smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ncnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164629833 719077716 /nfs/dbraw/zinc/07/77/16/719077716.db2.gz ZIXFUJAZFBACGG-JKSUJKDBSA-N 1 1 369.425 2.494 20 5 FEBDMO COc1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164724296 720370983 /nfs/dbraw/zinc/37/09/83/720370983.db2.gz JCYVTHALDRVIOY-HUUCEWRRSA-N 1 1 355.398 2.247 20 5 FEBDMO Cc1c(C)c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164771719 721149813 /nfs/dbraw/zinc/14/98/13/721149813.db2.gz SRGKFOWIDORSPP-IAGOWNOFSA-N 1 1 370.457 2.298 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1Cl ZINC001164928548 721858436 /nfs/dbraw/zinc/85/84/36/721858436.db2.gz OEYCUIHQQQOYRW-STQMWFEESA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1Cl ZINC001164928548 721858437 /nfs/dbraw/zinc/85/84/37/721858437.db2.gz OEYCUIHQQQOYRW-STQMWFEESA-N 1 1 353.854 2.166 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931229 721861347 /nfs/dbraw/zinc/86/13/47/721861347.db2.gz UJLZHTWBJSKPRQ-QZTJIDSGSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931229 721861349 /nfs/dbraw/zinc/86/13/49/721861349.db2.gz UJLZHTWBJSKPRQ-QZTJIDSGSA-N 1 1 355.442 2.358 20 5 FEBDMO O=[N+]([O-])c1cc2ccccc2nc1N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001164966621 722073701 /nfs/dbraw/zinc/07/37/01/722073701.db2.gz DRHRSPIVQUZAOQ-IYBDPMFKSA-N 1 1 354.410 2.442 20 5 FEBDMO O=C(CC[NH+]1CCN(c2nccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000026342329 539783535 /nfs/dbraw/zinc/78/35/35/539783535.db2.gz VOYHCKRKEWZXCA-UHFFFAOYSA-N 1 1 361.427 2.202 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000026852951 539794504 /nfs/dbraw/zinc/79/45/04/539794504.db2.gz KJTJFZIESNKDDU-MRXNPFEDSA-N 1 1 355.394 2.364 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032441007 539939565 /nfs/dbraw/zinc/93/95/65/539939565.db2.gz SJQWTFCGUUNRHB-STQMWFEESA-N 1 1 371.459 2.145 20 5 FEBDMO Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000045292627 540208991 /nfs/dbraw/zinc/20/89/91/540208991.db2.gz BHMYNLOTPAESBK-QGZVFWFLSA-N 1 1 371.437 2.465 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000047145467 540292856 /nfs/dbraw/zinc/29/28/56/540292856.db2.gz DNDAYUPLNBSOFY-CYBMUJFWSA-N 1 1 363.414 2.233 20 5 FEBDMO Cc1c(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049944383 540394589 /nfs/dbraw/zinc/39/45/89/540394589.db2.gz PGONRUUEANWGDL-CQSZACIVSA-N 1 1 362.342 2.437 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051043416 540420235 /nfs/dbraw/zinc/42/02/35/540420235.db2.gz AKYHPVRRLPRJPA-AWEZNQCLSA-N 1 1 362.430 2.162 20 5 FEBDMO CC(=O)NCC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000052849046 540493492 /nfs/dbraw/zinc/49/34/92/540493492.db2.gz YPXBGGWWVBWPLC-CYBMUJFWSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000550624267 674102861 /nfs/dbraw/zinc/10/28/61/674102861.db2.gz MJNRYXKLVFIFMO-LLVKDONJSA-N 1 1 352.416 2.023 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000056786191 540745671 /nfs/dbraw/zinc/74/56/71/540745671.db2.gz QUSBOIKOWVRSGM-LSDHHAIUSA-N 1 1 363.462 2.426 20 5 FEBDMO Cc1cc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000056965609 540758486 /nfs/dbraw/zinc/75/84/86/540758486.db2.gz IAAINKGKHATIFI-UHFFFAOYSA-N 1 1 368.437 2.455 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000060806913 541122107 /nfs/dbraw/zinc/12/21/07/541122107.db2.gz YATCLTRSJSNARL-UHFFFAOYSA-N 1 1 373.384 2.457 20 5 FEBDMO COC(=O)c1cc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000063725848 541181655 /nfs/dbraw/zinc/18/16/55/541181655.db2.gz ZICYJUIGFOXATR-UHFFFAOYSA-N 1 1 363.414 2.328 20 5 FEBDMO COc1ccc2c(c1)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000065162863 541228537 /nfs/dbraw/zinc/22/85/37/541228537.db2.gz DZWIOTFHJHAUCE-KRWDZBQOSA-N 1 1 358.394 2.401 20 5 FEBDMO CC(C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000066921717 541393625 /nfs/dbraw/zinc/39/36/25/541393625.db2.gz PSYHEERWZHSDIE-RKVPGOIHSA-N 1 1 363.458 2.387 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067398280 541457224 /nfs/dbraw/zinc/45/72/24/541457224.db2.gz ZTYJAKLJENDVCX-GXTWGEPZSA-N 1 1 362.430 2.078 20 5 FEBDMO CC(C)[C@@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCOCC1 ZINC000067826101 541518199 /nfs/dbraw/zinc/51/81/99/541518199.db2.gz NODIGPWRBLGQJC-GOSISDBHSA-N 1 1 374.441 2.023 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000069008756 541648064 /nfs/dbraw/zinc/64/80/64/541648064.db2.gz PKUKSICZOIPSGN-LLVKDONJSA-N 1 1 350.350 2.070 20 5 FEBDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665309 541847140 /nfs/dbraw/zinc/84/71/40/541847140.db2.gz OGPYXDWKVZCBMO-OAHLLOKOSA-N 1 1 356.382 2.463 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000072716329 541855301 /nfs/dbraw/zinc/85/53/01/541855301.db2.gz RKCBIRUNGKOPSO-HNNXBMFYSA-N 1 1 367.471 2.256 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072855640 541882231 /nfs/dbraw/zinc/88/22/31/541882231.db2.gz SYMGOWGTPFANNI-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO CC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858744 541883821 /nfs/dbraw/zinc/88/38/21/541883821.db2.gz NKJMJJCDBPWUSB-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858744 541883825 /nfs/dbraw/zinc/88/38/25/541883825.db2.gz NKJMJJCDBPWUSB-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO CCCNC(=O)C[N@@H+](CCC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063525864 205293139 /nfs/dbraw/zinc/29/31/39/205293139.db2.gz RXYWOMMZYBXYPE-UHFFFAOYSA-N 1 1 364.446 2.470 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078089158 542441317 /nfs/dbraw/zinc/44/13/17/542441317.db2.gz ONDWYKZZSATPEY-LJQANCHMSA-N 1 1 369.421 2.155 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078089158 542441322 /nfs/dbraw/zinc/44/13/22/542441322.db2.gz ONDWYKZZSATPEY-LJQANCHMSA-N 1 1 369.421 2.155 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000078455653 542462321 /nfs/dbraw/zinc/46/23/21/542462321.db2.gz MNSUVGMBJUKAAY-CYBMUJFWSA-N 1 1 355.460 2.309 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)CCO1 ZINC000083171184 542692953 /nfs/dbraw/zinc/69/29/53/542692953.db2.gz ANFKFRFHNYUSCR-CYBMUJFWSA-N 1 1 360.414 2.421 20 5 FEBDMO C[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000087190355 542743327 /nfs/dbraw/zinc/74/33/27/542743327.db2.gz WIWKRRZQNICIRP-UHFFFAOYSA-N 1 1 356.220 2.110 20 5 FEBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000802134112 674162750 /nfs/dbraw/zinc/16/27/50/674162750.db2.gz FBYZVMIXLYRQJO-OCCSQVGLSA-N 1 1 354.378 2.490 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000089923513 542772731 /nfs/dbraw/zinc/77/27/31/542772731.db2.gz NCPWZZKRVVYRFE-UHFFFAOYSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1cc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000089960000 542776753 /nfs/dbraw/zinc/77/67/53/542776753.db2.gz ITDNAKQUSUVSPN-MOPGFXCFSA-N 1 1 369.421 2.268 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092659950 542878034 /nfs/dbraw/zinc/87/80/34/542878034.db2.gz BETHIJABBHMUTH-AWEZNQCLSA-N 1 1 371.441 2.473 20 5 FEBDMO Cc1nn(Cc2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000110652549 543363717 /nfs/dbraw/zinc/36/37/17/543363717.db2.gz UZXRCGYYRKARFS-INIZCTEOSA-N 1 1 371.441 2.138 20 5 FEBDMO CSc1ccc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000110867360 543371223 /nfs/dbraw/zinc/37/12/23/543371223.db2.gz JIICKSQSCLMCLL-UHFFFAOYSA-N 1 1 366.487 2.026 20 5 FEBDMO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112991538 543471731 /nfs/dbraw/zinc/47/17/31/543471731.db2.gz CIZFXGVYOPMELQ-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112991538 543471732 /nfs/dbraw/zinc/47/17/32/543471732.db2.gz CIZFXGVYOPMELQ-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000113197814 543476438 /nfs/dbraw/zinc/47/64/38/543476438.db2.gz LDQQSNKRBYMXCO-AWEZNQCLSA-N 1 1 365.430 2.363 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000114140737 543505360 /nfs/dbraw/zinc/50/53/60/543505360.db2.gz VNQFVQWCJKCCIB-MDZDMXLPSA-N 1 1 360.458 2.142 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247477463 549340534 /nfs/dbraw/zinc/34/05/34/549340534.db2.gz SNBPUIWIOPPKRE-SUMWQHHRSA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247479921 549341378 /nfs/dbraw/zinc/34/13/78/549341378.db2.gz SRHRDORYWPLEHI-CXAGYDPISA-N 1 1 357.414 2.193 20 5 FEBDMO CCOc1ccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000123090254 543741231 /nfs/dbraw/zinc/74/12/31/543741231.db2.gz YXVRROSAPCOSOB-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H](C)O1 ZINC000247485049 549342639 /nfs/dbraw/zinc/34/26/39/549342639.db2.gz GERTYSQYRNOALR-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO CC(C)c1[nH+]ccn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000123603781 543772068 /nfs/dbraw/zinc/77/20/68/543772068.db2.gz RBNLBVBUOVQWAZ-UHFFFAOYSA-N 1 1 357.414 2.264 20 5 FEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000124057548 543798664 /nfs/dbraw/zinc/79/86/64/543798664.db2.gz WYXCQZYGSYXCBA-VHSXEESVSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000124057548 543798668 /nfs/dbraw/zinc/79/86/68/543798668.db2.gz WYXCQZYGSYXCBA-VHSXEESVSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000125446772 543881956 /nfs/dbraw/zinc/88/19/56/543881956.db2.gz OIOLPBWAFZJZJQ-BETUJISGSA-N 1 1 367.421 2.280 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000125446772 543881959 /nfs/dbraw/zinc/88/19/59/543881959.db2.gz OIOLPBWAFZJZJQ-BETUJISGSA-N 1 1 367.421 2.280 20 5 FEBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636953 543948234 /nfs/dbraw/zinc/94/82/34/543948234.db2.gz ZVSFFWKBCYWUMT-WFASDCNBSA-N 1 1 361.446 2.359 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636953 543948236 /nfs/dbraw/zinc/94/82/36/543948236.db2.gz ZVSFFWKBCYWUMT-WFASDCNBSA-N 1 1 361.446 2.359 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636953 543948239 /nfs/dbraw/zinc/94/82/39/543948239.db2.gz ZVSFFWKBCYWUMT-WFASDCNBSA-N 1 1 361.446 2.359 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128659335 544065096 /nfs/dbraw/zinc/06/50/96/544065096.db2.gz GQXNOKXMGJBNDE-CHWSQXEVSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128659335 544065099 /nfs/dbraw/zinc/06/50/99/544065099.db2.gz GQXNOKXMGJBNDE-CHWSQXEVSA-N 1 1 353.806 2.231 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128522335 544057869 /nfs/dbraw/zinc/05/78/69/544057869.db2.gz KHKULOYRTLHOJD-INIZCTEOSA-N 1 1 362.430 2.160 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000129963695 544133212 /nfs/dbraw/zinc/13/32/12/544133212.db2.gz VCRZEQCLMYALPD-TZMCWYRMSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000129963695 544133213 /nfs/dbraw/zinc/13/32/13/544133213.db2.gz VCRZEQCLMYALPD-TZMCWYRMSA-N 1 1 363.805 2.157 20 5 FEBDMO CC[N@@H+](Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1)C1CC1 ZINC000130002439 544134846 /nfs/dbraw/zinc/13/48/46/544134846.db2.gz YWUFMXJIFKUHFH-UHFFFAOYSA-N 1 1 357.414 2.206 20 5 FEBDMO CCOC(=O)c1ccnc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000132555573 544235493 /nfs/dbraw/zinc/23/54/93/544235493.db2.gz SALLVZPSQJZRDH-CYBMUJFWSA-N 1 1 373.413 2.359 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000133630228 544277659 /nfs/dbraw/zinc/27/76/59/544277659.db2.gz HMRNTMRUALXUAT-HNNXBMFYSA-N 1 1 362.430 2.398 20 5 FEBDMO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141575784 544413521 /nfs/dbraw/zinc/41/35/21/544413521.db2.gz MTNZBZQZMADMHW-QGZVFWFLSA-N 1 1 355.398 2.091 20 5 FEBDMO C[C@@H](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000151203269 544515962 /nfs/dbraw/zinc/51/59/62/544515962.db2.gz LYWZBQKCLRRFMI-HNNXBMFYSA-N 1 1 374.445 2.001 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000152709054 544686796 /nfs/dbraw/zinc/68/67/96/544686796.db2.gz WOCDLBNMJFPINI-QLFBSQMISA-N 1 1 369.487 2.381 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000152918363 544712128 /nfs/dbraw/zinc/71/21/28/544712128.db2.gz KDDJIMQZJFBVFS-KGLIPLIRSA-N 1 1 353.444 2.008 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000153235399 544749998 /nfs/dbraw/zinc/74/99/98/544749998.db2.gz RDXLSWSGZAQYNL-YJBOKZPZSA-N 1 1 363.458 2.283 20 5 FEBDMO O=C1C[C@H](c2ccccc2)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000153880623 544834635 /nfs/dbraw/zinc/83/46/35/544834635.db2.gz CORHVHJEAADZCN-MSOLQXFVSA-N 1 1 355.394 2.191 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000553280058 674250122 /nfs/dbraw/zinc/25/01/22/674250122.db2.gz QDGURRWEURAHFF-OLZOCXBDSA-N 1 1 350.419 2.760 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000187332545 328017223 /nfs/dbraw/zinc/01/72/23/328017223.db2.gz PQVAWLACGGITJS-INIZCTEOSA-N 1 1 352.431 2.352 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188720442 328106592 /nfs/dbraw/zinc/10/65/92/328106592.db2.gz BEOJBTJDTWCEMP-GOFCXVBSSA-N 1 1 361.442 2.302 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](O)C(F)(F)F ZINC000189456817 328149485 /nfs/dbraw/zinc/14/94/85/328149485.db2.gz SFHGOBNOYSGJDH-ZDUSSCGKSA-N 1 1 363.336 2.477 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000189554271 328154698 /nfs/dbraw/zinc/15/46/98/328154698.db2.gz DVOJTIFYXPWXGX-UONOGXRCSA-N 1 1 360.414 2.137 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189794326 328168287 /nfs/dbraw/zinc/16/82/87/328168287.db2.gz CCOFUZXFBOARLS-INIZCTEOSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189794326 328168288 /nfs/dbraw/zinc/16/82/88/328168288.db2.gz CCOFUZXFBOARLS-INIZCTEOSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189794349 328168420 /nfs/dbraw/zinc/16/84/20/328168420.db2.gz CCOFUZXFBOARLS-MRXNPFEDSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189794349 328168421 /nfs/dbraw/zinc/16/84/21/328168421.db2.gz CCOFUZXFBOARLS-MRXNPFEDSA-N 1 1 362.430 2.078 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000191687066 328277250 /nfs/dbraw/zinc/27/72/50/328277250.db2.gz CQCREJODGFSCPR-UHFFFAOYSA-N 1 1 359.430 2.452 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)n1 ZINC000191794720 328282268 /nfs/dbraw/zinc/28/22/68/328282268.db2.gz PZVXRZVGVYLOJN-ZDUSSCGKSA-N 1 1 361.402 2.280 20 5 FEBDMO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000078511715 325049822 /nfs/dbraw/zinc/04/98/22/325049822.db2.gz UEQUJSAETBODGZ-HUUCEWRRSA-N 1 1 364.446 2.012 20 5 FEBDMO COCCOC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000116884009 326039813 /nfs/dbraw/zinc/03/98/13/326039813.db2.gz PSPRQBRIBRMQOU-UHFFFAOYSA-N 1 1 362.386 2.272 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000119041939 326120954 /nfs/dbraw/zinc/12/09/54/326120954.db2.gz RJKBSFBANPSGFH-UHFFFAOYSA-N 1 1 366.443 2.427 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000119061784 326123197 /nfs/dbraw/zinc/12/31/97/326123197.db2.gz XIOFQZOUIPXMLS-AWEZNQCLSA-N 1 1 370.475 2.165 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000120131362 326233013 /nfs/dbraw/zinc/23/30/13/326233013.db2.gz XLSRYHBMBTXESK-ZTFGCOKTSA-N 1 1 359.426 2.104 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000120131501 326233062 /nfs/dbraw/zinc/23/30/62/326233062.db2.gz XLSRYHBMBTXESK-OLMNPRSZSA-N 1 1 359.426 2.104 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000120322358 326249705 /nfs/dbraw/zinc/24/97/05/326249705.db2.gz KWAXBUBKWKTARC-CQSZACIVSA-N 1 1 355.460 2.241 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000161774750 327008807 /nfs/dbraw/zinc/00/88/07/327008807.db2.gz DAKOQBRBKXAPDD-UHFFFAOYSA-N 1 1 366.381 2.137 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000162230175 327020383 /nfs/dbraw/zinc/02/03/83/327020383.db2.gz TVXFTXLEZDSSKK-IYBDPMFKSA-N 1 1 360.458 2.225 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)CNc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000162683890 327031894 /nfs/dbraw/zinc/03/18/94/327031894.db2.gz NAMSSVJXTFQEHD-UHFFFAOYSA-N 1 1 355.398 2.059 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000163378862 327049933 /nfs/dbraw/zinc/04/99/33/327049933.db2.gz OBAXFFQDESERQJ-IBGZPJMESA-N 1 1 371.441 2.421 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000164529381 327071434 /nfs/dbraw/zinc/07/14/34/327071434.db2.gz KNYOHBOOBPVGIY-OAHLLOKOSA-N 1 1 357.414 2.113 20 5 FEBDMO COc1cc(C[NH2+]CC(=O)N(C)C)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000171127647 327119954 /nfs/dbraw/zinc/11/99/54/327119954.db2.gz MEEREINOSUDTTF-UHFFFAOYSA-N 1 1 373.409 2.360 20 5 FEBDMO CCc1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1[N+](=O)[O-] ZINC000171276689 327129213 /nfs/dbraw/zinc/12/92/13/327129213.db2.gz KPVWOTLGORUJIK-UHFFFAOYSA-N 1 1 372.360 2.444 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000171620028 327148593 /nfs/dbraw/zinc/14/85/93/327148593.db2.gz ZBINQPFSSZRDOG-CQSZACIVSA-N 1 1 357.414 2.391 20 5 FEBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1[N+](=O)[O-] ZINC000171677992 327154470 /nfs/dbraw/zinc/15/44/70/327154470.db2.gz AUHKISCZVHVJBL-UHFFFAOYSA-N 1 1 363.393 2.223 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000171680561 327154539 /nfs/dbraw/zinc/15/45/39/327154539.db2.gz BZNUPFCCCMNXNI-AWEZNQCLSA-N 1 1 363.462 2.464 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000171774815 327160926 /nfs/dbraw/zinc/16/09/26/327160926.db2.gz NQIPHLNQFKAHKF-LBPRGKRZSA-N 1 1 357.414 2.057 20 5 FEBDMO COC(=O)c1cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000172832483 327221467 /nfs/dbraw/zinc/22/14/67/327221467.db2.gz JVFMUWBQAPNJLW-OAHLLOKOSA-N 1 1 363.414 2.328 20 5 FEBDMO Cc1c(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000173282692 327246915 /nfs/dbraw/zinc/24/69/15/327246915.db2.gz LBCSGHNZXHADBY-CABCVRRESA-N 1 1 374.441 2.315 20 5 FEBDMO C[NH+]1CCN([C@H]2CCCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173288908 327247545 /nfs/dbraw/zinc/24/75/45/327247545.db2.gz PRKSLGMPLYKDHJ-SGQUHAKNSA-N 1 1 372.469 2.237 20 5 FEBDMO CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173578546 327268347 /nfs/dbraw/zinc/26/83/47/327268347.db2.gz WIXDKFBZNBICHB-OAHLLOKOSA-N 1 1 365.430 2.315 20 5 FEBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173578546 327268349 /nfs/dbraw/zinc/26/83/49/327268349.db2.gz WIXDKFBZNBICHB-OAHLLOKOSA-N 1 1 365.430 2.315 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000173949499 327297040 /nfs/dbraw/zinc/29/70/40/327297040.db2.gz GAKPXLKWTBTADE-AWEZNQCLSA-N 1 1 355.460 2.256 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174027434 327302388 /nfs/dbraw/zinc/30/23/88/327302388.db2.gz GQANGJZVLRHECZ-LLVKDONJSA-N 1 1 361.851 2.211 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000174142701 327308709 /nfs/dbraw/zinc/30/87/09/327308709.db2.gz QLSACOCVDONMHI-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CCc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000174205300 327312961 /nfs/dbraw/zinc/31/29/61/327312961.db2.gz AMWDUYZCMQRMTP-SFHVURJKSA-N 1 1 374.485 2.399 20 5 FEBDMO CCOc1ccc([C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174708732 327344745 /nfs/dbraw/zinc/34/47/45/327344745.db2.gz KZJCKZNTGMGTDI-FUHWJXTLSA-N 1 1 360.414 2.388 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174941780 327362470 /nfs/dbraw/zinc/36/24/70/327362470.db2.gz DOCHTOUBWHWVPF-QGZVFWFLSA-N 1 1 371.441 2.080 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000175130590 327375844 /nfs/dbraw/zinc/37/58/44/327375844.db2.gz JHLKFLMAMMEMHR-DZGCQCFKSA-N 1 1 355.460 2.172 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000264369837 329015443 /nfs/dbraw/zinc/01/54/43/329015443.db2.gz CMSQYGAPWBTMEH-BBVFFXRHSA-N 1 1 372.469 2.237 20 5 FEBDMO COC(=O)[C@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000265109204 329091894 /nfs/dbraw/zinc/09/18/94/329091894.db2.gz ZPEJHXATHKQMHD-SWLSCSKDSA-N 1 1 361.398 2.197 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000265131259 329094550 /nfs/dbraw/zinc/09/45/50/329094550.db2.gz RMFRQTYWJCTVDJ-UHFFFAOYSA-N 1 1 374.441 2.489 20 5 FEBDMO C[C@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000265753086 329156844 /nfs/dbraw/zinc/15/68/44/329156844.db2.gz XHLJWSROKZOGGR-KGLIPLIRSA-N 1 1 367.471 2.160 20 5 FEBDMO COc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160135 329391919 /nfs/dbraw/zinc/39/19/19/329391919.db2.gz VKCRFPAIPCAGRV-YPMHNXCESA-N 1 1 351.403 2.071 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000273480497 329868278 /nfs/dbraw/zinc/86/82/78/329868278.db2.gz KDAUGPDIRUBDEO-OAHLLOKOSA-N 1 1 369.468 2.379 20 5 FEBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000273585443 329876772 /nfs/dbraw/zinc/87/67/72/329876772.db2.gz PTCHGJDXYFMCRI-LLVKDONJSA-N 1 1 353.375 2.253 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000275869496 330098066 /nfs/dbraw/zinc/09/80/66/330098066.db2.gz NYOOYHDNWVPCJT-MQMHXKEQSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOCCOCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000276138461 330122914 /nfs/dbraw/zinc/12/29/14/330122914.db2.gz DSUSVYVDHQUGKA-UHFFFAOYSA-N 1 1 353.419 2.217 20 5 FEBDMO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000375783089 330251173 /nfs/dbraw/zinc/25/11/73/330251173.db2.gz BIRLZXVUEGKQJR-RDJZCZTQSA-N 1 1 363.414 2.464 20 5 FEBDMO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000375783089 330251174 /nfs/dbraw/zinc/25/11/74/330251174.db2.gz BIRLZXVUEGKQJR-RDJZCZTQSA-N 1 1 363.414 2.464 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426236375 330271287 /nfs/dbraw/zinc/27/12/87/330271287.db2.gz FYWZEFNYMAVRQG-GDBMZVCRSA-N 1 1 351.403 2.167 20 5 FEBDMO COCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433178013 330275056 /nfs/dbraw/zinc/27/50/56/330275056.db2.gz BJXMFVSWWTZRNP-CQSZACIVSA-N 1 1 353.444 2.038 20 5 FEBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000440854973 330277491 /nfs/dbraw/zinc/27/74/91/330277491.db2.gz BFUFBYZGJBNISM-LLVKDONJSA-N 1 1 361.851 2.319 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000554555288 674323603 /nfs/dbraw/zinc/32/36/03/674323603.db2.gz PFAGLIWGWUVAHL-HNNXBMFYSA-N 1 1 350.419 2.147 20 5 FEBDMO C[C@@H](C[NH+](C)C)NCc1cc(I)cc([N+](=O)[O-])c1 ZINC000554975461 674344079 /nfs/dbraw/zinc/34/40/79/674344079.db2.gz JVTPJICUHUDFDO-VIFPVBQESA-N 1 1 363.199 2.239 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1nncn1C ZINC000157016969 545690603 /nfs/dbraw/zinc/69/06/03/545690603.db2.gz UTDSJUNJUOPXMM-HNNXBMFYSA-N 1 1 358.402 2.197 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nncn1C ZINC000157016969 545690604 /nfs/dbraw/zinc/69/06/04/545690604.db2.gz UTDSJUNJUOPXMM-HNNXBMFYSA-N 1 1 358.402 2.197 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000157306515 545726246 /nfs/dbraw/zinc/72/62/46/545726246.db2.gz QFWBOVPZEVXOOU-DOMZBBRYSA-N 1 1 351.378 2.055 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000158643803 545880893 /nfs/dbraw/zinc/88/08/93/545880893.db2.gz RSSQIQFXOVQRNQ-CYBMUJFWSA-N 1 1 353.444 2.232 20 5 FEBDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000159399113 545950107 /nfs/dbraw/zinc/95/01/07/545950107.db2.gz RHJIWAJEEKSWHJ-OAHLLOKOSA-N 1 1 355.460 2.197 20 5 FEBDMO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000159455711 545955381 /nfs/dbraw/zinc/95/53/81/545955381.db2.gz NHZDCGUNQAXHGQ-QWRGUYRKSA-N 1 1 364.427 2.358 20 5 FEBDMO C[C@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000159455711 545955382 /nfs/dbraw/zinc/95/53/82/545955382.db2.gz NHZDCGUNQAXHGQ-QWRGUYRKSA-N 1 1 364.427 2.358 20 5 FEBDMO CC1CC[NH+](Cc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)CC1 ZINC000159738069 545976451 /nfs/dbraw/zinc/97/64/51/545976451.db2.gz RWOMDYLNWMHYNN-UHFFFAOYSA-N 1 1 357.414 2.480 20 5 FEBDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000162275735 546137242 /nfs/dbraw/zinc/13/72/42/546137242.db2.gz SCWHWNBUYMODMA-ZDUSSCGKSA-N 1 1 363.414 2.249 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccc(F)cc1 ZINC000176916342 546508206 /nfs/dbraw/zinc/50/82/06/546508206.db2.gz IFMJFNQONNOJRV-UHFFFAOYSA-N 1 1 373.431 2.206 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccc(F)cc1 ZINC000176916342 546508213 /nfs/dbraw/zinc/50/82/13/546508213.db2.gz IFMJFNQONNOJRV-UHFFFAOYSA-N 1 1 373.431 2.206 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(Cc3cccc(O)c3)CC2)cc1 ZINC000177788254 546687143 /nfs/dbraw/zinc/68/71/43/546687143.db2.gz YNALLACFSKBPFZ-UHFFFAOYSA-N 1 1 357.410 2.497 20 5 FEBDMO Nc1c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000178163018 546749138 /nfs/dbraw/zinc/74/91/38/546749138.db2.gz PVUSJOLWCSQZOU-UHFFFAOYSA-N 1 1 354.410 2.355 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481379478 561231668 /nfs/dbraw/zinc/23/16/68/561231668.db2.gz ZSOMTSZZCZAMCU-CQSZACIVSA-N 1 1 355.460 2.364 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000178926244 546875191 /nfs/dbraw/zinc/87/51/91/546875191.db2.gz ABUDMRGVSUMBSF-CJNGLKHVSA-N 1 1 353.444 2.008 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000481727495 561239784 /nfs/dbraw/zinc/23/97/84/561239784.db2.gz VLCKCDXLPTVAOF-ZIAGYGMSSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000481727495 561239785 /nfs/dbraw/zinc/23/97/85/561239785.db2.gz VLCKCDXLPTVAOF-ZIAGYGMSSA-N 1 1 352.387 2.146 20 5 FEBDMO Cc1cnc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000481741739 561240405 /nfs/dbraw/zinc/24/04/05/561240405.db2.gz XYNZPCPQDICHBN-UHFFFAOYSA-N 1 1 370.409 2.021 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179071518 546895104 /nfs/dbraw/zinc/89/51/04/546895104.db2.gz YGLACUGSJONXDI-UHFFFAOYSA-N 1 1 352.416 2.030 20 5 FEBDMO C[N@H+]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000481829957 561243371 /nfs/dbraw/zinc/24/33/71/561243371.db2.gz MZBLZMMYPFELSH-SJLPKXTDSA-N 1 1 357.385 2.490 20 5 FEBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000180103835 547052486 /nfs/dbraw/zinc/05/24/86/547052486.db2.gz LSRYTQRVKXNOCN-CZUORRHYSA-N 1 1 357.414 2.446 20 5 FEBDMO Cc1nccc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000482860237 561261607 /nfs/dbraw/zinc/26/16/07/561261607.db2.gz AFQIEARTHQWBMV-UHFFFAOYSA-N 1 1 367.413 2.282 20 5 FEBDMO CC(C)[C@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000182498354 547503455 /nfs/dbraw/zinc/50/34/55/547503455.db2.gz XHZQCRTXRZKDOK-DYVFJYSZSA-N 1 1 367.421 2.310 20 5 FEBDMO CCC(CC)[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000183547885 547679411 /nfs/dbraw/zinc/67/94/11/547679411.db2.gz ZBYAFYPRKJCVBL-HNNXBMFYSA-N 1 1 365.434 2.248 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184640576 547859409 /nfs/dbraw/zinc/85/94/09/547859409.db2.gz LBIHWAADZUUTFX-HNNXBMFYSA-N 1 1 363.462 2.359 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000184733922 547871891 /nfs/dbraw/zinc/87/18/91/547871891.db2.gz RFOZKWAVNNPNNL-LBPRGKRZSA-N 1 1 359.423 2.005 20 5 FEBDMO CC[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000184921783 547901327 /nfs/dbraw/zinc/90/13/27/547901327.db2.gz VHANRDYZNPPOFQ-KRWDZBQOSA-N 1 1 371.441 2.304 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c([N+](=O)[O-])c1 ZINC000193888348 548401214 /nfs/dbraw/zinc/40/12/14/548401214.db2.gz HWTJTEFXCMDZNW-CYBMUJFWSA-N 1 1 372.385 2.420 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c([N+](=O)[O-])c1 ZINC000193888348 548401217 /nfs/dbraw/zinc/40/12/17/548401217.db2.gz HWTJTEFXCMDZNW-CYBMUJFWSA-N 1 1 372.385 2.420 20 5 FEBDMO Cc1cc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000193956526 548413675 /nfs/dbraw/zinc/41/36/75/548413675.db2.gz KMICLMNCRZCKFT-OKILXGFUSA-N 1 1 350.419 2.476 20 5 FEBDMO Cc1cc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000193956526 548413678 /nfs/dbraw/zinc/41/36/78/548413678.db2.gz KMICLMNCRZCKFT-OKILXGFUSA-N 1 1 350.419 2.476 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000194882376 548544335 /nfs/dbraw/zinc/54/43/35/548544335.db2.gz DFSZIJRFYNBCSZ-CYBMUJFWSA-N 1 1 360.418 2.147 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440974 548922023 /nfs/dbraw/zinc/92/20/23/548922023.db2.gz VCWNVIPCCCETAP-XJKSGUPXSA-N 1 1 364.446 2.204 20 5 FEBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245663125 548969470 /nfs/dbraw/zinc/96/94/70/548969470.db2.gz QFMJIGDAELKLPM-DLBZAZTESA-N 1 1 361.423 2.319 20 5 FEBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245663125 548969473 /nfs/dbraw/zinc/96/94/73/548969473.db2.gz QFMJIGDAELKLPM-DLBZAZTESA-N 1 1 361.423 2.319 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245742090 548985502 /nfs/dbraw/zinc/98/55/02/548985502.db2.gz FEDOAPYAXYIXQU-DZGCQCFKSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000246556558 549161540 /nfs/dbraw/zinc/16/15/40/549161540.db2.gz KSTSXWQPPVSDHV-WBVHZDCISA-N 1 1 372.425 2.224 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+]1CCSCC1 ZINC000488915117 561399465 /nfs/dbraw/zinc/39/94/65/561399465.db2.gz JTLOHKKTILVKBS-LLVKDONJSA-N 1 1 373.862 2.181 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246937495 549246959 /nfs/dbraw/zinc/24/69/59/549246959.db2.gz XIHKBYNPKMWYFW-YJBOKZPZSA-N 1 1 363.458 2.391 20 5 FEBDMO CC[C@@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000246957585 549251817 /nfs/dbraw/zinc/25/18/17/549251817.db2.gz IKQVSAVFXJFUAI-DZGCQCFKSA-N 1 1 350.419 2.212 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247020186 549266199 /nfs/dbraw/zinc/26/61/99/549266199.db2.gz ZJXVNPXCRRYJQK-DCGLDWPTSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247020186 549266204 /nfs/dbraw/zinc/26/62/04/549266204.db2.gz ZJXVNPXCRRYJQK-DCGLDWPTSA-N 1 1 363.414 2.431 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000248053313 549404056 /nfs/dbraw/zinc/40/40/56/549404056.db2.gz WVFZPTOCOZOZFZ-NSHDSACASA-N 1 1 359.835 2.025 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000489304939 561407522 /nfs/dbraw/zinc/40/75/22/561407522.db2.gz JUYLJSHWQIKTBJ-AWEZNQCLSA-N 1 1 351.403 2.024 20 5 FEBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCO[C@H]1C ZINC000489437018 561410963 /nfs/dbraw/zinc/41/09/63/561410963.db2.gz FQMZBPXPFPHKTN-BLLLJJGKSA-N 1 1 352.387 2.087 20 5 FEBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCO[C@H]1C ZINC000489437018 561410964 /nfs/dbraw/zinc/41/09/64/561410964.db2.gz FQMZBPXPFPHKTN-BLLLJJGKSA-N 1 1 352.387 2.087 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000249709098 549617133 /nfs/dbraw/zinc/61/71/33/549617133.db2.gz SJECJCAAXNQLJZ-NWDGAFQWSA-N 1 1 359.423 2.133 20 5 FEBDMO C[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000249832749 549632523 /nfs/dbraw/zinc/63/25/23/549632523.db2.gz PUXLQLUTHTVPGG-UYAOXDASSA-N 1 1 371.437 2.323 20 5 FEBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261691361 549743382 /nfs/dbraw/zinc/74/33/82/549743382.db2.gz IJAWDMBERCKQKE-ZDUSSCGKSA-N 1 1 371.422 2.330 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000266074196 550016834 /nfs/dbraw/zinc/01/68/34/550016834.db2.gz DHOSCRQNJWZJHX-MRXNPFEDSA-N 1 1 373.413 2.163 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000266074196 550016836 /nfs/dbraw/zinc/01/68/36/550016836.db2.gz DHOSCRQNJWZJHX-MRXNPFEDSA-N 1 1 373.413 2.163 20 5 FEBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000491287522 561444489 /nfs/dbraw/zinc/44/44/89/561444489.db2.gz YTTMFTSTNLVUNR-LJQANCHMSA-N 1 1 374.416 2.389 20 5 FEBDMO CC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000268462431 550069753 /nfs/dbraw/zinc/06/97/53/550069753.db2.gz FKKBPFUVNQELMC-JQWIXIFHSA-N 1 1 373.251 2.034 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000494005735 561460657 /nfs/dbraw/zinc/46/06/57/561460657.db2.gz CGQCXFHXIGIFNP-ZFWWWQNUSA-N 1 1 357.414 2.204 20 5 FEBDMO COC(=O)N1CCC([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272494725 550453161 /nfs/dbraw/zinc/45/31/61/550453161.db2.gz FPVOXEZFGCEFCI-INIZCTEOSA-N 1 1 373.413 2.238 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)n1 ZINC000272691283 550465223 /nfs/dbraw/zinc/46/52/23/550465223.db2.gz FPVLWWBMYGSFDM-UHFFFAOYSA-N 1 1 356.361 2.174 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)n1 ZINC000272691283 550465224 /nfs/dbraw/zinc/46/52/24/550465224.db2.gz FPVLWWBMYGSFDM-UHFFFAOYSA-N 1 1 356.361 2.174 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000273105229 550485064 /nfs/dbraw/zinc/48/50/64/550485064.db2.gz MXDQBCULFCXTCA-KRWDZBQOSA-N 1 1 369.421 2.400 20 5 FEBDMO CCc1cc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc(C)[nH+]1 ZINC000273200720 550489439 /nfs/dbraw/zinc/48/94/39/550489439.db2.gz FABPZKKAUDWLHM-UHFFFAOYSA-N 1 1 350.400 2.141 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000276767597 550593754 /nfs/dbraw/zinc/59/37/54/550593754.db2.gz HVRYASHYSFJWPV-KRWDZBQOSA-N 1 1 369.425 2.192 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000277709324 550704696 /nfs/dbraw/zinc/70/46/96/550704696.db2.gz WNLYEZIXOMVPSC-LBPRGKRZSA-N 1 1 355.822 2.479 20 5 FEBDMO C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754036 550710201 /nfs/dbraw/zinc/71/02/01/550710201.db2.gz RTRQPFSODYBJMU-GJZGRUSLSA-N 1 1 364.446 2.456 20 5 FEBDMO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000277866547 550723359 /nfs/dbraw/zinc/72/33/59/550723359.db2.gz UNYUUGBHLDEUTM-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO CCC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000277866547 550723360 /nfs/dbraw/zinc/72/33/60/550723360.db2.gz UNYUUGBHLDEUTM-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799872 550823459 /nfs/dbraw/zinc/82/34/59/550823459.db2.gz XOQSTOYLTMVSHF-LRDDRELGSA-N 1 1 372.429 2.097 20 5 FEBDMO O=C1C[C@]2(CC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CN1 ZINC000279405343 550886294 /nfs/dbraw/zinc/88/62/94/550886294.db2.gz LJADJWLOMAZEDL-CQSZACIVSA-N 1 1 354.204 2.069 20 5 FEBDMO O=C1C[C@]2(CC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CN1 ZINC000279405343 550886296 /nfs/dbraw/zinc/88/62/96/550886296.db2.gz LJADJWLOMAZEDL-CQSZACIVSA-N 1 1 354.204 2.069 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510485 550898442 /nfs/dbraw/zinc/89/84/42/550898442.db2.gz UHFULMJGAREVSF-FZMZJTMJSA-N 1 1 352.410 2.212 20 5 FEBDMO C[C@H]1OCC[C@]12C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000279600334 550907474 /nfs/dbraw/zinc/90/74/74/550907474.db2.gz DLCWYGIYUWINLM-KUHUBIRLSA-N 1 1 372.425 2.375 20 5 FEBDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000279600334 550907475 /nfs/dbraw/zinc/90/74/75/550907475.db2.gz DLCWYGIYUWINLM-KUHUBIRLSA-N 1 1 372.425 2.375 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000279927766 550943716 /nfs/dbraw/zinc/94/37/16/550943716.db2.gz WPLPOAYSGUEEHH-QWHCGFSZSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000279927766 550943717 /nfs/dbraw/zinc/94/37/17/550943717.db2.gz WPLPOAYSGUEEHH-QWHCGFSZSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000279927768 550943792 /nfs/dbraw/zinc/94/37/92/550943792.db2.gz WPLPOAYSGUEEHH-STQMWFEESA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000279927768 550943794 /nfs/dbraw/zinc/94/37/94/550943794.db2.gz WPLPOAYSGUEEHH-STQMWFEESA-N 1 1 351.403 2.167 20 5 FEBDMO NC(=O)c1ccc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000280586486 551010424 /nfs/dbraw/zinc/01/04/24/551010424.db2.gz WNYBFLAMYVWPFP-CALCHBBNSA-N 1 1 366.421 2.262 20 5 FEBDMO C[N@H+]1CCN(CCNc2c(Br)cncc2[N+](=O)[O-])CC1(C)C ZINC000281773972 551141755 /nfs/dbraw/zinc/14/17/55/551141755.db2.gz ZWTJMXMOKDPTFH-UHFFFAOYSA-N 1 1 372.267 2.190 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281892479 551153980 /nfs/dbraw/zinc/15/39/80/551153980.db2.gz YHRMJQWSOFADLY-UHFFFAOYSA-N 1 1 362.474 2.276 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)O1 ZINC000282506737 551239003 /nfs/dbraw/zinc/23/90/03/551239003.db2.gz ROCLMOAQJKZRIH-DXEWXGHRSA-N 1 1 364.398 2.157 20 5 FEBDMO CS(=O)(=O)c1cccc(N[C@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000497554944 561503693 /nfs/dbraw/zinc/50/36/93/561503693.db2.gz NWCJRJWYBWAOQD-LBPRGKRZSA-N 1 1 353.444 2.427 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000498078188 561515657 /nfs/dbraw/zinc/51/56/57/561515657.db2.gz PFPCUSGSIVEUBC-LBPRGKRZSA-N 1 1 358.398 2.310 20 5 FEBDMO C[N@@H+]1CC[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284271746 551512486 /nfs/dbraw/zinc/51/24/86/551512486.db2.gz MUXWWSDOZLCLJW-SJLPKXTDSA-N 1 1 354.410 2.229 20 5 FEBDMO C[N@H+]1CC[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284271746 551512487 /nfs/dbraw/zinc/51/24/87/551512487.db2.gz MUXWWSDOZLCLJW-SJLPKXTDSA-N 1 1 354.410 2.229 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000284412466 551543838 /nfs/dbraw/zinc/54/38/38/551543838.db2.gz NYIUPZVFPMLVEO-BZNIZROVSA-N 1 1 362.405 2.405 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000498582585 561529509 /nfs/dbraw/zinc/52/95/09/561529509.db2.gz DHONXYPGMOSHMI-KGLIPLIRSA-N 1 1 357.414 2.335 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000498709904 561532343 /nfs/dbraw/zinc/53/23/43/561532343.db2.gz MOYXJRJOWYEFCE-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)[S@@]1=O ZINC000286205142 551860946 /nfs/dbraw/zinc/86/09/46/551860946.db2.gz YCFZRFOMMSTTDK-USCZKRCMSA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)[S@@]1=O ZINC000286205142 551860948 /nfs/dbraw/zinc/86/09/48/551860948.db2.gz YCFZRFOMMSTTDK-USCZKRCMSA-N 1 1 367.471 2.463 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCC[N@@H+](C)Cc2ccco2)n1 ZINC000286319710 551873689 /nfs/dbraw/zinc/87/36/89/551873689.db2.gz INJWLRBOBXJYEV-UHFFFAOYSA-N 1 1 362.386 2.328 20 5 FEBDMO C[NH+](C)CCOCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000499255618 561546826 /nfs/dbraw/zinc/54/68/26/561546826.db2.gz WZKASWPBMFNJOL-UHFFFAOYSA-N 1 1 350.444 2.386 20 5 FEBDMO CC(=O)c1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000287146339 551969165 /nfs/dbraw/zinc/96/91/65/551969165.db2.gz GAXSCEYZEVCLGF-QGZVFWFLSA-N 1 1 360.458 2.404 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287843330 552053700 /nfs/dbraw/zinc/05/37/00/552053700.db2.gz RQGQAZVOJNVBCZ-UHFFFAOYSA-N 1 1 351.432 2.147 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287843330 552053701 /nfs/dbraw/zinc/05/37/01/552053701.db2.gz RQGQAZVOJNVBCZ-UHFFFAOYSA-N 1 1 351.432 2.147 20 5 FEBDMO CC[N@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@H](C)C1 ZINC000288330728 552134487 /nfs/dbraw/zinc/13/44/87/552134487.db2.gz IGEJQYQLKSTAOY-OAHLLOKOSA-N 1 1 360.458 2.364 20 5 FEBDMO COc1cc(Cc2noc(CCc3c[nH+]cn3C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000289227462 552285829 /nfs/dbraw/zinc/28/58/29/552285829.db2.gz NOTXQMTWAGMNTC-UHFFFAOYSA-N 1 1 373.369 2.105 20 5 FEBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000289302580 552297699 /nfs/dbraw/zinc/29/76/99/552297699.db2.gz IHXAVJKSHYYURT-RHSMWYFYSA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000289302580 552297702 /nfs/dbraw/zinc/29/77/02/552297702.db2.gz IHXAVJKSHYYURT-RHSMWYFYSA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2nc([C@H]3CCC[N@@H+]3C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000289302580 552297704 /nfs/dbraw/zinc/29/77/04/552297704.db2.gz IHXAVJKSHYYURT-RHSMWYFYSA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2nc([C@H]3CCC[N@H+]3C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000289302580 552297705 /nfs/dbraw/zinc/29/77/05/552297705.db2.gz IHXAVJKSHYYURT-RHSMWYFYSA-N 1 1 370.413 2.174 20 5 FEBDMO CN(C)CC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289528734 552336052 /nfs/dbraw/zinc/33/60/52/552336052.db2.gz CWSSFDOFSSHPBM-UHFFFAOYSA-N 1 1 369.853 2.396 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289746661 552372068 /nfs/dbraw/zinc/37/20/68/552372068.db2.gz FDEKVRCJBXMHGW-HNNXBMFYSA-N 1 1 373.413 2.384 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000290489682 552487612 /nfs/dbraw/zinc/48/76/12/552487612.db2.gz SYJXVGABXYLTDX-CYBMUJFWSA-N 1 1 350.419 2.078 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000290687227 552520050 /nfs/dbraw/zinc/52/00/50/552520050.db2.gz RBHULCFGTKHTHX-UHFFFAOYSA-N 1 1 361.446 2.032 20 5 FEBDMO CN(CCCN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)CC[NH+](C)C ZINC000290687227 552520051 /nfs/dbraw/zinc/52/00/51/552520051.db2.gz RBHULCFGTKHTHX-UHFFFAOYSA-N 1 1 361.446 2.032 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000291622872 552644636 /nfs/dbraw/zinc/64/46/36/552644636.db2.gz UEXZHRZPTSVEHO-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291730577 552655645 /nfs/dbraw/zinc/65/56/45/552655645.db2.gz JOTTYQNCUSLVJM-FQEVSTJZSA-N 1 1 371.437 2.074 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000293479781 552828045 /nfs/dbraw/zinc/82/80/45/552828045.db2.gz YBDMSJKWRQJYLY-MRXNPFEDSA-N 1 1 357.410 2.459 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000295420106 553003868 /nfs/dbraw/zinc/00/38/68/553003868.db2.gz YDIGEAIEZAAKBG-GFCCVEGCSA-N 1 1 369.849 2.474 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000295420106 553003871 /nfs/dbraw/zinc/00/38/71/553003871.db2.gz YDIGEAIEZAAKBG-GFCCVEGCSA-N 1 1 369.849 2.474 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C ZINC000295647378 553038862 /nfs/dbraw/zinc/03/88/62/553038862.db2.gz FUESRKBIAHTULK-KGLIPLIRSA-N 1 1 372.425 2.451 20 5 FEBDMO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000295749860 553053976 /nfs/dbraw/zinc/05/39/76/553053976.db2.gz ZPKXGPBMZPFGIV-GXTWGEPZSA-N 1 1 353.444 2.061 20 5 FEBDMO CC[C@@H](CO)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000295800217 553060601 /nfs/dbraw/zinc/06/06/01/553060601.db2.gz VWWFONCCHDWUGB-LBPRGKRZSA-N 1 1 364.427 2.360 20 5 FEBDMO CC[C@@H](CO)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000295800217 553060604 /nfs/dbraw/zinc/06/06/04/553060604.db2.gz VWWFONCCHDWUGB-LBPRGKRZSA-N 1 1 364.427 2.360 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000295862963 553069151 /nfs/dbraw/zinc/06/91/51/553069151.db2.gz DYUOKLHZHSGEML-QAPCUYQASA-N 1 1 362.426 2.226 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000296055652 553097091 /nfs/dbraw/zinc/09/70/91/553097091.db2.gz PYVLYXULXQOWQC-UHFFFAOYSA-N 1 1 364.409 2.498 20 5 FEBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000297523901 553303845 /nfs/dbraw/zinc/30/38/45/553303845.db2.gz XIGXHALQENXMEG-UHFFFAOYSA-N 1 1 364.446 2.237 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000297822180 553343331 /nfs/dbraw/zinc/34/33/31/553343331.db2.gz JFEIAWCFZYIMIX-OAHLLOKOSA-N 1 1 374.397 2.162 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000299016291 553503891 /nfs/dbraw/zinc/50/38/91/553503891.db2.gz GYYXITFYSWQRRM-KRWDZBQOSA-N 1 1 368.393 2.297 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000299016291 553503892 /nfs/dbraw/zinc/50/38/92/553503892.db2.gz GYYXITFYSWQRRM-KRWDZBQOSA-N 1 1 368.393 2.297 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000299210400 553531307 /nfs/dbraw/zinc/53/13/07/553531307.db2.gz GTVLPJOUVLDFGJ-IBGZPJMESA-N 1 1 374.441 2.094 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000299271098 553540275 /nfs/dbraw/zinc/54/02/75/553540275.db2.gz UPQZMMCQDKLWPN-UHFFFAOYSA-N 1 1 360.414 2.098 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299461056 553566665 /nfs/dbraw/zinc/56/66/65/553566665.db2.gz XKGSWKBZKXSABY-SNVBAGLBSA-N 1 1 356.810 2.032 20 5 FEBDMO CC(C)(CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1CCc2ccccc2C1 ZINC000301092362 553621042 /nfs/dbraw/zinc/62/10/42/553621042.db2.gz NDSCMIZGAUXXAR-UHFFFAOYSA-N 1 1 369.425 2.338 20 5 FEBDMO Cc1[nH+]c2cc(Nc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])ccc2n1C ZINC000301415061 553649654 /nfs/dbraw/zinc/64/96/54/553649654.db2.gz BTDKKZRFDZMTOG-UHFFFAOYSA-N 1 1 361.383 2.181 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2cc[nH+]cc2Cl)c1 ZINC000301523463 553658191 /nfs/dbraw/zinc/65/81/91/553658191.db2.gz ONMCFGOIUDSPSE-UHFFFAOYSA-N 1 1 356.791 2.034 20 5 FEBDMO C[C@](O)(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000301738079 553676045 /nfs/dbraw/zinc/67/60/45/553676045.db2.gz CJQAWNXPEPVDMT-AWEZNQCLSA-N 1 1 363.336 2.109 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000301831152 553683263 /nfs/dbraw/zinc/68/32/63/553683263.db2.gz SJZDCHSSXKFTMI-SFHVURJKSA-N 1 1 369.425 2.062 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000302269601 553713496 /nfs/dbraw/zinc/71/34/96/553713496.db2.gz RQHBJBXQIOHDAP-UHFFFAOYSA-N 1 1 351.407 2.331 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000505614328 561675308 /nfs/dbraw/zinc/67/53/08/561675308.db2.gz SXYSJYVYQHBDCD-MRXNPFEDSA-N 1 1 357.414 2.131 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000330433053 554121359 /nfs/dbraw/zinc/12/13/59/554121359.db2.gz KRIOVOYZAWEKKU-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000330485989 554127943 /nfs/dbraw/zinc/12/79/43/554127943.db2.gz CUSGDAJKXVQRAC-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO C[C@@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330946143 554192356 /nfs/dbraw/zinc/19/23/56/554192356.db2.gz GRWWAQZMNBQRKX-CYBMUJFWSA-N 1 1 367.421 2.407 20 5 FEBDMO C[C@@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330946143 554192357 /nfs/dbraw/zinc/19/23/57/554192357.db2.gz GRWWAQZMNBQRKX-CYBMUJFWSA-N 1 1 367.421 2.407 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331052507 554206926 /nfs/dbraw/zinc/20/69/26/554206926.db2.gz YUUIYIQXNCPLGI-GFCCVEGCSA-N 1 1 361.851 2.399 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000331129151 554217955 /nfs/dbraw/zinc/21/79/55/554217955.db2.gz INVDSCFPLKQNLU-OAHLLOKOSA-N 1 1 365.430 2.414 20 5 FEBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331280509 554240796 /nfs/dbraw/zinc/24/07/96/554240796.db2.gz FFAYUIZPGLSDNT-NEPJUHHUSA-N 1 1 359.423 2.133 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331280509 554240797 /nfs/dbraw/zinc/24/07/97/554240797.db2.gz FFAYUIZPGLSDNT-NEPJUHHUSA-N 1 1 359.423 2.133 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331365250 554251655 /nfs/dbraw/zinc/25/16/55/554251655.db2.gz CYDCARVEXIRORT-GJZGRUSLSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331365250 554251659 /nfs/dbraw/zinc/25/16/59/554251659.db2.gz CYDCARVEXIRORT-GJZGRUSLSA-N 1 1 374.441 2.256 20 5 FEBDMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000331395477 554257133 /nfs/dbraw/zinc/25/71/33/554257133.db2.gz GBIHDERQYDKTJL-CQSZACIVSA-N 1 1 364.427 2.261 20 5 FEBDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331739747 554319559 /nfs/dbraw/zinc/31/95/59/554319559.db2.gz FFERBSSXXJRYKU-NSHDSACASA-N 1 1 372.351 2.423 20 5 FEBDMO C[C@@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000511314450 561864790 /nfs/dbraw/zinc/86/47/90/561864790.db2.gz NMIIMGRYMRMUAF-CYBMUJFWSA-N 1 1 369.425 2.376 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@H]1c1cccs1 ZINC000361390542 554920444 /nfs/dbraw/zinc/92/04/44/554920444.db2.gz GVEOTMPGYCIAAA-HZMBPMFUSA-N 1 1 362.411 2.180 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000361953528 554940463 /nfs/dbraw/zinc/94/04/63/554940463.db2.gz AGRVETMKDHXORM-AWEZNQCLSA-N 1 1 363.414 2.290 20 5 FEBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000511650444 561876216 /nfs/dbraw/zinc/87/62/16/561876216.db2.gz WJVVKSMNZFSJQF-QHEVRDBASA-N 1 1 373.409 2.248 20 5 FEBDMO Cc1ccccc1C[N@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000363216314 555056130 /nfs/dbraw/zinc/05/61/30/555056130.db2.gz LDEMHDWDTGKOBI-UHFFFAOYSA-N 1 1 369.425 2.109 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363259323 555066421 /nfs/dbraw/zinc/06/64/21/555066421.db2.gz NBLBYRMDASOODF-NUEKZKHPSA-N 1 1 365.455 2.008 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(CO)Cc4ccccc4C3)o2)cc1 ZINC000363644014 555153661 /nfs/dbraw/zinc/15/36/61/555153661.db2.gz YNPPQSCFYRFNPL-UHFFFAOYSA-N 1 1 366.377 2.264 20 5 FEBDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000363711458 555169586 /nfs/dbraw/zinc/16/95/86/555169586.db2.gz JIBLHSVZCKSPMD-ACJLOTCBSA-N 1 1 372.381 2.420 20 5 FEBDMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343930 555295625 /nfs/dbraw/zinc/29/56/25/555295625.db2.gz PULYLNSJLUHMLQ-ATZDWAIDSA-N 1 1 363.458 2.453 20 5 FEBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364593338 555347820 /nfs/dbraw/zinc/34/78/20/555347820.db2.gz YMXADXWWIKBGDV-JKSUJKDBSA-N 1 1 373.409 2.191 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000365048965 555472984 /nfs/dbraw/zinc/47/29/84/555472984.db2.gz XGAFCKYUPNHYSV-HOTGVXAUSA-N 1 1 350.415 2.083 20 5 FEBDMO Cn1nccc1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163018 555499172 /nfs/dbraw/zinc/49/91/72/555499172.db2.gz NBLOSKRXFXPBPB-KBXCAEBGSA-N 1 1 369.425 2.313 20 5 FEBDMO Cn1nccc1[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163018 555499175 /nfs/dbraw/zinc/49/91/75/555499175.db2.gz NBLOSKRXFXPBPB-KBXCAEBGSA-N 1 1 369.425 2.313 20 5 FEBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365220036 555514122 /nfs/dbraw/zinc/51/41/22/555514122.db2.gz LGQPDVYHUIWHKL-OAHLLOKOSA-N 1 1 370.409 2.337 20 5 FEBDMO Cn1ccnc1[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000365639017 555628660 /nfs/dbraw/zinc/62/86/60/555628660.db2.gz PBDWLWOBCZDBBM-HNNXBMFYSA-N 1 1 369.425 2.097 20 5 FEBDMO Cn1ccnc1[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000365639017 555628663 /nfs/dbraw/zinc/62/86/63/555628663.db2.gz PBDWLWOBCZDBBM-HNNXBMFYSA-N 1 1 369.425 2.097 20 5 FEBDMO COc1ccc(NC(=O)CN2CCC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000365648852 555631558 /nfs/dbraw/zinc/63/15/58/555631558.db2.gz LGGOYJKYNPXDEU-CYBMUJFWSA-N 1 1 373.413 2.155 20 5 FEBDMO C[C@]1(C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000366355901 555820214 /nfs/dbraw/zinc/82/02/14/555820214.db2.gz OBHXJRJVBQDLND-MRXNPFEDSA-N 1 1 366.805 2.058 20 5 FEBDMO O=C1NC(=O)[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000366478517 555855992 /nfs/dbraw/zinc/85/59/92/555855992.db2.gz FCCOHQOFPLFMNW-JSGCOSHPSA-N 1 1 371.418 2.418 20 5 FEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366578927 555881897 /nfs/dbraw/zinc/88/18/97/555881897.db2.gz QKFDSSAGIKXIGI-RDTXWAMCSA-N 1 1 363.414 2.193 20 5 FEBDMO CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)no1 ZINC000366700617 555912354 /nfs/dbraw/zinc/91/23/54/555912354.db2.gz XMSXTBLFXZTCDH-GASCZTMLSA-N 1 1 357.414 2.104 20 5 FEBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000367000652 555994475 /nfs/dbraw/zinc/99/44/75/555994475.db2.gz KTSGFRJZNXFKGX-OAHLLOKOSA-N 1 1 374.466 2.268 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000367296659 556010966 /nfs/dbraw/zinc/01/09/66/556010966.db2.gz RNCBJURLCUXUQN-INIZCTEOSA-N 1 1 366.849 2.162 20 5 FEBDMO CNc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000514770105 561978362 /nfs/dbraw/zinc/97/83/62/561978362.db2.gz LADNNSHKLDIESK-MRXNPFEDSA-N 1 1 370.409 2.455 20 5 FEBDMO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367997447 556191145 /nfs/dbraw/zinc/19/11/45/556191145.db2.gz LQSXZSXPSIOQKM-QGZVFWFLSA-N 1 1 371.387 2.220 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000515100114 561996506 /nfs/dbraw/zinc/99/65/06/561996506.db2.gz BQJYOAWZSXPVAQ-CHWSQXEVSA-N 1 1 371.459 2.145 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]2[C@H]1c1ccccc1 ZINC000368472159 556319623 /nfs/dbraw/zinc/31/96/23/556319623.db2.gz ZBVVLVHSGOGMGA-SPYBWZPUSA-N 1 1 364.409 2.377 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368692218 556386518 /nfs/dbraw/zinc/38/65/18/556386518.db2.gz MFQRWYVJYHXCDA-SJORKVTESA-N 1 1 355.442 2.282 20 5 FEBDMO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015907 556477499 /nfs/dbraw/zinc/47/74/99/556477499.db2.gz COZHFMFMCBGBJH-RDJZCZTQSA-N 1 1 371.441 2.442 20 5 FEBDMO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015907 556477503 /nfs/dbraw/zinc/47/75/03/556477503.db2.gz COZHFMFMCBGBJH-RDJZCZTQSA-N 1 1 371.441 2.442 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H](O)COCc3cccs3)C2)c1 ZINC000369020329 556478397 /nfs/dbraw/zinc/47/83/97/556478397.db2.gz WQRMFNICTULHIP-DZGCQCFKSA-N 1 1 366.443 2.067 20 5 FEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369064962 556494265 /nfs/dbraw/zinc/49/42/65/556494265.db2.gz OAXDMCNMQARGJK-UHFFFAOYSA-N 1 1 360.458 2.113 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369669370 556664127 /nfs/dbraw/zinc/66/41/27/556664127.db2.gz ZOXUWLPXDLPHMH-RYQLBKOJSA-N 1 1 358.442 2.263 20 5 FEBDMO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000369818462 556703516 /nfs/dbraw/zinc/70/35/16/556703516.db2.gz HBCBTRYYMLDKGO-QAPCUYQASA-N 1 1 371.441 2.450 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000370724907 556950455 /nfs/dbraw/zinc/95/04/55/556950455.db2.gz NKQPOGLVPAPDLS-CYBMUJFWSA-N 1 1 367.471 2.236 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000370796781 556971555 /nfs/dbraw/zinc/97/15/55/556971555.db2.gz WBZCZHJOZZVEKC-CQSZACIVSA-N 1 1 369.425 2.362 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000370899914 557008192 /nfs/dbraw/zinc/00/81/92/557008192.db2.gz QITZNHHTBNUCOO-QGZVFWFLSA-N 1 1 374.441 2.400 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000370908243 557010845 /nfs/dbraw/zinc/01/08/45/557010845.db2.gz AOXKPKCGJLQMDQ-KDOFPFPSSA-N 1 1 371.441 2.450 20 5 FEBDMO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000370915702 557014633 /nfs/dbraw/zinc/01/46/33/557014633.db2.gz DCFXDMZCGSLTNN-RDTXWAMCSA-N 1 1 371.441 2.450 20 5 FEBDMO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000518017102 562102644 /nfs/dbraw/zinc/10/26/44/562102644.db2.gz WEWFZVPMNZHCQG-CQSZACIVSA-N 1 1 362.430 2.420 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000519066518 562124316 /nfs/dbraw/zinc/12/43/16/562124316.db2.gz NDGPYMRESBWPFP-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000519066518 562124317 /nfs/dbraw/zinc/12/43/17/562124317.db2.gz NDGPYMRESBWPFP-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO O=C1NC[C@@]2(CCC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)O1 ZINC000372617210 557522218 /nfs/dbraw/zinc/52/22/18/557522218.db2.gz GKZLLSZECASTDT-GOSISDBHSA-N 1 1 372.381 2.367 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(NC(=O)c2cccn2C)CC1 ZINC000373783143 557758105 /nfs/dbraw/zinc/75/81/05/557758105.db2.gz PCNHFZYYLZDVEL-UHFFFAOYSA-N 1 1 372.425 2.336 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000373804150 557762621 /nfs/dbraw/zinc/76/26/21/557762621.db2.gz GQXCWSOMYCJFES-AEFFLSMTSA-N 1 1 363.414 2.193 20 5 FEBDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000374010726 557807257 /nfs/dbraw/zinc/80/72/57/557807257.db2.gz DNOLYZLKNWRBME-CQSZACIVSA-N 1 1 360.418 2.365 20 5 FEBDMO C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000374911560 557950323 /nfs/dbraw/zinc/95/03/23/557950323.db2.gz IZINQOBRGCDAGR-YJBOKZPZSA-N 1 1 373.457 2.050 20 5 FEBDMO C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000374911560 557950325 /nfs/dbraw/zinc/95/03/25/557950325.db2.gz IZINQOBRGCDAGR-YJBOKZPZSA-N 1 1 373.457 2.050 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000375010343 557963701 /nfs/dbraw/zinc/96/37/01/557963701.db2.gz APZYLWIHIHNSGP-JFIYKMOQSA-N 1 1 364.442 2.473 20 5 FEBDMO CCOc1cc(CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000375430135 558025859 /nfs/dbraw/zinc/02/58/59/558025859.db2.gz WFZIAWLOHBYZPD-DLBZAZTESA-N 1 1 363.458 2.415 20 5 FEBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000375494729 558037227 /nfs/dbraw/zinc/03/72/27/558037227.db2.gz LSMZXCLCULXJBD-CQSZACIVSA-N 1 1 363.458 2.421 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000375894226 558095372 /nfs/dbraw/zinc/09/53/72/558095372.db2.gz XKWBTVXDFCGKKO-SJORKVTESA-N 1 1 370.365 2.331 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376296677 558153941 /nfs/dbraw/zinc/15/39/41/558153941.db2.gz RMIZBRYMEQTUOU-UKRRQHHQSA-N 1 1 369.425 2.212 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000522168058 562193223 /nfs/dbraw/zinc/19/32/23/562193223.db2.gz ZTOPBKSHORXPQP-CQSZACIVSA-N 1 1 357.414 2.241 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000377814387 558425583 /nfs/dbraw/zinc/42/55/83/558425583.db2.gz NQTBNXVBRXWIEF-UXLLHSPISA-N 1 1 369.425 2.012 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000523318484 562210994 /nfs/dbraw/zinc/21/09/94/562210994.db2.gz AVFVUKVEKSRLLZ-UHFFFAOYSA-N 1 1 351.451 2.069 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000523905357 562221459 /nfs/dbraw/zinc/22/14/59/562221459.db2.gz OVKHKXFWDUUZJR-AWEZNQCLSA-N 1 1 350.419 2.133 20 5 FEBDMO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)CS(=O)(=O)CC ZINC000411263830 558863336 /nfs/dbraw/zinc/86/33/36/558863336.db2.gz FRKJRQJQUDZQIM-CYBMUJFWSA-N 1 1 371.459 2.069 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](C)CS(=O)(=O)CC ZINC000411263830 558863337 /nfs/dbraw/zinc/86/33/37/558863337.db2.gz FRKJRQJQUDZQIM-CYBMUJFWSA-N 1 1 371.459 2.069 20 5 FEBDMO COC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411803131 558966478 /nfs/dbraw/zinc/96/64/78/558966478.db2.gz FAWUKAGRNKODOW-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411972792 558997783 /nfs/dbraw/zinc/99/77/83/558997783.db2.gz OKTWTWXYNZJGSE-CVEARBPZSA-N 1 1 355.394 2.304 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412053940 559007014 /nfs/dbraw/zinc/00/70/14/559007014.db2.gz GYJWPTZSOSCLBN-HOCLYGCPSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412053940 559007015 /nfs/dbraw/zinc/00/70/15/559007015.db2.gz GYJWPTZSOSCLBN-HOCLYGCPSA-N 1 1 374.441 2.399 20 5 FEBDMO O=[N+]([O-])c1cnc(NCCCN2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000413108466 559078650 /nfs/dbraw/zinc/07/86/50/559078650.db2.gz RONXBWQDRFKTHM-UHFFFAOYSA-N 1 1 360.393 2.148 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000413152950 559083556 /nfs/dbraw/zinc/08/35/56/559083556.db2.gz JNIBNHXXZVJZBC-YOEHRIQHSA-N 1 1 360.389 2.424 20 5 FEBDMO CCc1ccc([C@@H]([NH2+]C[C@H](O)Cn2ccnn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414172315 559151510 /nfs/dbraw/zinc/15/15/10/559151510.db2.gz DUTLJPUTWHMHDT-YJBOKZPZSA-N 1 1 371.397 2.082 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000416511104 559318839 /nfs/dbraw/zinc/31/88/39/559318839.db2.gz ZQAWJSCTJMYMBX-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C[N@H+]1CCO ZINC000419338569 559438192 /nfs/dbraw/zinc/43/81/92/559438192.db2.gz LJICXLLJDUJAHX-LSDHHAIUSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CN1CCO ZINC000419338569 559438193 /nfs/dbraw/zinc/43/81/93/559438193.db2.gz LJICXLLJDUJAHX-LSDHHAIUSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CN1CCO ZINC000419338569 559438194 /nfs/dbraw/zinc/43/81/94/559438194.db2.gz LJICXLLJDUJAHX-LSDHHAIUSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019012 559520020 /nfs/dbraw/zinc/52/00/20/559520020.db2.gz NAJIDJHPUPUWIS-UONOGXRCSA-N 1 1 365.430 2.056 20 5 FEBDMO Cc1ccc([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000423376634 559627190 /nfs/dbraw/zinc/62/71/90/559627190.db2.gz DWPILMOEKAKADS-SWLSCSKDSA-N 1 1 360.380 2.390 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425071385 559686343 /nfs/dbraw/zinc/68/63/43/559686343.db2.gz YSJGZPAWHBCQQX-WCQYABFASA-N 1 1 355.341 2.362 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000425359826 559698169 /nfs/dbraw/zinc/69/81/69/559698169.db2.gz TUFZDLIMBDGJRI-SECBINFHSA-N 1 1 369.328 2.312 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000427247796 559751387 /nfs/dbraw/zinc/75/13/87/559751387.db2.gz CLBZXZHWAPZGRU-UHFFFAOYSA-N 1 1 373.335 2.475 20 5 FEBDMO CCN(CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)CCC(F)(F)F ZINC000427247796 559751388 /nfs/dbraw/zinc/75/13/88/559751388.db2.gz CLBZXZHWAPZGRU-UHFFFAOYSA-N 1 1 373.335 2.475 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429398387 559797824 /nfs/dbraw/zinc/79/78/24/559797824.db2.gz ICFQDEYMNPAQEH-XEZPLFJOSA-N 1 1 363.414 2.441 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429908095 559808342 /nfs/dbraw/zinc/80/83/42/559808342.db2.gz IAQIDCKTSYBSJO-HNNXBMFYSA-N 1 1 363.458 2.345 20 5 FEBDMO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000430087624 559812727 /nfs/dbraw/zinc/81/27/27/559812727.db2.gz TVOKMLWFPIJNTN-CQSZACIVSA-N 1 1 355.460 2.184 20 5 FEBDMO CC(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000430087624 559812728 /nfs/dbraw/zinc/81/27/28/559812728.db2.gz TVOKMLWFPIJNTN-CQSZACIVSA-N 1 1 355.460 2.184 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)CC2)c1 ZINC000430792806 559828318 /nfs/dbraw/zinc/82/83/18/559828318.db2.gz STPJWFKRBRNLHU-UHFFFAOYSA-N 1 1 370.409 2.334 20 5 FEBDMO C[N@@H+](C[C@@H](O)Cc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433039696 559870373 /nfs/dbraw/zinc/87/03/73/559870373.db2.gz NFLKCWMRPJEYBV-OALUTQOASA-N 1 1 369.421 2.236 20 5 FEBDMO CS(=O)(=O)c1cccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433807552 559888106 /nfs/dbraw/zinc/88/81/06/559888106.db2.gz ILEQSAVIDZUTQC-CYBMUJFWSA-N 1 1 353.444 2.427 20 5 FEBDMO CS(=O)(=O)c1cccc(NC[C@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433807552 559888107 /nfs/dbraw/zinc/88/81/07/559888107.db2.gz ILEQSAVIDZUTQC-CYBMUJFWSA-N 1 1 353.444 2.427 20 5 FEBDMO COc1ccccc1CCNC(=O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000435740164 559929268 /nfs/dbraw/zinc/92/92/68/559929268.db2.gz CDSQIHVCYFOVKA-UHFFFAOYSA-N 1 1 361.373 2.191 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000438946298 559985977 /nfs/dbraw/zinc/98/59/77/559985977.db2.gz HLBBKMJMDNSPKY-GFCCVEGCSA-N 1 1 361.489 2.445 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)[C@@H]3CCCSC3)o2)cc1 ZINC000438994979 559986910 /nfs/dbraw/zinc/98/69/10/559986910.db2.gz BHZZYEIQWRUTIC-CQSZACIVSA-N 1 1 364.427 2.335 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)[C@@H]3CCCSC3)o2)cc1 ZINC000438994979 559986911 /nfs/dbraw/zinc/98/69/11/559986911.db2.gz BHZZYEIQWRUTIC-CQSZACIVSA-N 1 1 364.427 2.335 20 5 FEBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000439464437 559994507 /nfs/dbraw/zinc/99/45/07/559994507.db2.gz CZOALWMRQPJPTE-GOSISDBHSA-N 1 1 366.414 2.265 20 5 FEBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000439485243 559995436 /nfs/dbraw/zinc/99/54/36/559995436.db2.gz IOYIVACSJMOTDT-GOSISDBHSA-N 1 1 366.414 2.265 20 5 FEBDMO CCC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1CCOC ZINC000444689924 560118154 /nfs/dbraw/zinc/11/81/54/560118154.db2.gz POFMXXXCAMZMDW-HNNXBMFYSA-N 1 1 361.446 2.404 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000447427204 560162041 /nfs/dbraw/zinc/16/20/41/560162041.db2.gz PTNZEYDBHAZBPJ-UHFFFAOYSA-N 1 1 362.430 2.080 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCc1c[nH+]c(N(C)C)n1C ZINC000447817385 560169868 /nfs/dbraw/zinc/16/98/68/560169868.db2.gz NYNXLLQIUJPXRB-UHFFFAOYSA-N 1 1 367.793 2.446 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447932948 560173649 /nfs/dbraw/zinc/17/36/49/560173649.db2.gz RWKPLTJGKYVUQR-OAHLLOKOSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447932948 560173650 /nfs/dbraw/zinc/17/36/50/560173650.db2.gz RWKPLTJGKYVUQR-OAHLLOKOSA-N 1 1 371.459 2.002 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000449456013 560230769 /nfs/dbraw/zinc/23/07/69/560230769.db2.gz RWQKDNRBOGXGEV-QGZVFWFLSA-N 1 1 352.387 2.005 20 5 FEBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000449782088 560239888 /nfs/dbraw/zinc/23/98/88/560239888.db2.gz YNZQSTNRXGHPBT-AWEZNQCLSA-N 1 1 366.414 2.395 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@H]1C ZINC000450314879 560258068 /nfs/dbraw/zinc/25/80/68/560258068.db2.gz CJSVZBATSIUVPT-ZIAGYGMSSA-N 1 1 357.414 2.335 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCC[N@H+]1CCCO ZINC000450598804 560267539 /nfs/dbraw/zinc/26/75/39/560267539.db2.gz RJGDTDSRQAEVJI-LLVKDONJSA-N 1 1 371.821 2.294 20 5 FEBDMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309423 560299341 /nfs/dbraw/zinc/29/93/41/560299341.db2.gz WPCXAZDWJAFOID-BFYDXBDKSA-N 1 1 350.415 2.355 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451339742 560301160 /nfs/dbraw/zinc/30/11/60/560301160.db2.gz JSNXOHOXROWSQA-LULLPPNCSA-N 1 1 364.442 2.350 20 5 FEBDMO O=c1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c2ccnn21 ZINC000451543462 560313503 /nfs/dbraw/zinc/31/35/03/560313503.db2.gz BVXOFUBLZMSWLE-AWEZNQCLSA-N 1 1 353.382 2.310 20 5 FEBDMO Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)C2=O)cn1 ZINC000451550870 560314139 /nfs/dbraw/zinc/31/41/39/560314139.db2.gz SSBCCCVGTATMGH-QAPCUYQASA-N 1 1 369.425 2.313 20 5 FEBDMO Cn1cc(N2CC[C@H]([N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)C2=O)cn1 ZINC000451550870 560314140 /nfs/dbraw/zinc/31/41/40/560314140.db2.gz SSBCCCVGTATMGH-QAPCUYQASA-N 1 1 369.425 2.313 20 5 FEBDMO CO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451854766 560332547 /nfs/dbraw/zinc/33/25/47/560332547.db2.gz RHTVJCYGURUUHB-IRXDYDNUSA-N 1 1 359.426 2.373 20 5 FEBDMO CO[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451854766 560332548 /nfs/dbraw/zinc/33/25/48/560332548.db2.gz RHTVJCYGURUUHB-IRXDYDNUSA-N 1 1 359.426 2.373 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000452102253 560351552 /nfs/dbraw/zinc/35/15/52/560351552.db2.gz HRMBOTXXFMZISV-CQSZACIVSA-N 1 1 355.460 2.315 20 5 FEBDMO Cc1cnc(CC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000453406479 560386062 /nfs/dbraw/zinc/38/60/62/560386062.db2.gz RBHDEMBOMOPZAI-QGZVFWFLSA-N 1 1 352.398 2.348 20 5 FEBDMO CNc1nc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456035079 560505158 /nfs/dbraw/zinc/50/51/58/560505158.db2.gz ANUWACJATBEMBO-CJNGLKHVSA-N 1 1 369.425 2.282 20 5 FEBDMO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457953665 560596152 /nfs/dbraw/zinc/59/61/52/560596152.db2.gz ZIZRFHPXKQVQBV-CQSZACIVSA-N 1 1 350.419 2.228 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)[C@H](CO)C3)o2)c(Cl)c1 ZINC000459674113 560701261 /nfs/dbraw/zinc/70/12/61/560701261.db2.gz BOXMPZRRRKJDKK-ZUZCIYMTSA-N 1 1 352.774 2.293 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000459707806 560703341 /nfs/dbraw/zinc/70/33/41/560703341.db2.gz OGDJZXDTQOWKHF-GUYCJALGSA-N 1 1 362.357 2.311 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)[C@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000459707806 560703342 /nfs/dbraw/zinc/70/33/42/560703342.db2.gz OGDJZXDTQOWKHF-GUYCJALGSA-N 1 1 362.357 2.311 20 5 FEBDMO O=[N+]([O-])c1ccc(NCCC[NH+]2CCOCC2)nc1OCc1ccccc1 ZINC000462439057 560810155 /nfs/dbraw/zinc/81/01/55/560810155.db2.gz FBLMSLLQTFFPGY-UHFFFAOYSA-N 1 1 372.425 2.703 20 5 FEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463454190 560815686 /nfs/dbraw/zinc/81/56/86/560815686.db2.gz MLKMXMWAORDILH-XQQFMLRXSA-N 1 1 350.341 2.205 20 5 FEBDMO CC1=CC[N@@H+](CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000468741260 560937645 /nfs/dbraw/zinc/93/76/45/560937645.db2.gz YWVOZWLEORORJX-UHFFFAOYSA-N 1 1 360.414 2.019 20 5 FEBDMO Cc1cccc(NCCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[nH+]1 ZINC000469588555 560959025 /nfs/dbraw/zinc/95/90/25/560959025.db2.gz JGDZITFOQWSHCU-UHFFFAOYSA-N 1 1 367.365 2.394 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470913207 560993752 /nfs/dbraw/zinc/99/37/52/560993752.db2.gz MSIQUWWJCSERIK-YVEFUNNKSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470913207 560993753 /nfs/dbraw/zinc/99/37/53/560993753.db2.gz MSIQUWWJCSERIK-YVEFUNNKSA-N 1 1 351.403 2.431 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000470968447 560995608 /nfs/dbraw/zinc/99/56/08/560995608.db2.gz QWGNMOXVFLTRSJ-LPHOPBHVSA-N 1 1 372.469 2.364 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000473932594 561061072 /nfs/dbraw/zinc/06/10/72/561061072.db2.gz MDNLUDOPHMUSOC-OCCSQVGLSA-N 1 1 355.460 2.302 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475713846 561103058 /nfs/dbraw/zinc/10/30/58/561103058.db2.gz FSEJUDVGHHDGIH-KGLIPLIRSA-N 1 1 365.430 2.061 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])nn3C)cc2)C1 ZINC000476071173 561110842 /nfs/dbraw/zinc/11/08/42/561110842.db2.gz HYQYUSCBEZTBSX-CQSZACIVSA-N 1 1 371.441 2.490 20 5 FEBDMO COc1c(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476469670 561120289 /nfs/dbraw/zinc/12/02/89/561120289.db2.gz WEXMDUVAHJUGSK-HZPDHXFCSA-N 1 1 355.394 2.431 20 5 FEBDMO C[C@@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813538 562424815 /nfs/dbraw/zinc/42/48/15/562424815.db2.gz ZKGDHDXPFWUCOK-FOIQADDNSA-N 1 1 369.421 2.409 20 5 FEBDMO CC(C)[N@H+]1CCCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000533414684 562508124 /nfs/dbraw/zinc/50/81/24/562508124.db2.gz YIQDPEWVXJEWBN-UHFFFAOYSA-N 1 1 362.430 2.309 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000533497932 562510942 /nfs/dbraw/zinc/51/09/42/562510942.db2.gz YSXSIDVYIWQCDQ-AWEZNQCLSA-N 1 1 355.460 2.384 20 5 FEBDMO CS[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC000536470858 562576323 /nfs/dbraw/zinc/57/63/23/562576323.db2.gz DQIXEXFTKGFGBE-HOTGVXAUSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1[NH+](C)C ZINC000536470858 562576324 /nfs/dbraw/zinc/57/63/24/562576324.db2.gz DQIXEXFTKGFGBE-HOTGVXAUSA-N 1 1 366.487 2.209 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1OC ZINC000536600050 562580020 /nfs/dbraw/zinc/58/00/20/562580020.db2.gz RVNWTFMTPGSLMH-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1OC ZINC000536600050 562580021 /nfs/dbraw/zinc/58/00/21/562580021.db2.gz RVNWTFMTPGSLMH-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000536821718 562581097 /nfs/dbraw/zinc/58/10/97/562581097.db2.gz QRVCQSMIWQWTAP-KGLIPLIRSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000536821718 562581098 /nfs/dbraw/zinc/58/10/98/562581098.db2.gz QRVCQSMIWQWTAP-KGLIPLIRSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000536821720 562581179 /nfs/dbraw/zinc/58/11/79/562581179.db2.gz QRVCQSMIWQWTAP-ZIAGYGMSSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000536821720 562581180 /nfs/dbraw/zinc/58/11/80/562581180.db2.gz QRVCQSMIWQWTAP-ZIAGYGMSSA-N 1 1 357.414 2.063 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000537046151 562584595 /nfs/dbraw/zinc/58/45/95/562584595.db2.gz UJFVWVZZCLYBSB-GJZGRUSLSA-N 1 1 364.446 2.312 20 5 FEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908374 562622952 /nfs/dbraw/zinc/62/29/52/562622952.db2.gz KXWWCQZXWRPBBX-ZFWWWQNUSA-N 1 1 355.398 2.369 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000568568758 568053000 /nfs/dbraw/zinc/05/30/00/568053000.db2.gz JYVORSVHQMIUOZ-GFCCVEGCSA-N 1 1 359.448 2.002 20 5 FEBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000568577193 568058695 /nfs/dbraw/zinc/05/86/95/568058695.db2.gz ZTBNFZULYFRILE-XJKSGUPXSA-N 1 1 362.430 2.228 20 5 FEBDMO CC(C)C[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751091 568175297 /nfs/dbraw/zinc/17/52/97/568175297.db2.gz XRVQJSBCBPCPCP-SJORKVTESA-N 1 1 365.474 2.292 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751091 568175298 /nfs/dbraw/zinc/17/52/98/568175298.db2.gz XRVQJSBCBPCPCP-SJORKVTESA-N 1 1 365.474 2.292 20 5 FEBDMO NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000569512240 568404351 /nfs/dbraw/zinc/40/43/51/568404351.db2.gz DZSOLHIJCKPLCH-INIZCTEOSA-N 1 1 361.423 2.409 20 5 FEBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+](C)Cc1ccccc1 ZINC000736027049 598676501 /nfs/dbraw/zinc/67/65/01/598676501.db2.gz WBSIVLJIBJOQNF-LBPRGKRZSA-N 1 1 368.401 2.102 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000687 606226649 /nfs/dbraw/zinc/22/66/49/606226649.db2.gz HXBDWLBUNZGEHF-KGLIPLIRSA-N 1 1 357.418 2.228 20 5 FEBDMO Nc1c(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000559253877 674533902 /nfs/dbraw/zinc/53/39/02/674533902.db2.gz IPRZHEGDBHSXSR-UHFFFAOYSA-N 1 1 350.394 2.264 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000559467620 674544334 /nfs/dbraw/zinc/54/43/34/674544334.db2.gz RQRHCYYMLXDRAJ-HOTGVXAUSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000559467620 674544335 /nfs/dbraw/zinc/54/43/35/674544335.db2.gz RQRHCYYMLXDRAJ-HOTGVXAUSA-N 1 1 350.415 2.226 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000560454700 674589304 /nfs/dbraw/zinc/58/93/04/674589304.db2.gz ZFJKJMXQJNTSBW-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000560454700 674589307 /nfs/dbraw/zinc/58/93/07/674589307.db2.gz ZFJKJMXQJNTSBW-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO C[C@@H](CCNC[C@H](O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000563012646 674834794 /nfs/dbraw/zinc/83/47/94/674834794.db2.gz BNKSDSAHAAYLQT-HOTGVXAUSA-N 1 1 351.447 2.189 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@H](O)CC12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000817290147 675117860 /nfs/dbraw/zinc/11/78/60/675117860.db2.gz HJYXTUGHQXBYEC-ZDUSSCGKSA-N 1 1 351.378 2.442 20 5 FEBDMO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCCO1 ZINC000576178117 671349441 /nfs/dbraw/zinc/34/94/41/671349441.db2.gz COQOBIARDMLSFF-OAHLLOKOSA-N 1 1 352.387 2.148 20 5 FEBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCCO1 ZINC000576178117 671349444 /nfs/dbraw/zinc/34/94/44/671349444.db2.gz COQOBIARDMLSFF-OAHLLOKOSA-N 1 1 352.387 2.148 20 5 FEBDMO CC(C)c1ccc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000578175672 671646348 /nfs/dbraw/zinc/64/63/48/671646348.db2.gz SEXXPJJZKIUTOL-UHFFFAOYSA-N 1 1 369.487 2.479 20 5 FEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000579472221 671738260 /nfs/dbraw/zinc/73/82/60/671738260.db2.gz ICOTXJLMMZSYDG-MRXNPFEDSA-N 1 1 364.402 2.492 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000119926874 671912561 /nfs/dbraw/zinc/91/25/61/671912561.db2.gz IPKACLYNXCSGBN-UHFFFAOYSA-N 1 1 373.431 2.206 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000119926874 671912563 /nfs/dbraw/zinc/91/25/63/671912563.db2.gz IPKACLYNXCSGBN-UHFFFAOYSA-N 1 1 373.431 2.206 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c1F ZINC000582406730 671999476 /nfs/dbraw/zinc/99/94/76/671999476.db2.gz VMTIYBVOEVGMCT-LBPRGKRZSA-N 1 1 353.394 2.132 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@H]1CCO ZINC000585754389 672230593 /nfs/dbraw/zinc/23/05/93/672230593.db2.gz LKWYNRIHJSIKDL-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCCC[C@H]1CCO ZINC000585754389 672230596 /nfs/dbraw/zinc/23/05/96/672230596.db2.gz LKWYNRIHJSIKDL-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000590045985 672556135 /nfs/dbraw/zinc/55/61/35/672556135.db2.gz ZJDCEWQOQCNUPU-RNCFNFMXSA-N 1 1 354.204 2.133 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](C)C[C@H]2CC)c([N+](=O)[O-])cc1OC ZINC000591004654 672640058 /nfs/dbraw/zinc/64/00/58/672640058.db2.gz HVNOILGYLWHJFE-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2CC)c([N+](=O)[O-])cc1OC ZINC000591004654 672640060 /nfs/dbraw/zinc/64/00/60/672640060.db2.gz HVNOILGYLWHJFE-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO C[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066558 672871031 /nfs/dbraw/zinc/87/10/31/672871031.db2.gz NOYJIQAJPJWYMC-LRDDRELGSA-N 1 1 364.833 2.467 20 5 FEBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000593674400 672976750 /nfs/dbraw/zinc/97/67/50/672976750.db2.gz RRRLHZSQKPYKRB-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000594473512 673080179 /nfs/dbraw/zinc/08/01/79/673080179.db2.gz DJYBQMRDTASQKW-UHFFFAOYSA-N 1 1 371.459 2.098 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594475325 673081825 /nfs/dbraw/zinc/08/18/25/673081825.db2.gz PBWATTQSVZVCAB-UHFFFAOYSA-N 1 1 359.423 2.229 20 5 FEBDMO CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000594790554 673143225 /nfs/dbraw/zinc/14/32/25/673143225.db2.gz MTMDWRPYARKUHX-LLVKDONJSA-N 1 1 359.423 2.133 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000594790554 673143228 /nfs/dbraw/zinc/14/32/28/673143228.db2.gz MTMDWRPYARKUHX-LLVKDONJSA-N 1 1 359.423 2.133 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594789972 673143356 /nfs/dbraw/zinc/14/33/56/673143356.db2.gz OPJHUOZHWIKYCL-CYBMUJFWSA-N 1 1 355.460 2.308 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594789972 673143359 /nfs/dbraw/zinc/14/33/59/673143359.db2.gz OPJHUOZHWIKYCL-CYBMUJFWSA-N 1 1 355.460 2.308 20 5 FEBDMO COCC[N@@H+](C)CCCC1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595403423 673243960 /nfs/dbraw/zinc/24/39/60/673243960.db2.gz FFWCODRHDXMSOY-UHFFFAOYSA-N 1 1 354.451 2.462 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595467290 673254621 /nfs/dbraw/zinc/25/46/21/673254621.db2.gz JYAYRLJRCWUTTR-ZDUSSCGKSA-N 1 1 350.419 2.275 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000462504609 673255975 /nfs/dbraw/zinc/25/59/75/673255975.db2.gz UMFBLQQHAVAZOF-KOLCDFICSA-N 1 1 361.851 2.318 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000730786486 673290746 /nfs/dbraw/zinc/29/07/46/673290746.db2.gz QKDLRIPDNWFOQA-TXEJJXNPSA-N 1 1 350.375 2.496 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC[N@H+]1CC ZINC000596049235 673353930 /nfs/dbraw/zinc/35/39/30/673353930.db2.gz HIISYSKGPGQUDH-CQSZACIVSA-N 1 1 370.475 2.179 20 5 FEBDMO Cc1cccc(NCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000538758728 673456585 /nfs/dbraw/zinc/45/65/85/673456585.db2.gz HGSSEFKDNZZVIT-UHFFFAOYSA-N 1 1 356.429 2.287 20 5 FEBDMO COc1ccc(CSCC(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000540542998 673545864 /nfs/dbraw/zinc/54/58/64/673545864.db2.gz IIIWCLFDSXLTCL-UHFFFAOYSA-N 1 1 365.455 2.215 20 5 FEBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000541738537 673555520 /nfs/dbraw/zinc/55/55/20/673555520.db2.gz LXWRIOLFCVYGJV-LLVKDONJSA-N 1 1 353.375 2.253 20 5 FEBDMO COC(=O)c1ccnc(NCCCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000598588793 673587312 /nfs/dbraw/zinc/58/73/12/673587312.db2.gz CNNHKFXKKSTGSB-ZDUSSCGKSA-N 1 1 350.419 2.700 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608640 673589892 /nfs/dbraw/zinc/58/98/92/673589892.db2.gz OIFCJYBLUPXLJZ-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000543183454 673631463 /nfs/dbraw/zinc/63/14/63/673631463.db2.gz QMTJEXPBERYUBA-KRWDZBQOSA-N 1 1 368.455 2.260 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000599414779 673672754 /nfs/dbraw/zinc/67/27/54/673672754.db2.gz IGMARKVBQHPPCT-CYBMUJFWSA-N 1 1 355.460 2.167 20 5 FEBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600007700 673733778 /nfs/dbraw/zinc/73/37/78/673733778.db2.gz XVGVHMHCOJZMCL-UHFFFAOYSA-N 1 1 351.378 2.061 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000545362711 673763158 /nfs/dbraw/zinc/76/31/58/673763158.db2.gz VKATUBKVCNILDD-UHFFFAOYSA-N 1 1 369.487 2.477 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]Cc3ccccc32)c([N+](=O)[O-])s1 ZINC000601338024 673844522 /nfs/dbraw/zinc/84/45/22/673844522.db2.gz HIGORDYLHSGPPL-UHFFFAOYSA-N 1 1 353.425 2.263 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c([N+](=O)[O-])s1 ZINC000601341497 673845131 /nfs/dbraw/zinc/84/51/31/673845131.db2.gz DAPQYAGPLGQEAI-CYBMUJFWSA-N 1 1 367.452 2.300 20 5 FEBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602729042 673910248 /nfs/dbraw/zinc/91/02/48/673910248.db2.gz HIRVKPNQQDUILA-GTNSWQLSSA-N 1 1 352.387 2.243 20 5 FEBDMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819383008 675286960 /nfs/dbraw/zinc/28/69/60/675286960.db2.gz HKDWIBQHEMUTDS-BXKDBHETSA-N 1 1 351.384 2.222 20 5 FEBDMO CN1C[C@H]([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1=O ZINC000821322846 675427030 /nfs/dbraw/zinc/42/70/30/675427030.db2.gz MWZZVZDPVFPJDF-LLVKDONJSA-N 1 1 356.220 2.410 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000830024337 677022237 /nfs/dbraw/zinc/02/22/37/677022237.db2.gz QWVNAMPAWSBYPC-YYIAUSFCSA-N 1 1 361.467 2.394 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000839439736 680752872 /nfs/dbraw/zinc/75/28/72/680752872.db2.gz FDZDSQHPEGVTSD-CYBMUJFWSA-N 1 1 350.375 2.366 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000748844301 680000067 /nfs/dbraw/zinc/00/00/67/680000067.db2.gz QJQJEDCDEGTSAL-LBPRGKRZSA-N 1 1 350.375 2.272 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000750872583 680137170 /nfs/dbraw/zinc/13/71/70/680137170.db2.gz LXFWJKNESZGHHT-UHFFFAOYSA-N 1 1 373.203 2.236 20 5 FEBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063677 680193378 /nfs/dbraw/zinc/19/33/78/680193378.db2.gz GNVSDXCJMCKGHD-XJFOESAGSA-N 1 1 358.225 2.395 20 5 FEBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000752071840 680221756 /nfs/dbraw/zinc/22/17/56/680221756.db2.gz ZDJUJBLGONDEAY-QWHCGFSZSA-N 1 1 353.423 2.026 20 5 FEBDMO COc1ccc(Cl)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1 ZINC000996429332 680332210 /nfs/dbraw/zinc/33/22/10/680332210.db2.gz PWWUXKFQYAUGBA-GDBMZVCRSA-N 1 1 367.833 2.094 20 5 FEBDMO C[N@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000754975502 680390920 /nfs/dbraw/zinc/39/09/20/680390920.db2.gz XVXRMWRPCNFYBS-UHFFFAOYSA-N 1 1 360.183 2.274 20 5 FEBDMO Cc1ncsc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC001034816315 680440226 /nfs/dbraw/zinc/44/02/26/680440226.db2.gz MMJBHPLVMQHECV-HUUCEWRRSA-N 1 1 360.439 2.023 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836627198 680491738 /nfs/dbraw/zinc/49/17/38/680491738.db2.gz JSTYDOXPAZLATI-LBPRGKRZSA-N 1 1 355.822 2.397 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000836948762 680533162 /nfs/dbraw/zinc/53/31/62/680533162.db2.gz FFWWMGIMFWXGQF-GFCCVEGCSA-N 1 1 352.410 2.356 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000836948762 680533163 /nfs/dbraw/zinc/53/31/63/680533163.db2.gz FFWWMGIMFWXGQF-GFCCVEGCSA-N 1 1 352.410 2.356 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000766208221 680870393 /nfs/dbraw/zinc/87/03/93/680870393.db2.gz XACJQTNVEMZOMK-ZDUSSCGKSA-N 1 1 371.434 2.338 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000766208221 680870396 /nfs/dbraw/zinc/87/03/96/680870396.db2.gz XACJQTNVEMZOMK-ZDUSSCGKSA-N 1 1 371.434 2.338 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000768791863 680958416 /nfs/dbraw/zinc/95/84/16/680958416.db2.gz FGEUKRMQQPTJEQ-ZDUSSCGKSA-N 1 1 367.452 2.209 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000768791863 680958419 /nfs/dbraw/zinc/95/84/19/680958419.db2.gz FGEUKRMQQPTJEQ-ZDUSSCGKSA-N 1 1 367.452 2.209 20 5 FEBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc(Cl)nc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050326143 681045259 /nfs/dbraw/zinc/04/52/59/681045259.db2.gz UCENOBMHAGDBOG-NMFUWQPSSA-N 1 1 366.849 2.165 20 5 FEBDMO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000846044867 681176417 /nfs/dbraw/zinc/17/64/17/681176417.db2.gz QQCICONKCXKCDA-UHFFFAOYSA-N 1 1 361.851 2.355 20 5 FEBDMO C[N@@H+]1CC=C(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000775960771 681352387 /nfs/dbraw/zinc/35/23/87/681352387.db2.gz YCMDZZYYSWDSSH-UHFFFAOYSA-N 1 1 372.194 2.488 20 5 FEBDMO Cc1nsc(N2CCC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000776277598 681378837 /nfs/dbraw/zinc/37/88/37/681378837.db2.gz OLGGJQGFMARNCU-OAHLLOKOSA-N 1 1 363.443 2.000 20 5 FEBDMO C[N@H+]1CC[C@@H](CCOC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000847822438 681437141 /nfs/dbraw/zinc/43/71/41/681437141.db2.gz CCKAYDTVSFVUQI-LBPRGKRZSA-N 1 1 351.359 2.321 20 5 FEBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933737691 681460097 /nfs/dbraw/zinc/46/00/97/681460097.db2.gz DBBLHIHHQKGBOY-NVGCLXPQSA-N 1 1 366.849 2.459 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000777998905 681554859 /nfs/dbraw/zinc/55/48/59/681554859.db2.gz FZXWSILVEALQLK-GFCCVEGCSA-N 1 1 359.423 2.005 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581314 681581785 /nfs/dbraw/zinc/58/17/85/681581785.db2.gz OYNDDFUDNPWDAA-DGCLKSJQSA-N 1 1 355.341 2.309 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000934806704 681638143 /nfs/dbraw/zinc/63/81/43/681638143.db2.gz QXLOPXMQHZQLGG-UHFFFAOYSA-N 1 1 361.427 2.013 20 5 FEBDMO C[C@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000914332267 685504247 /nfs/dbraw/zinc/50/42/47/685504247.db2.gz ZLFDXZYUQQMXSD-BBRMVZONSA-N 1 1 353.444 2.061 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCN(C2CC2)C1 ZINC000782492749 682049420 /nfs/dbraw/zinc/04/94/20/682049420.db2.gz PKEOBOMQZPEUIL-CQSZACIVSA-N 1 1 350.394 2.231 20 5 FEBDMO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000782492749 682049429 /nfs/dbraw/zinc/04/94/29/682049429.db2.gz PKEOBOMQZPEUIL-CQSZACIVSA-N 1 1 350.394 2.231 20 5 FEBDMO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000782492749 682049437 /nfs/dbraw/zinc/04/94/37/682049437.db2.gz PKEOBOMQZPEUIL-CQSZACIVSA-N 1 1 350.394 2.231 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000851857026 682164705 /nfs/dbraw/zinc/16/47/05/682164705.db2.gz KRCMPSZXKMAXQW-UHFFFAOYSA-N 1 1 361.439 2.441 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000784965722 682264037 /nfs/dbraw/zinc/26/40/37/682264037.db2.gz MMNVPMMGACFUBL-GHMZBOCLSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000784965722 682264040 /nfs/dbraw/zinc/26/40/40/682264040.db2.gz MMNVPMMGACFUBL-GHMZBOCLSA-N 1 1 368.821 2.128 20 5 FEBDMO CC(C)[C@@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000787965389 682493794 /nfs/dbraw/zinc/49/37/94/682493794.db2.gz GEIXMOCDFPBDCI-AWEZNQCLSA-N 1 1 357.794 2.316 20 5 FEBDMO CC(C)[C@@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000787961539 682493839 /nfs/dbraw/zinc/49/38/39/682493839.db2.gz MADGHFSCRXPIBV-HZMBPMFUSA-N 1 1 355.366 2.190 20 5 FEBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000855363959 682662297 /nfs/dbraw/zinc/66/22/97/682662297.db2.gz WUGGXVRANYHLKT-GFCCVEGCSA-N 1 1 350.375 2.286 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856730682 682799669 /nfs/dbraw/zinc/79/96/69/682799669.db2.gz QOWGBJAZHRZQRL-UHFFFAOYSA-N 1 1 366.219 2.417 20 5 FEBDMO O=[N+]([O-])c1c(Br)cccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856772340 682808876 /nfs/dbraw/zinc/80/88/76/682808876.db2.gz WTMUZCUYEBTHDK-LBPRGKRZSA-N 1 1 370.247 2.393 20 5 FEBDMO CC[NH+]1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795289464 683035859 /nfs/dbraw/zinc/03/58/59/683035859.db2.gz HJKNKWJCZZZIJY-UHFFFAOYSA-N 1 1 365.814 2.150 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000919843274 683303163 /nfs/dbraw/zinc/30/31/63/683303163.db2.gz XZTPGTRCNKQQCE-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000919843274 683303166 /nfs/dbraw/zinc/30/31/66/683303166.db2.gz XZTPGTRCNKQQCE-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798160218 683315728 /nfs/dbraw/zinc/31/57/28/683315728.db2.gz GDQSRGISNQGHCC-SNVBAGLBSA-N 1 1 371.235 2.357 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@H+]1C ZINC000798173279 683317428 /nfs/dbraw/zinc/31/74/28/683317428.db2.gz WJDLVVPZWALBJN-UWVGGRQHSA-N 1 1 371.235 2.307 20 5 FEBDMO CCOc1ccc(C(=O)OC[C@@H]2CCC[N@H+]2CCOC)cc1[N+](=O)[O-] ZINC000861031943 683333869 /nfs/dbraw/zinc/33/38/69/683333869.db2.gz DEXRRUKJYUJWLK-AWEZNQCLSA-N 1 1 352.387 2.261 20 5 FEBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928094080 683383720 /nfs/dbraw/zinc/38/37/20/683383720.db2.gz ZMHXRFVEQOHTEP-KGLIPLIRSA-N 1 1 371.409 2.383 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928094080 683383729 /nfs/dbraw/zinc/38/37/29/683383729.db2.gz ZMHXRFVEQOHTEP-KGLIPLIRSA-N 1 1 371.409 2.383 20 5 FEBDMO O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928102821 683393065 /nfs/dbraw/zinc/39/30/65/683393065.db2.gz OBKDSVLCCMVHTE-JSGCOSHPSA-N 1 1 367.496 2.383 20 5 FEBDMO O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928102821 683393073 /nfs/dbraw/zinc/39/30/73/683393073.db2.gz OBKDSVLCCMVHTE-JSGCOSHPSA-N 1 1 367.496 2.383 20 5 FEBDMO C[C@@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000928440920 683451446 /nfs/dbraw/zinc/45/14/46/683451446.db2.gz ODASTVMLOFCCSM-RNCFNFMXSA-N 1 1 356.220 2.109 20 5 FEBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861985475 683510153 /nfs/dbraw/zinc/51/01/53/683510153.db2.gz WEGLEVQFNGAYED-UHFFFAOYSA-N 1 1 351.378 2.061 20 5 FEBDMO COC[C@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(C)C ZINC000929261910 683570033 /nfs/dbraw/zinc/57/00/33/683570033.db2.gz QVPLDMRUGAMXSA-ZDUSSCGKSA-N 1 1 355.460 2.333 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000862792965 683634686 /nfs/dbraw/zinc/63/46/86/683634686.db2.gz GUBSWEMUZZDHJE-JTQLQIEISA-N 1 1 371.235 2.214 20 5 FEBDMO C[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000865143335 683941778 /nfs/dbraw/zinc/94/17/78/683941778.db2.gz VSSWNTKNSUZDLU-JTQLQIEISA-N 1 1 370.247 2.499 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000866863716 684170504 /nfs/dbraw/zinc/17/05/04/684170504.db2.gz SIMXRRRMPOHUHI-NWDGAFQWSA-N 1 1 359.423 2.146 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000868391755 684489961 /nfs/dbraw/zinc/48/99/61/684489961.db2.gz NPQBSEUFYIRBQY-XHDPSFHLSA-N 1 1 352.822 2.484 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000910928810 685140429 /nfs/dbraw/zinc/14/04/29/685140429.db2.gz RVNMSEMPSVIZMR-QWHCGFSZSA-N 1 1 369.849 2.094 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)c(CN2CC[NH+](CCc3cnccn3)CC2)c1 ZINC000877703350 686441175 /nfs/dbraw/zinc/44/11/75/686441175.db2.gz CXOUBAMGBBEHNT-UHFFFAOYSA-N 1 1 361.833 2.399 20 5 FEBDMO C[N@H+]1CCCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000877935644 686485034 /nfs/dbraw/zinc/48/50/34/686485034.db2.gz QBOWFDTUTIBCDN-UHFFFAOYSA-N 1 1 351.794 2.436 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000878640326 686626051 /nfs/dbraw/zinc/62/60/51/686626051.db2.gz HNAWTDCZYBDONJ-QMTHXVAHSA-N 1 1 363.805 2.434 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000878640324 686626150 /nfs/dbraw/zinc/62/61/50/686626150.db2.gz HNAWTDCZYBDONJ-HZMBPMFUSA-N 1 1 363.805 2.434 20 5 FEBDMO COc1cc(C[N@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)c([N+](=O)[O-])cc1F ZINC000879487206 686834844 /nfs/dbraw/zinc/83/48/44/686834844.db2.gz VLNGPQQIBXYQDM-MRXNPFEDSA-N 1 1 351.378 2.218 20 5 FEBDMO COc1cc(C[N@@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)c([N+](=O)[O-])cc1F ZINC000879487206 686834849 /nfs/dbraw/zinc/83/48/49/686834849.db2.gz VLNGPQQIBXYQDM-MRXNPFEDSA-N 1 1 351.378 2.218 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880135186 687003900 /nfs/dbraw/zinc/00/39/00/687003900.db2.gz RITXYLZJGCISHP-LSDHHAIUSA-N 1 1 352.822 2.355 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCSC[C@H]2c2ccccc2)c1 ZINC000880388757 687043162 /nfs/dbraw/zinc/04/31/62/687043162.db2.gz UTFJJTRBUKMVQM-SJORKVTESA-N 1 1 362.455 2.332 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000881784899 687214962 /nfs/dbraw/zinc/21/49/62/687214962.db2.gz QDBCCONFZCNNQQ-NSHDSACASA-N 1 1 373.862 2.319 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000884954480 687973252 /nfs/dbraw/zinc/97/32/52/687973252.db2.gz FNOZMBXJRDXROK-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO CSc1cccc(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000885879067 688176416 /nfs/dbraw/zinc/17/64/16/688176416.db2.gz CPYMNZJLQVWSGR-CYBMUJFWSA-N 1 1 365.455 2.300 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000888279313 688576370 /nfs/dbraw/zinc/57/63/70/688576370.db2.gz ATOUCABCWXRCBA-NWDGAFQWSA-N 1 1 370.837 2.475 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000888279313 688576372 /nfs/dbraw/zinc/57/63/72/688576372.db2.gz ATOUCABCWXRCBA-NWDGAFQWSA-N 1 1 370.837 2.475 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000888283256 688577162 /nfs/dbraw/zinc/57/71/62/688577162.db2.gz LVCNPANRDKNBLN-NSHDSACASA-N 1 1 356.810 2.087 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000888283256 688577165 /nfs/dbraw/zinc/57/71/65/688577165.db2.gz LVCNPANRDKNBLN-NSHDSACASA-N 1 1 356.810 2.087 20 5 FEBDMO C[C@@H]1[C@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[N@@H+]1C ZINC000895741025 689764267 /nfs/dbraw/zinc/76/42/67/689764267.db2.gz WQXBOZUGVGWIPQ-ZWNOBZJWSA-N 1 1 363.805 2.299 20 5 FEBDMO C[C@@H]1[C@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[N@H+]1C ZINC000895741025 689764273 /nfs/dbraw/zinc/76/42/73/689764273.db2.gz WQXBOZUGVGWIPQ-ZWNOBZJWSA-N 1 1 363.805 2.299 20 5 FEBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+](CCF)C1 ZINC000898490511 690192717 /nfs/dbraw/zinc/19/27/17/690192717.db2.gz SJHZPKHRJSSDOY-HNNXBMFYSA-N 1 1 352.410 2.337 20 5 FEBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+](CCF)C1 ZINC000898490511 690192719 /nfs/dbraw/zinc/19/27/19/690192719.db2.gz SJHZPKHRJSSDOY-HNNXBMFYSA-N 1 1 352.410 2.337 20 5 FEBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000906201356 691241797 /nfs/dbraw/zinc/24/17/97/691241797.db2.gz PDDBWPDCNHGOCP-JSGCOSHPSA-N 1 1 357.382 2.183 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000906201356 691241799 /nfs/dbraw/zinc/24/17/99/691241799.db2.gz PDDBWPDCNHGOCP-JSGCOSHPSA-N 1 1 357.382 2.183 20 5 FEBDMO Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164868326 721047540 /nfs/dbraw/zinc/04/75/40/721047540.db2.gz NTSWVYCIQFWWAO-IRXDYDNUSA-N 1 1 369.425 2.173 20 5 FEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867767 721062345 /nfs/dbraw/zinc/06/23/45/721062345.db2.gz KHFBZZKQKBWFRB-HOTGVXAUSA-N 1 1 373.388 2.004 20 5 FEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@@H]2CCCO[C@H]12 ZINC001164803150 721537714 /nfs/dbraw/zinc/53/77/14/721537714.db2.gz IHUWRWPERZXOSR-MDZRGWNJSA-N 1 1 369.425 2.253 20 5 FEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@@H]2CCCO[C@H]12 ZINC001164803150 721537718 /nfs/dbraw/zinc/53/77/18/721537718.db2.gz IHUWRWPERZXOSR-MDZRGWNJSA-N 1 1 369.425 2.253 20 5 FEBDMO COc1cc(N2CC[NH+](CCOc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001165044341 721955363 /nfs/dbraw/zinc/95/53/63/721955363.db2.gz MFVMCMJCNWSEBP-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1Cl ZINC001164966814 722070128 /nfs/dbraw/zinc/07/01/28/722070128.db2.gz DIAKJXPQISTERE-BETUJISGSA-N 1 1 352.822 2.251 20 5 FEBDMO CC(C)[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1CCOCC1 ZINC000486441553 854535633 /nfs/dbraw/zinc/53/56/33/854535633.db2.gz JACQOMSGYZWTGE-OAHLLOKOSA-N 1 1 361.402 2.414 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026349482 539785151 /nfs/dbraw/zinc/78/51/51/539785151.db2.gz XVDIFRAJXUIOPC-UHFFFAOYSA-N 1 1 356.382 2.154 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000043346933 540097987 /nfs/dbraw/zinc/09/79/87/540097987.db2.gz FKDKLUKGUDPDOQ-UHFFFAOYSA-N 1 1 363.462 2.442 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000045797396 540228460 /nfs/dbraw/zinc/22/84/60/540228460.db2.gz GWRJJARJCLSCPX-AWEZNQCLSA-N 1 1 369.468 2.379 20 5 FEBDMO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000045851937 540231560 /nfs/dbraw/zinc/23/15/60/540231560.db2.gz ABDNJDMFVSIQPH-MRXNPFEDSA-N 1 1 351.407 2.187 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000047147634 540292324 /nfs/dbraw/zinc/29/23/24/540292324.db2.gz ZRWRUGFRDSYSGO-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000052191137 540457893 /nfs/dbraw/zinc/45/78/93/540457893.db2.gz GPJMDJGSYQYFHW-UHFFFAOYSA-N 1 1 372.303 2.471 20 5 FEBDMO COc1cc(C(=O)NCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC(F)F ZINC000052192004 540458434 /nfs/dbraw/zinc/45/84/34/540458434.db2.gz NELIACKOBFNIBQ-UHFFFAOYSA-N 1 1 370.312 2.140 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000053274929 540523072 /nfs/dbraw/zinc/52/30/72/540523072.db2.gz DXULEIPPFARLKZ-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO CNC(=O)c1ccc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000053555302 540543002 /nfs/dbraw/zinc/54/30/02/540543002.db2.gz CPHAJVIYKYJKPG-CHWSQXEVSA-N 1 1 364.446 2.254 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000053699321 540550388 /nfs/dbraw/zinc/55/03/88/540550388.db2.gz NJUUIDWNOUPJBB-CYBMUJFWSA-N 1 1 355.460 2.384 20 5 FEBDMO C[C@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@@H+](C)C1CC1 ZINC000057720610 540811533 /nfs/dbraw/zinc/81/15/33/540811533.db2.gz XHNGHFVLVVKVKP-CQSZACIVSA-N 1 1 360.458 2.410 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000062120948 541145208 /nfs/dbraw/zinc/14/52/08/541145208.db2.gz JUHDRTIKAOMDCG-TZMCWYRMSA-N 1 1 362.430 2.078 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000066001211 541277506 /nfs/dbraw/zinc/27/75/06/541277506.db2.gz HCWNTQYPUYWXAO-LBPRGKRZSA-N 1 1 373.431 2.377 20 5 FEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000065827111 541264579 /nfs/dbraw/zinc/26/45/79/541264579.db2.gz TZGUGXDBBPPDRW-ZBFHGGJFSA-N 1 1 357.414 2.133 20 5 FEBDMO COc1ccc2c(c1)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000066474797 541322974 /nfs/dbraw/zinc/32/29/74/541322974.db2.gz DZWIOTFHJHAUCE-QGZVFWFLSA-N 1 1 358.394 2.401 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067165102 541428188 /nfs/dbraw/zinc/42/81/88/541428188.db2.gz CGFOJHZMIULZPK-DOTOQJQBSA-N 1 1 355.398 2.137 20 5 FEBDMO COc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000068346463 541579735 /nfs/dbraw/zinc/57/97/35/541579735.db2.gz ROHMDHMWRVZJDD-UHFFFAOYSA-N 1 1 371.459 2.146 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000068778747 541627398 /nfs/dbraw/zinc/62/73/98/541627398.db2.gz HCWOMHCPMYHJAK-UHFFFAOYSA-N 1 1 357.414 2.337 20 5 FEBDMO CN1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000069088624 541656549 /nfs/dbraw/zinc/65/65/49/541656549.db2.gz HXBWLDXGSRLTMH-KRWDZBQOSA-N 1 1 357.410 2.287 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247388608 549328202 /nfs/dbraw/zinc/32/82/02/549328202.db2.gz LXBYZKTWJKNMKA-SUMWQHHRSA-N 1 1 357.414 2.193 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832301 542205653 /nfs/dbraw/zinc/20/56/53/542205653.db2.gz BJWYCJHGERJDAO-MRXNPFEDSA-N 1 1 350.415 2.370 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076485687 542284003 /nfs/dbraw/zinc/28/40/03/542284003.db2.gz RLNNCOWAIOLFLD-WBMJQRKESA-N 1 1 363.414 2.184 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000076659890 542307873 /nfs/dbraw/zinc/30/78/73/542307873.db2.gz PLXWMHUAXDYMBM-AWEZNQCLSA-N 1 1 362.430 2.032 20 5 FEBDMO CCOC(=O)CCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359503 542372866 /nfs/dbraw/zinc/37/28/66/542372866.db2.gz AOBIZGINMGKPPZ-UHFFFAOYSA-N 1 1 363.414 2.086 20 5 FEBDMO CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079806086 542543702 /nfs/dbraw/zinc/54/37/02/542543702.db2.gz ICOZJDBHUMTEPZ-JTQLQIEISA-N 1 1 356.220 2.381 20 5 FEBDMO Nc1nc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ncc1[N+](=O)[O-] ZINC000080697453 542602071 /nfs/dbraw/zinc/60/20/71/542602071.db2.gz KJYVHJCNDYERSK-IBGZPJMESA-N 1 1 368.441 2.460 20 5 FEBDMO COc1ccc(NC(=O)CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000080959954 542618460 /nfs/dbraw/zinc/61/84/60/542618460.db2.gz GXJXIKDLKSWWKT-GFCCVEGCSA-N 1 1 359.386 2.145 20 5 FEBDMO COc1cc(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)cc([N+](=O)[O-])c1C ZINC000802136939 674162755 /nfs/dbraw/zinc/16/27/55/674162755.db2.gz MSHKJIVVNDUVLG-CQSZACIVSA-N 1 1 352.387 2.178 20 5 FEBDMO COc1cc(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)cc([N+](=O)[O-])c1C ZINC000802136939 674162758 /nfs/dbraw/zinc/16/27/58/674162758.db2.gz MSHKJIVVNDUVLG-CQSZACIVSA-N 1 1 352.387 2.178 20 5 FEBDMO Cc1cccc(N2CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000033853108 132378046 /nfs/dbraw/zinc/37/80/46/132378046.db2.gz YQZWAGZXQKGPMY-SFHVURJKSA-N 1 1 371.437 2.465 20 5 FEBDMO Cc1c(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000089962533 542779757 /nfs/dbraw/zinc/77/97/57/542779757.db2.gz ZECJZEZROZWMNX-IAGOWNOFSA-N 1 1 369.421 2.268 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000092660281 542879644 /nfs/dbraw/zinc/87/96/44/542879644.db2.gz UUCNQZPGPKVWJB-LBPRGKRZSA-N 1 1 351.403 2.090 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000105090248 543157925 /nfs/dbraw/zinc/15/79/25/543157925.db2.gz GBIIIVDNYBXKEK-HNNXBMFYSA-N 1 1 363.462 2.426 20 5 FEBDMO COc1cc(OCC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000106791210 543247469 /nfs/dbraw/zinc/24/74/69/543247469.db2.gz BWKQWDVYRLTNLH-CYBMUJFWSA-N 1 1 363.414 2.115 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131089 543315082 /nfs/dbraw/zinc/31/50/82/543315082.db2.gz VZZCERMFEXYGTL-SUMWQHHRSA-N 1 1 355.398 2.303 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@H](c3cc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131089 543315086 /nfs/dbraw/zinc/31/50/86/543315086.db2.gz VZZCERMFEXYGTL-SUMWQHHRSA-N 1 1 355.398 2.303 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000110507368 543359450 /nfs/dbraw/zinc/35/94/50/543359450.db2.gz ZNRKWFZCUBTCLM-OAHLLOKOSA-N 1 1 371.441 2.223 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000110507368 543359453 /nfs/dbraw/zinc/35/94/53/543359453.db2.gz ZNRKWFZCUBTCLM-OAHLLOKOSA-N 1 1 371.441 2.223 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCn1cccn1 ZINC000111280175 543392420 /nfs/dbraw/zinc/39/24/20/543392420.db2.gz PAJLILAWOZRVOF-LLVKDONJSA-N 1 1 351.794 2.404 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCn1cccn1 ZINC000111280175 543392421 /nfs/dbraw/zinc/39/24/21/543392421.db2.gz PAJLILAWOZRVOF-LLVKDONJSA-N 1 1 351.794 2.404 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000113230544 543478096 /nfs/dbraw/zinc/47/80/96/543478096.db2.gz JPKKHZYVPFQLBW-STQMWFEESA-N 1 1 363.414 2.311 20 5 FEBDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000114188150 543506731 /nfs/dbraw/zinc/50/67/31/543506731.db2.gz GMQCETDYGNMJMD-HOCLYGCPSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000114188150 543506734 /nfs/dbraw/zinc/50/67/34/543506734.db2.gz GMQCETDYGNMJMD-HOCLYGCPSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1nn(CCC(=O)NCCC[N@@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000116651367 543612417 /nfs/dbraw/zinc/61/24/17/543612417.db2.gz CGSVNXWCIRWPAG-CYBMUJFWSA-N 1 1 351.451 2.179 20 5 FEBDMO Cc1cc(C)nc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000123239585 543750554 /nfs/dbraw/zinc/75/05/54/543750554.db2.gz BMZXHHDXEDVDMH-UHFFFAOYSA-N 1 1 357.414 2.203 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000123598613 543770889 /nfs/dbraw/zinc/77/08/89/543770889.db2.gz JJBRKHGSLHGGME-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C ZINC000126219189 543924308 /nfs/dbraw/zinc/92/43/08/543924308.db2.gz MMJSVYZBSVYEHG-OLZOCXBDSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C ZINC000126219189 543924312 /nfs/dbraw/zinc/92/43/12/543924312.db2.gz MMJSVYZBSVYEHG-OLZOCXBDSA-N 1 1 353.444 2.115 20 5 FEBDMO CC1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cn2)CC1 ZINC000127791367 544014345 /nfs/dbraw/zinc/01/43/45/544014345.db2.gz GQGZEPUJXOTUHB-UHFFFAOYSA-N 1 1 371.397 2.257 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000128019262 544028016 /nfs/dbraw/zinc/02/80/16/544028016.db2.gz ARMZJUHIYPFJPK-VXGBXAGGSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000128019262 544028018 /nfs/dbraw/zinc/02/80/18/544028018.db2.gz ARMZJUHIYPFJPK-VXGBXAGGSA-N 1 1 353.806 2.231 20 5 FEBDMO CN1CCC[C@H](C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128702672 544068001 /nfs/dbraw/zinc/06/80/01/544068001.db2.gz PLIVPHIDUOEBAB-ZDUSSCGKSA-N 1 1 352.410 2.336 20 5 FEBDMO CN1CCC[C@H](C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128702672 544068003 /nfs/dbraw/zinc/06/80/03/544068003.db2.gz PLIVPHIDUOEBAB-ZDUSSCGKSA-N 1 1 352.410 2.336 20 5 FEBDMO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000129745070 544125780 /nfs/dbraw/zinc/12/57/80/544125780.db2.gz OZZSLQLNRVNXMQ-KDOFPFPSSA-N 1 1 369.425 2.264 20 5 FEBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000129745070 544125782 /nfs/dbraw/zinc/12/57/82/544125782.db2.gz OZZSLQLNRVNXMQ-KDOFPFPSSA-N 1 1 369.425 2.264 20 5 FEBDMO C[NH+](C)[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000135537568 544351585 /nfs/dbraw/zinc/35/15/85/544351585.db2.gz IUVFOGFUQOYTOG-CRAIPNDOSA-N 1 1 369.425 2.306 20 5 FEBDMO C[N@@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000140020188 544406711 /nfs/dbraw/zinc/40/67/11/544406711.db2.gz ZXNKVERWERUOSI-VIFPVBQESA-N 1 1 367.349 2.394 20 5 FEBDMO C[N@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000140020188 544406713 /nfs/dbraw/zinc/40/67/13/544406713.db2.gz ZXNKVERWERUOSI-VIFPVBQESA-N 1 1 367.349 2.394 20 5 FEBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000137046531 544383257 /nfs/dbraw/zinc/38/32/57/544383257.db2.gz YLVHFNCEAZCBDS-CYBMUJFWSA-N 1 1 367.833 2.433 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000142419220 544416784 /nfs/dbraw/zinc/41/67/84/544416784.db2.gz VLRHHEWCBXGHBR-OAHLLOKOSA-N 1 1 361.398 2.082 20 5 FEBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)CCO1 ZINC000146058137 544437349 /nfs/dbraw/zinc/43/73/49/544437349.db2.gz ZMCAMJUTDDYCKS-ZDUSSCGKSA-N 1 1 358.398 2.074 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)CCO1 ZINC000146058137 544437355 /nfs/dbraw/zinc/43/73/55/544437355.db2.gz ZMCAMJUTDDYCKS-ZDUSSCGKSA-N 1 1 358.398 2.074 20 5 FEBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000153119856 544736216 /nfs/dbraw/zinc/73/62/16/544736216.db2.gz SBQKDWFJVDUANA-UHFFFAOYSA-N 1 1 359.430 2.208 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153738177 544815677 /nfs/dbraw/zinc/81/56/77/544815677.db2.gz JNVAJHDHCILSAJ-CQSZACIVSA-N 1 1 353.854 2.250 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183185328 327805927 /nfs/dbraw/zinc/80/59/27/327805927.db2.gz JFXNVMPTZZGDDT-KRWDZBQOSA-N 1 1 371.397 2.189 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000187458425 328027026 /nfs/dbraw/zinc/02/70/26/328027026.db2.gz BZYYVEQIWIKAHA-GOSISDBHSA-N 1 1 371.441 2.208 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000189149781 328131395 /nfs/dbraw/zinc/13/13/95/328131395.db2.gz ZMMPRVTWZMFKJW-JSGCOSHPSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000190007305 328181962 /nfs/dbraw/zinc/18/19/62/328181962.db2.gz ITIWKHBXDDKQGP-KBPBESRZSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000190036627 328183926 /nfs/dbraw/zinc/18/39/26/328183926.db2.gz ODZRHUGIAQMIMM-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191322633 328260262 /nfs/dbraw/zinc/26/02/62/328260262.db2.gz CPOQBZUFFKUUDX-CQSZACIVSA-N 1 1 350.419 2.132 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]2C1 ZINC000192512240 328322904 /nfs/dbraw/zinc/32/29/04/328322904.db2.gz BSEVHYRNDJTKLQ-BETUJISGSA-N 1 1 358.423 2.352 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000081048255 325156991 /nfs/dbraw/zinc/15/69/91/325156991.db2.gz BQPDEEVJLLLSCG-CQSZACIVSA-N 1 1 361.320 2.231 20 5 FEBDMO Nc1c(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000081293441 325168527 /nfs/dbraw/zinc/16/85/27/325168527.db2.gz LBHACNIKYDJODH-CYBMUJFWSA-N 1 1 350.394 2.310 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083171072 325214058 /nfs/dbraw/zinc/21/40/58/325214058.db2.gz NQZKNHZXSCCWGZ-MRXNPFEDSA-N 1 1 373.457 2.338 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000090462990 325359880 /nfs/dbraw/zinc/35/98/80/325359880.db2.gz GCZWROAJRPYZNZ-OLZOCXBDSA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000090462990 325359882 /nfs/dbraw/zinc/35/98/82/325359882.db2.gz GCZWROAJRPYZNZ-OLZOCXBDSA-N 1 1 365.455 2.300 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000090519091 325361953 /nfs/dbraw/zinc/36/19/53/325361953.db2.gz LHPLJLKOIGMQJH-SFHVURJKSA-N 1 1 357.410 2.438 20 5 FEBDMO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)Nc1c(C)cccc1C ZINC000090554698 325363248 /nfs/dbraw/zinc/36/32/48/325363248.db2.gz FODQKLVDSIYPFQ-UHFFFAOYSA-N 1 1 372.425 2.334 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)Nc1c(C)cccc1C ZINC000090554698 325363251 /nfs/dbraw/zinc/36/32/51/325363251.db2.gz FODQKLVDSIYPFQ-UHFFFAOYSA-N 1 1 372.425 2.334 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109001946 325655424 /nfs/dbraw/zinc/65/54/24/325655424.db2.gz XIQQTOKRUKIMMJ-UHFFFAOYSA-N 1 1 360.458 2.284 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000118112786 326082230 /nfs/dbraw/zinc/08/22/30/326082230.db2.gz NEYVLLMOXDKBJO-AWEZNQCLSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@@H](NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000118866528 326110020 /nfs/dbraw/zinc/11/00/20/326110020.db2.gz IZDZFCFWAXHNOM-ZBFHGGJFSA-N 1 1 369.425 2.353 20 5 FEBDMO C[C@@H](NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000118866528 326110024 /nfs/dbraw/zinc/11/00/24/326110024.db2.gz IZDZFCFWAXHNOM-ZBFHGGJFSA-N 1 1 369.425 2.353 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000119446082 326163425 /nfs/dbraw/zinc/16/34/25/326163425.db2.gz NOCPUDGYWGZQAH-LLVKDONJSA-N 1 1 373.862 2.319 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000119445956 326163616 /nfs/dbraw/zinc/16/36/16/326163616.db2.gz NOCPUDGYWGZQAH-NSHDSACASA-N 1 1 373.862 2.319 20 5 FEBDMO COc1cc(OCC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000119545341 326174195 /nfs/dbraw/zinc/17/41/95/326174195.db2.gz IIXFYPQJRJJFJR-AWEZNQCLSA-N 1 1 365.430 2.076 20 5 FEBDMO Cc1c(Br)cc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000119778939 326197272 /nfs/dbraw/zinc/19/72/72/326197272.db2.gz SKYBNQFLDULPKZ-NSHDSACASA-N 1 1 356.220 2.490 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000119779169 326197413 /nfs/dbraw/zinc/19/74/13/326197413.db2.gz SNULBIQLCBMCQH-HNNXBMFYSA-N 1 1 371.441 2.488 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000122170189 326386556 /nfs/dbraw/zinc/38/65/56/326386556.db2.gz XHKABQBELVZLOY-ZBFHGGJFSA-N 1 1 374.441 2.093 20 5 FEBDMO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000122280604 326390716 /nfs/dbraw/zinc/39/07/16/326390716.db2.gz KSTSXWQPPVSDHV-DOTOQJQBSA-N 1 1 372.425 2.224 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000159260727 326924756 /nfs/dbraw/zinc/92/47/56/326924756.db2.gz RNLDOBOVTVHFJY-UHFFFAOYSA-N 1 1 356.382 2.269 20 5 FEBDMO COc1cc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000159414140 326930533 /nfs/dbraw/zinc/93/05/33/326930533.db2.gz JVAYQZGDZQJKAG-OAHLLOKOSA-N 1 1 365.430 2.080 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162185287 327019005 /nfs/dbraw/zinc/01/90/05/327019005.db2.gz XXUBAENWHXVDCU-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000163612911 327055152 /nfs/dbraw/zinc/05/51/52/327055152.db2.gz GPWUFZHDHALEOS-GDBMZVCRSA-N 1 1 369.487 2.129 20 5 FEBDMO COCC[N@@H+](C)CCNC(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171127670 327119967 /nfs/dbraw/zinc/11/99/67/327119967.db2.gz ACAZUQVGJHUQNI-UHFFFAOYSA-N 1 1 364.427 2.026 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171902793 327168902 /nfs/dbraw/zinc/16/89/02/327168902.db2.gz ATUZIMBBESNLPN-CJNGLKHVSA-N 1 1 350.419 2.066 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173259855 327244806 /nfs/dbraw/zinc/24/48/06/327244806.db2.gz IPIGHEZTMUJLDO-CJNGLKHVSA-N 1 1 355.460 2.087 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000173288286 327247136 /nfs/dbraw/zinc/24/71/36/327247136.db2.gz YOTARQXFUBGLIY-KRWDZBQOSA-N 1 1 360.458 2.145 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000173518602 327263412 /nfs/dbraw/zinc/26/34/12/327263412.db2.gz RQMYHUPCAHCNKN-HNNXBMFYSA-N 1 1 371.441 2.223 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000173828132 327287247 /nfs/dbraw/zinc/28/72/47/327287247.db2.gz JJHDEDZOXVDWHV-HOCLYGCPSA-N 1 1 367.471 2.405 20 5 FEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C2 ZINC000173850322 327288871 /nfs/dbraw/zinc/28/88/71/327288871.db2.gz BEJGLRSZNFWGNN-QWHCGFSZSA-N 1 1 371.434 2.370 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000174421530 327326449 /nfs/dbraw/zinc/32/64/49/327326449.db2.gz JZTDQKOTGQTAST-UHFFFAOYSA-N 1 1 364.446 2.396 20 5 FEBDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174708287 327344669 /nfs/dbraw/zinc/34/46/69/327344669.db2.gz LMEVEQFVHJRTFR-AAEUAGOBSA-N 1 1 361.427 2.455 20 5 FEBDMO O=C(C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000174810260 327352583 /nfs/dbraw/zinc/35/25/83/327352583.db2.gz SEBOGMJIUPBKKE-UHFFFAOYSA-N 1 1 367.833 2.319 20 5 FEBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000175116519 327375120 /nfs/dbraw/zinc/37/51/20/327375120.db2.gz GQIKTOZCMILNPZ-UHFFFAOYSA-N 1 1 356.382 2.276 20 5 FEBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261948108 328831032 /nfs/dbraw/zinc/83/10/32/328831032.db2.gz LHBUAKFDQBDQFR-KRWDZBQOSA-N 1 1 355.394 2.319 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264639965 329043606 /nfs/dbraw/zinc/04/36/06/329043606.db2.gz XJTWGPXYXBVGRK-KRWDZBQOSA-N 1 1 362.474 2.076 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000264663723 329045842 /nfs/dbraw/zinc/04/58/42/329045842.db2.gz JLDMWURYTLODAM-CYBMUJFWSA-N 1 1 373.413 2.132 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000264942406 329077025 /nfs/dbraw/zinc/07/70/25/329077025.db2.gz WIHWGDCCJOGOKO-CQSZACIVSA-N 1 1 374.441 2.344 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000266530216 329233171 /nfs/dbraw/zinc/23/31/71/329233171.db2.gz LXOWVAJFZJAMIY-XJKSGUPXSA-N 1 1 350.806 2.295 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000266787754 329259777 /nfs/dbraw/zinc/25/97/77/329259777.db2.gz CCBMHTMBDDSRSB-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO CC[C@@H](NC(=O)NCCC[N@@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000267297179 329311848 /nfs/dbraw/zinc/31/18/48/329311848.db2.gz DXHCIHLTDLUADA-MRXNPFEDSA-N 1 1 352.435 2.313 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267324449 329314985 /nfs/dbraw/zinc/31/49/85/329314985.db2.gz ZMSTYQVEMWZKRS-STQMWFEESA-N 1 1 353.444 2.061 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000267371014 329320175 /nfs/dbraw/zinc/32/01/75/329320175.db2.gz YGNBCNFSBGJRHZ-CQSZACIVSA-N 1 1 350.419 2.087 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268072356 329382512 /nfs/dbraw/zinc/38/25/12/329382512.db2.gz DAXYCEKIMMTKIS-ZDUSSCGKSA-N 1 1 363.414 2.397 20 5 FEBDMO CN(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)cc[nH+]1 ZINC000272103545 329752460 /nfs/dbraw/zinc/75/24/60/329752460.db2.gz QFAIBBXEBNREDI-UHFFFAOYSA-N 1 1 371.397 2.145 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000272289778 329767048 /nfs/dbraw/zinc/76/70/48/329767048.db2.gz HBDRPMGTJHNNOF-AWEZNQCLSA-N 1 1 369.425 2.280 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367155195 330223368 /nfs/dbraw/zinc/22/33/68/330223368.db2.gz BHMLLRKULQGSRK-SJORKVTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367155195 330223370 /nfs/dbraw/zinc/22/33/70/330223370.db2.gz BHMLLRKULQGSRK-SJORKVTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000367201034 330229051 /nfs/dbraw/zinc/22/90/51/330229051.db2.gz QSNVKFCZVVDHJM-YVEFUNNKSA-N 1 1 350.419 2.272 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000367201034 330229052 /nfs/dbraw/zinc/22/90/52/330229052.db2.gz QSNVKFCZVVDHJM-YVEFUNNKSA-N 1 1 350.419 2.272 20 5 FEBDMO COCC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433178010 330274824 /nfs/dbraw/zinc/27/48/24/330274824.db2.gz BJXMFVSWWTZRNP-AWEZNQCLSA-N 1 1 353.444 2.038 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000804775603 674300715 /nfs/dbraw/zinc/30/07/15/674300715.db2.gz LQDYWQDGDPJOML-LBPRGKRZSA-N 1 1 350.375 2.416 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000161308404 546118822 /nfs/dbraw/zinc/11/88/22/546118822.db2.gz VLHZJRTWYZQBLX-GDBMZVCRSA-N 1 1 369.425 2.337 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170639336 546168079 /nfs/dbraw/zinc/16/80/79/546168079.db2.gz KMMMUIWGZJRRSJ-AWEZNQCLSA-N 1 1 362.430 2.248 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000176285229 546426954 /nfs/dbraw/zinc/42/69/54/546426954.db2.gz WANNZTXJTOGVTH-CYBMUJFWSA-N 1 1 353.423 2.123 20 5 FEBDMO C[N@@H+](CCNC(=O)COc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000177062626 546536173 /nfs/dbraw/zinc/53/61/73/546536173.db2.gz CATMROHRSVRMNU-UHFFFAOYSA-N 1 1 361.373 2.361 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000177796242 546688895 /nfs/dbraw/zinc/68/88/95/546688895.db2.gz JTGOBMKNNLTRSG-PBHICJAKSA-N 1 1 369.425 2.479 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178307640 546773395 /nfs/dbraw/zinc/77/33/95/546773395.db2.gz GJSCUXJNEYMIQI-HZPDHXFCSA-N 1 1 369.425 2.337 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@H+](C)C1CCCC1 ZINC000481375569 561231683 /nfs/dbraw/zinc/23/16/83/561231683.db2.gz PGGKLDMXZYMLFN-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)cc1F ZINC000180547799 547128555 /nfs/dbraw/zinc/12/85/55/547128555.db2.gz NDCVTQZGEBQPPW-UHFFFAOYSA-N 1 1 370.344 2.135 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1Cc1ccccc1 ZINC000180582661 547135117 /nfs/dbraw/zinc/13/51/17/547135117.db2.gz SWMKGGBHGAPCJF-UKRRQHHQSA-N 1 1 369.425 2.355 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)o2)cc1 ZINC000483052141 561266025 /nfs/dbraw/zinc/26/60/25/561266025.db2.gz AGQMGXHXGYYPJP-INIZCTEOSA-N 1 1 374.397 2.415 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000181290158 547287563 /nfs/dbraw/zinc/28/75/63/547287563.db2.gz XONUNDHLTGCOBM-HNNXBMFYSA-N 1 1 367.413 2.456 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181484438 547322175 /nfs/dbraw/zinc/32/21/75/547322175.db2.gz AJVQJEFOUYJTMD-BBRMVZONSA-N 1 1 365.430 2.415 20 5 FEBDMO CNC(=O)C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000483414871 561276650 /nfs/dbraw/zinc/27/66/50/561276650.db2.gz JDMSLRZMIHMPGY-QGZVFWFLSA-N 1 1 370.409 2.025 20 5 FEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182207625 547453467 /nfs/dbraw/zinc/45/34/67/547453467.db2.gz IAOQYFRDLUUNAR-CQSZACIVSA-N 1 1 361.354 2.375 20 5 FEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182207625 547453471 /nfs/dbraw/zinc/45/34/71/547453471.db2.gz IAOQYFRDLUUNAR-CQSZACIVSA-N 1 1 361.354 2.375 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000182853254 547561801 /nfs/dbraw/zinc/56/18/01/547561801.db2.gz LKWRNXKCTVVMIT-ZBFHGGJFSA-N 1 1 367.471 2.464 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000182853254 547561806 /nfs/dbraw/zinc/56/18/06/547561806.db2.gz LKWRNXKCTVVMIT-ZBFHGGJFSA-N 1 1 367.471 2.464 20 5 FEBDMO CN1CCN([C@H]2CCCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000182909915 547571158 /nfs/dbraw/zinc/57/11/58/547571158.db2.gz FRFROMJPJXADKD-SFHVURJKSA-N 1 1 362.474 2.076 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183662501 547697289 /nfs/dbraw/zinc/69/72/89/547697289.db2.gz QIODNEQPDRYGLV-INIZCTEOSA-N 1 1 369.487 2.321 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000184246183 547793624 /nfs/dbraw/zinc/79/36/24/547793624.db2.gz PCCWUPVVCKNMOQ-CYBMUJFWSA-N 1 1 365.405 2.481 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000184246183 547793630 /nfs/dbraw/zinc/79/36/30/547793630.db2.gz PCCWUPVVCKNMOQ-CYBMUJFWSA-N 1 1 365.405 2.481 20 5 FEBDMO COc1cccc(NCCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000185153313 547942056 /nfs/dbraw/zinc/94/20/56/547942056.db2.gz JGXBCPNDLXKLBO-UHFFFAOYSA-N 1 1 372.429 2.018 20 5 FEBDMO COc1ccccc1[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC000485619412 561324156 /nfs/dbraw/zinc/32/41/56/561324156.db2.gz IJILEUXVKBSOFG-OAHLLOKOSA-N 1 1 358.398 2.218 20 5 FEBDMO CCN1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)(C)C1=O ZINC000186540564 548150102 /nfs/dbraw/zinc/15/01/02/548150102.db2.gz CAPIXNLPNBOZJH-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO CCN1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)(C)C1=O ZINC000186540564 548150105 /nfs/dbraw/zinc/15/01/05/548150105.db2.gz CAPIXNLPNBOZJH-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO C[C@@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000194758567 548529022 /nfs/dbraw/zinc/52/90/22/548529022.db2.gz DUDPCPSURGJWMX-HZSPNIEDSA-N 1 1 367.421 2.405 20 5 FEBDMO C[C@@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000194758567 548529026 /nfs/dbraw/zinc/52/90/26/548529026.db2.gz DUDPCPSURGJWMX-HZSPNIEDSA-N 1 1 367.421 2.405 20 5 FEBDMO COc1ccc(C[N@H+]2CCC[C@H](c3nc(N(C)C)no3)C2)cc1[N+](=O)[O-] ZINC000194925022 548552462 /nfs/dbraw/zinc/55/24/62/548552462.db2.gz XJLJZDSWWGHTRP-ZDUSSCGKSA-N 1 1 361.402 2.432 20 5 FEBDMO CCc1nn(C)c(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000195271017 548608028 /nfs/dbraw/zinc/60/80/28/548608028.db2.gz NWXJRIQXCKICHI-INIZCTEOSA-N 1 1 373.457 2.460 20 5 FEBDMO CC(C)[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000487914578 561378690 /nfs/dbraw/zinc/37/86/90/561378690.db2.gz JFJSNVQRHAUNKL-QGZVFWFLSA-N 1 1 357.458 2.249 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245771116 548992681 /nfs/dbraw/zinc/99/26/81/548992681.db2.gz XFJRMUDBQUWWMM-YOEHRIQHSA-N 1 1 369.487 2.129 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000246150961 549063770 /nfs/dbraw/zinc/06/37/70/549063770.db2.gz LAOXYFNAQLSEKK-CABCVRRESA-N 1 1 367.471 2.459 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246328529 549107370 /nfs/dbraw/zinc/10/73/70/549107370.db2.gz KZERZRSALOWNQK-YPMHNXCESA-N 1 1 352.822 2.355 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)C1CC1 ZINC000246555992 549161228 /nfs/dbraw/zinc/16/12/28/549161228.db2.gz KQFDIIWDNQMYJN-IAGOWNOFSA-N 1 1 350.415 2.116 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000246806142 549217405 /nfs/dbraw/zinc/21/74/05/549217405.db2.gz AJBXVDKDKQFQNF-GJZGRUSLSA-N 1 1 367.471 2.459 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000246927495 549244347 /nfs/dbraw/zinc/24/43/47/549244347.db2.gz JPTKEIWYNHMEHL-KGLIPLIRSA-N 1 1 363.414 2.067 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCO[C@H]1C ZINC000489442791 561411477 /nfs/dbraw/zinc/41/14/77/561411477.db2.gz WOTWPFQGDSRCBA-WMLDXEAASA-N 1 1 365.430 2.358 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249492403 549596511 /nfs/dbraw/zinc/59/65/11/549596511.db2.gz FNHIQTJUGRLFMN-GJZGRUSLSA-N 1 1 351.447 2.269 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000249659173 549615470 /nfs/dbraw/zinc/61/54/70/549615470.db2.gz VVCWICDKCQEHEK-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000489831115 561420010 /nfs/dbraw/zinc/42/00/10/561420010.db2.gz AOVWGCCVNWJDPM-NSHDSACASA-N 1 1 372.351 2.423 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000253358743 549683965 /nfs/dbraw/zinc/68/39/65/549683965.db2.gz RTLDUQBARJXQEQ-OCCSQVGLSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255081063 549703065 /nfs/dbraw/zinc/70/30/65/549703065.db2.gz FZDLGIGFXNIZMI-BQLWYNFJSA-N 1 1 372.469 2.237 20 5 FEBDMO O=C([C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000255227000 549704239 /nfs/dbraw/zinc/70/42/39/549704239.db2.gz LKACMHOVNDOMDX-YEODSOHDSA-N 1 1 359.426 2.321 20 5 FEBDMO O=C([C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000255227000 549704243 /nfs/dbraw/zinc/70/42/43/549704243.db2.gz LKACMHOVNDOMDX-YEODSOHDSA-N 1 1 359.426 2.321 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268535771 550083376 /nfs/dbraw/zinc/08/33/76/550083376.db2.gz JSMUYENHMAJPRP-QGZVFWFLSA-N 1 1 371.441 2.223 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@@H]21 ZINC000268831396 550121239 /nfs/dbraw/zinc/12/12/39/550121239.db2.gz MKVMUJTULZBPTE-HIFRSBDPSA-N 1 1 360.414 2.472 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCS[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000268975589 550139832 /nfs/dbraw/zinc/13/98/32/550139832.db2.gz OVKSCCFOZSRNIN-CJNGLKHVSA-N 1 1 354.428 2.189 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000493036943 561454287 /nfs/dbraw/zinc/45/42/87/561454287.db2.gz XHXMCBGSXCJDPE-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(OC)cc1OC ZINC000270579493 550285726 /nfs/dbraw/zinc/28/57/26/550285726.db2.gz QEXTWUYGDQBTDX-UHFFFAOYSA-N 1 1 361.398 2.296 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000270696037 550298026 /nfs/dbraw/zinc/29/80/26/550298026.db2.gz RYQBAHSAUXETTN-CQSZACIVSA-N 1 1 360.414 2.043 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272386010 550442934 /nfs/dbraw/zinc/44/29/34/550442934.db2.gz IKOQXAYRNNRPQT-FZMZJTMJSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272386010 550442936 /nfs/dbraw/zinc/44/29/36/550442936.db2.gz IKOQXAYRNNRPQT-FZMZJTMJSA-N 1 1 373.862 2.271 20 5 FEBDMO CC(C)Cn1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000273371391 550495734 /nfs/dbraw/zinc/49/57/34/550495734.db2.gz FESQETVJYXZXIG-UHFFFAOYSA-N 1 1 366.443 2.011 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000274133130 550524502 /nfs/dbraw/zinc/52/45/02/550524502.db2.gz CWHAWIQCQGMPSA-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000274133130 550524503 /nfs/dbraw/zinc/52/45/03/550524503.db2.gz CWHAWIQCQGMPSA-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCc3cc[nH]c(=O)c3C2)cccc1[N+](=O)[O-] ZINC000276992749 550619381 /nfs/dbraw/zinc/61/93/81/550619381.db2.gz UZWICHZGPAUPPY-UHFFFAOYSA-N 1 1 356.382 2.391 20 5 FEBDMO Cn1cc([C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000277630398 550694178 /nfs/dbraw/zinc/69/41/78/550694178.db2.gz BEUJPFWASLSWFE-ZFWWWQNUSA-N 1 1 350.806 2.190 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277686687 550701503 /nfs/dbraw/zinc/70/15/03/550701503.db2.gz GSVVWZQTABFWNY-WMZOPIPTSA-N 1 1 374.441 2.323 20 5 FEBDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000278041177 550742174 /nfs/dbraw/zinc/74/21/74/550742174.db2.gz CHSGTSZTOHZMLS-ZIAGYGMSSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000278041177 550742176 /nfs/dbraw/zinc/74/21/76/550742176.db2.gz CHSGTSZTOHZMLS-ZIAGYGMSSA-N 1 1 358.822 2.094 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000278843128 550827832 /nfs/dbraw/zinc/82/78/32/550827832.db2.gz PTFARFRYJLQHQA-BETUJISGSA-N 1 1 366.418 2.176 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000278843128 550827834 /nfs/dbraw/zinc/82/78/34/550827834.db2.gz PTFARFRYJLQHQA-BETUJISGSA-N 1 1 366.418 2.176 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000278887919 550832678 /nfs/dbraw/zinc/83/26/78/550832678.db2.gz PVZJTPIELBPCFK-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000280485869 550999228 /nfs/dbraw/zinc/99/92/28/550999228.db2.gz LVYMLRVGSJJLIO-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000280485869 550999229 /nfs/dbraw/zinc/99/92/29/550999229.db2.gz LVYMLRVGSJJLIO-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280566608 551008376 /nfs/dbraw/zinc/00/83/76/551008376.db2.gz RQBIRKIVNGGRHO-RDTXWAMCSA-N 1 1 363.414 2.112 20 5 FEBDMO COc1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000281576090 551115399 /nfs/dbraw/zinc/11/53/99/551115399.db2.gz FMBACBOAQVCJQE-UHFFFAOYSA-N 1 1 352.435 2.050 20 5 FEBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282106649 551181247 /nfs/dbraw/zinc/18/12/47/551181247.db2.gz KLXVRUWULNNFPT-AWEZNQCLSA-N 1 1 372.425 2.261 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497534552 561503403 /nfs/dbraw/zinc/50/34/03/561503403.db2.gz RDSNNFZHQFJZMB-AWEZNQCLSA-N 1 1 367.471 2.166 20 5 FEBDMO CS(=O)(=O)c1cccc(N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000497548979 561503595 /nfs/dbraw/zinc/50/35/95/561503595.db2.gz MDWVXRYWGUQWTQ-UHFFFAOYSA-N 1 1 350.400 2.105 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157270 551320778 /nfs/dbraw/zinc/32/07/78/551320778.db2.gz CTLRIEYBOSKLSG-JSGCOSHPSA-N 1 1 361.320 2.311 20 5 FEBDMO Cc1cc(F)c(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000283672148 551406966 /nfs/dbraw/zinc/40/69/66/551406966.db2.gz DZPNWFKSWTYHBS-LBPRGKRZSA-N 1 1 367.425 2.047 20 5 FEBDMO Cc1noc([C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000498346298 561522884 /nfs/dbraw/zinc/52/28/84/561522884.db2.gz WPYHKSAJBQCVSS-MRXNPFEDSA-N 1 1 362.386 2.423 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498549147 561527833 /nfs/dbraw/zinc/52/78/33/561527833.db2.gz GBTLKMFDFCJUQP-ZIAGYGMSSA-N 1 1 357.414 2.335 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1F ZINC000284916071 551666134 /nfs/dbraw/zinc/66/61/34/551666134.db2.gz MXUKKRQEPCQAAT-CQSZACIVSA-N 1 1 365.405 2.227 20 5 FEBDMO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000286287505 551869880 /nfs/dbraw/zinc/86/98/80/551869880.db2.gz WTUNIERYVNWYSY-QGZVFWFLSA-N 1 1 359.382 2.342 20 5 FEBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286368621 551879601 /nfs/dbraw/zinc/87/96/01/551879601.db2.gz HVXULFUWUZUDJS-HNNXBMFYSA-N 1 1 363.414 2.342 20 5 FEBDMO CC(C)Oc1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000288012874 552074741 /nfs/dbraw/zinc/07/47/41/552074741.db2.gz CAQSPDWFGJTWQI-AWEZNQCLSA-N 1 1 361.402 2.138 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)[C@H](C)C1 ZINC000288599858 552182853 /nfs/dbraw/zinc/18/28/53/552182853.db2.gz WIRBJINOYJOSEA-CYBMUJFWSA-N 1 1 367.471 2.500 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)[C@H](C)C1 ZINC000288599858 552182855 /nfs/dbraw/zinc/18/28/55/552182855.db2.gz WIRBJINOYJOSEA-CYBMUJFWSA-N 1 1 367.471 2.500 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500143480 561566727 /nfs/dbraw/zinc/56/67/27/561566727.db2.gz YTCJUPKVMRIYJG-AWEZNQCLSA-N 1 1 361.320 2.313 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000500074928 561565472 /nfs/dbraw/zinc/56/54/72/561565472.db2.gz JMRZQPANWVVGNT-JTQLQIEISA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000500074928 561565473 /nfs/dbraw/zinc/56/54/73/561565473.db2.gz JMRZQPANWVVGNT-JTQLQIEISA-N 1 1 361.851 2.271 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289795329 552379959 /nfs/dbraw/zinc/37/99/59/552379959.db2.gz HYLOFWTXAGBJOK-HNNXBMFYSA-N 1 1 373.413 2.384 20 5 FEBDMO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCOc2ccccc21 ZINC000500556558 561576887 /nfs/dbraw/zinc/57/68/87/561576887.db2.gz GPIGFSKNDYASRQ-MRXNPFEDSA-N 1 1 359.357 2.464 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000290000216 552412140 /nfs/dbraw/zinc/41/21/40/552412140.db2.gz WPQHOHFDPFMLAQ-LLVKDONJSA-N 1 1 361.851 2.353 20 5 FEBDMO C[C@H](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000290731327 552527818 /nfs/dbraw/zinc/52/78/18/552527818.db2.gz GAXLBYOIXUEWNG-CYBMUJFWSA-N 1 1 357.414 2.411 20 5 FEBDMO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000290782211 552537174 /nfs/dbraw/zinc/53/71/74/552537174.db2.gz NEZGPYZWOVKOLI-CKEIUWERSA-N 1 1 362.430 2.160 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000290823818 552544313 /nfs/dbraw/zinc/54/43/13/552544313.db2.gz OYVOPIVAAWLSBN-WMLDXEAASA-N 1 1 374.441 2.038 20 5 FEBDMO C[N@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000501100200 561589959 /nfs/dbraw/zinc/58/99/59/561589959.db2.gz NSLVDZHOAZHQLJ-QGZVFWFLSA-N 1 1 350.419 2.080 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000291618459 552644229 /nfs/dbraw/zinc/64/42/29/552644229.db2.gz BZTDPIDAGSPSHN-HNNXBMFYSA-N 1 1 373.862 2.273 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000291999471 552683219 /nfs/dbraw/zinc/68/32/19/552683219.db2.gz LIILDPKOOCZFRA-CYBMUJFWSA-N 1 1 353.444 2.090 20 5 FEBDMO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000292154868 552698983 /nfs/dbraw/zinc/69/89/83/552698983.db2.gz KHZVXRDFLRAXHY-QAPCUYQASA-N 1 1 363.458 2.141 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292241963 552707969 /nfs/dbraw/zinc/70/79/69/552707969.db2.gz JNTBPCSMZGQZOI-QGZVFWFLSA-N 1 1 351.378 2.443 20 5 FEBDMO CCOC(=O)c1ccnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292370620 552720578 /nfs/dbraw/zinc/72/05/78/552720578.db2.gz RZGGACVTARYTNJ-CYBMUJFWSA-N 1 1 362.430 2.477 20 5 FEBDMO COc1ccc(NC(=O)CCN2CCC[N@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000292580476 552740128 /nfs/dbraw/zinc/74/01/28/552740128.db2.gz UHWVIAXRJDHLJT-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO O=C1NCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1Cc1ccccc1 ZINC000292855398 552765124 /nfs/dbraw/zinc/76/51/24/552765124.db2.gz CCBYJWMOEWNXBF-OALUTQOASA-N 1 1 369.421 2.061 20 5 FEBDMO O=C1NCCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1Cc1ccccc1 ZINC000292855398 552765125 /nfs/dbraw/zinc/76/51/25/552765125.db2.gz CCBYJWMOEWNXBF-OALUTQOASA-N 1 1 369.421 2.061 20 5 FEBDMO C[C@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000293179884 552796421 /nfs/dbraw/zinc/79/64/21/552796421.db2.gz YHGQIUHRXUPBFF-CQSZACIVSA-N 1 1 364.446 2.097 20 5 FEBDMO O=C1COc2ccc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2N1 ZINC000295338457 552990032 /nfs/dbraw/zinc/99/00/32/552990032.db2.gz MLGCGYVPFBKJTP-UHFFFAOYSA-N 1 1 368.393 2.248 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295633436 553036591 /nfs/dbraw/zinc/03/65/91/553036591.db2.gz BXJMEOJVUNWDED-AWEZNQCLSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000296964673 553235863 /nfs/dbraw/zinc/23/58/63/553235863.db2.gz OGGDLYRPVQABCN-LLVKDONJSA-N 1 1 350.375 2.368 20 5 FEBDMO Cc1c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000297156427 553257049 /nfs/dbraw/zinc/25/70/49/553257049.db2.gz VSBSTBMOXWDEHR-YHWZYXNKSA-N 1 1 362.386 2.475 20 5 FEBDMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000298126637 553387680 /nfs/dbraw/zinc/38/76/80/553387680.db2.gz NGLSFEIYGQIBHI-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000503452811 561641750 /nfs/dbraw/zinc/64/17/50/561641750.db2.gz IDUGWWWTAFKXAM-PBHICJAKSA-N 1 1 369.487 2.272 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000298981864 553498824 /nfs/dbraw/zinc/49/88/24/553498824.db2.gz HLXYHVPFYFBCHK-HUUCEWRRSA-N 1 1 355.398 2.137 20 5 FEBDMO CCCCC[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000299360814 553552883 /nfs/dbraw/zinc/55/28/83/553552883.db2.gz RIRMEXNXIWUHON-UHFFFAOYSA-N 1 1 353.419 2.417 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000299429466 553562134 /nfs/dbraw/zinc/56/21/34/553562134.db2.gz XMAUJTZKMGUATO-GOEBONIOSA-N 1 1 374.441 2.093 20 5 FEBDMO CC(C)c1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)cc1 ZINC000301086883 553620460 /nfs/dbraw/zinc/62/04/60/553620460.db2.gz KMCMAOFWEJLETO-UHFFFAOYSA-N 1 1 356.430 2.413 20 5 FEBDMO CC[N@H+]1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000301273458 553638158 /nfs/dbraw/zinc/63/81/58/553638158.db2.gz YEQSJQWMNNMTQR-UHFFFAOYSA-N 1 1 357.414 2.091 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523673 553658133 /nfs/dbraw/zinc/65/81/33/553658133.db2.gz GUFHHHZKJGIMTA-HIFRSBDPSA-N 1 1 371.441 2.336 20 5 FEBDMO CNC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301771340 553678070 /nfs/dbraw/zinc/67/80/70/553678070.db2.gz JGXCKDQVMWQLDN-GOEBONIOSA-N 1 1 358.442 2.408 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301836667 553683941 /nfs/dbraw/zinc/68/39/41/553683941.db2.gz XKIRCLYFXNYLAF-HNNXBMFYSA-N 1 1 352.822 2.167 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000313341784 553756905 /nfs/dbraw/zinc/75/69/05/553756905.db2.gz GCSYYLIISVVONW-QGZVFWFLSA-N 1 1 361.423 2.238 20 5 FEBDMO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H](O)C[N@H+](C)C1CC1 ZINC000314610125 553759727 /nfs/dbraw/zinc/75/97/27/553759727.db2.gz YVWQUSYHEDABLQ-GFCCVEGCSA-N 1 1 359.220 2.500 20 5 FEBDMO CC[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000507090872 561717094 /nfs/dbraw/zinc/71/70/94/561717094.db2.gz VXQIYDBJXXFZSY-OAHLLOKOSA-N 1 1 370.409 2.262 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485275 554127850 /nfs/dbraw/zinc/12/78/50/554127850.db2.gz ARYCKTHKMACXOH-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000330491588 554128261 /nfs/dbraw/zinc/12/82/61/554128261.db2.gz PIURGLHEQFNKJR-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000331073235 554209562 /nfs/dbraw/zinc/20/95/62/554209562.db2.gz UGTRLFWNCZUELF-GFCCVEGCSA-N 1 1 359.423 2.147 20 5 FEBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331332991 554247813 /nfs/dbraw/zinc/24/78/13/554247813.db2.gz VPALZEOZBXTVQE-SNVBAGLBSA-N 1 1 356.220 2.062 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331332991 554247816 /nfs/dbraw/zinc/24/78/16/554247816.db2.gz VPALZEOZBXTVQE-SNVBAGLBSA-N 1 1 356.220 2.062 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000331395467 554256824 /nfs/dbraw/zinc/25/68/24/554256824.db2.gz GBIHDERQYDKTJL-AWEZNQCLSA-N 1 1 364.427 2.261 20 5 FEBDMO Cc1csc([C@@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000331415961 554261156 /nfs/dbraw/zinc/26/11/56/554261156.db2.gz HIXGQJGZJVLWLF-KBPBESRZSA-N 1 1 351.432 2.144 20 5 FEBDMO Cc1csc([C@@H]2CCCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000331415961 554261159 /nfs/dbraw/zinc/26/11/59/554261159.db2.gz HIXGQJGZJVLWLF-KBPBESRZSA-N 1 1 351.432 2.144 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000332056203 554371397 /nfs/dbraw/zinc/37/13/97/554371397.db2.gz OSYDOFVUMZKWRX-KGLIPLIRSA-N 1 1 362.430 2.307 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000332476280 554453135 /nfs/dbraw/zinc/45/31/35/554453135.db2.gz WXNHJOALPBSKPA-UHFFFAOYSA-N 1 1 368.390 2.265 20 5 FEBDMO Cc1c(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000332587855 554477597 /nfs/dbraw/zinc/47/75/97/554477597.db2.gz CYBJDSGADKDPRM-UHFFFAOYSA-N 1 1 364.446 2.155 20 5 FEBDMO Cc1c(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000332587855 554477599 /nfs/dbraw/zinc/47/75/99/554477599.db2.gz CYBJDSGADKDPRM-UHFFFAOYSA-N 1 1 364.446 2.155 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000361016229 554900362 /nfs/dbraw/zinc/90/03/62/554900362.db2.gz AFYUJROKACDGMF-JYJNAYRXSA-N 1 1 359.426 2.306 20 5 FEBDMO Cc1cc(C2=CC[N@@H+]([C@@H](C)CN3CCOCC3)CC2)cc([N+](=O)[O-])c1N ZINC000362002942 554943051 /nfs/dbraw/zinc/94/30/51/554943051.db2.gz KGPMQJYIOYAZNU-HNNXBMFYSA-N 1 1 360.458 2.295 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787824 554988518 /nfs/dbraw/zinc/98/85/18/554988518.db2.gz LCBLCUDWFQLBKC-SJORKVTESA-N 1 1 374.441 2.132 20 5 FEBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000363348312 555082884 /nfs/dbraw/zinc/08/28/84/555082884.db2.gz FCEFONYSNUVQAO-MRXNPFEDSA-N 1 1 371.441 2.304 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)C1 ZINC000363405062 555097454 /nfs/dbraw/zinc/09/74/54/555097454.db2.gz CFDJAQYUFKPMGL-LJHODMEESA-N 1 1 372.469 2.194 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363509214 555123221 /nfs/dbraw/zinc/12/32/21/555123221.db2.gz WJSCXXUIWDRBEU-IAGOWNOFSA-N 1 1 355.398 2.234 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363509214 555123222 /nfs/dbraw/zinc/12/32/22/555123222.db2.gz WJSCXXUIWDRBEU-IAGOWNOFSA-N 1 1 355.398 2.234 20 5 FEBDMO CCOc1ccc(C(=O)N2CCC[N@@H+](CCCOC)CC2)cc1[N+](=O)[O-] ZINC000363635102 555151870 /nfs/dbraw/zinc/15/18/70/555151870.db2.gz RQRATQAWULTAIQ-UHFFFAOYSA-N 1 1 365.430 2.178 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000363641093 555152871 /nfs/dbraw/zinc/15/28/71/555152871.db2.gz JHVMTTFPPIRNFJ-CYBMUJFWSA-N 1 1 358.402 2.230 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000363671964 555160673 /nfs/dbraw/zinc/16/06/73/555160673.db2.gz ILFAXZYZJMEFLH-ZDUSSCGKSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000363671964 555160675 /nfs/dbraw/zinc/16/06/75/555160675.db2.gz ILFAXZYZJMEFLH-ZDUSSCGKSA-N 1 1 351.403 2.433 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000512135219 561893602 /nfs/dbraw/zinc/89/36/02/561893602.db2.gz GYJZREKOWVWQLR-CHWSQXEVSA-N 1 1 367.471 2.498 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000512135219 561893604 /nfs/dbraw/zinc/89/36/04/561893604.db2.gz GYJZREKOWVWQLR-CHWSQXEVSA-N 1 1 367.471 2.498 20 5 FEBDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364324428 555291731 /nfs/dbraw/zinc/29/17/31/555291731.db2.gz NFUXIFCRJNDKOP-AWEZNQCLSA-N 1 1 360.418 2.365 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556370 555337626 /nfs/dbraw/zinc/33/76/26/555337626.db2.gz JBMBAKZYUVJMFT-HYVNUMGLSA-N 1 1 361.442 2.143 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000365220033 555514404 /nfs/dbraw/zinc/51/44/04/555514404.db2.gz LGQPDVYHUIWHKL-HNNXBMFYSA-N 1 1 370.409 2.337 20 5 FEBDMO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273156 555529037 /nfs/dbraw/zinc/52/90/37/555529037.db2.gz ZEYPWGZNYBKGBZ-PBHICJAKSA-N 1 1 355.398 2.382 20 5 FEBDMO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273156 555529040 /nfs/dbraw/zinc/52/90/40/555529040.db2.gz ZEYPWGZNYBKGBZ-PBHICJAKSA-N 1 1 355.398 2.382 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000365652148 555632617 /nfs/dbraw/zinc/63/26/17/555632617.db2.gz YWNKDHBUKSAIGG-INIZCTEOSA-N 1 1 360.458 2.003 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CC[C@@H](Oc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365738283 555655584 /nfs/dbraw/zinc/65/55/84/555655584.db2.gz SFKKLLADTGCDIY-MSOLQXFVSA-N 1 1 368.393 2.248 20 5 FEBDMO O=C1[C@@H]([N@H+]2CC[C@@H](Oc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365738283 555655588 /nfs/dbraw/zinc/65/55/88/555655588.db2.gz SFKKLLADTGCDIY-MSOLQXFVSA-N 1 1 368.393 2.248 20 5 FEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)c1ccccn1 ZINC000365739110 555656034 /nfs/dbraw/zinc/65/60/34/555656034.db2.gz HHYLROSQFCJAQQ-HKUYNNGSSA-N 1 1 367.409 2.269 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(CCN3CCOCC3)CC2)cc1 ZINC000513820429 561951464 /nfs/dbraw/zinc/95/14/64/561951464.db2.gz PAXBOLTVLIFZFZ-UHFFFAOYSA-N 1 1 363.458 2.408 20 5 FEBDMO C[N@@H+](C[C@H]1CC12CCN(c1ccc3ncc([N+](=O)[O-])n3n1)CC2)C1CC1 ZINC000367296004 556010428 /nfs/dbraw/zinc/01/04/28/556010428.db2.gz NOOLHJDHGPQABR-CYBMUJFWSA-N 1 1 356.430 2.338 20 5 FEBDMO NC(=O)C1([NH+]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)CCCCC1 ZINC000367301028 556012289 /nfs/dbraw/zinc/01/22/89/556012289.db2.gz XHMHSDOCBFMOAP-UHFFFAOYSA-N 1 1 364.421 2.040 20 5 FEBDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367671094 556110249 /nfs/dbraw/zinc/11/02/49/556110249.db2.gz OCGIUGIXTUYXJS-LLVKDONJSA-N 1 1 361.851 2.353 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367671094 556110253 /nfs/dbraw/zinc/11/02/53/556110253.db2.gz OCGIUGIXTUYXJS-LLVKDONJSA-N 1 1 361.851 2.353 20 5 FEBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000514963403 561989049 /nfs/dbraw/zinc/98/90/49/561989049.db2.gz OLDHSSNAATXVAV-GOSISDBHSA-N 1 1 355.398 2.056 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)c1 ZINC000369019198 556478086 /nfs/dbraw/zinc/47/80/86/556478086.db2.gz WWDIHFKPNJTZMM-OAHLLOKOSA-N 1 1 353.386 2.209 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000369077023 556498838 /nfs/dbraw/zinc/49/88/38/556498838.db2.gz VMHROASIDBLJOH-PHIMTYICSA-N 1 1 359.835 2.072 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000516281813 562038604 /nfs/dbraw/zinc/03/86/04/562038604.db2.gz BESDQJXTZIZKSY-CYBMUJFWSA-N 1 1 355.460 2.167 20 5 FEBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cn1 ZINC000370008430 556756051 /nfs/dbraw/zinc/75/60/51/556756051.db2.gz LNDZPJGKGSLJDV-ZDUSSCGKSA-N 1 1 358.398 2.259 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000516895122 562063234 /nfs/dbraw/zinc/06/32/34/562063234.db2.gz INGIBAVQVCZMGH-UONOGXRCSA-N 1 1 365.430 2.415 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@@H](CO)C[NH+]2CCCCC2)c(Br)c1 ZINC000516892357 562063254 /nfs/dbraw/zinc/06/32/54/562063254.db2.gz HTCWGQAQDXTCCH-SNVBAGLBSA-N 1 1 359.224 2.011 20 5 FEBDMO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000371052993 557059893 /nfs/dbraw/zinc/05/98/93/557059893.db2.gz JUFBBVGYMNENFI-VBQJREDUSA-N 1 1 369.425 2.255 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000371052993 557059896 /nfs/dbraw/zinc/05/98/96/557059896.db2.gz JUFBBVGYMNENFI-VBQJREDUSA-N 1 1 369.425 2.255 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000371052993 557059899 /nfs/dbraw/zinc/05/98/99/557059899.db2.gz JUFBBVGYMNENFI-VBQJREDUSA-N 1 1 369.425 2.255 20 5 FEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000371127888 557082662 /nfs/dbraw/zinc/08/26/62/557082662.db2.gz JNRRIQNWWNHDCR-OAHLLOKOSA-N 1 1 374.445 2.248 20 5 FEBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336585 557152059 /nfs/dbraw/zinc/15/20/59/557152059.db2.gz RVHVUXYQHNIRAE-DOTOQJQBSA-N 1 1 360.414 2.295 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000372379106 557454804 /nfs/dbraw/zinc/45/48/04/557454804.db2.gz VWZTZOQONZVSDC-UHFFFAOYSA-N 1 1 353.444 2.111 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000372451921 557473961 /nfs/dbraw/zinc/47/39/61/557473961.db2.gz SDVWETNNFXGHCM-MRXNPFEDSA-N 1 1 350.806 2.161 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000372451921 557473964 /nfs/dbraw/zinc/47/39/64/557473964.db2.gz SDVWETNNFXGHCM-MRXNPFEDSA-N 1 1 350.806 2.161 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000373054516 557618022 /nfs/dbraw/zinc/61/80/22/557618022.db2.gz CEKKQYJQLBVDOE-SNVBAGLBSA-N 1 1 370.456 2.177 20 5 FEBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000520293046 562152649 /nfs/dbraw/zinc/15/26/49/562152649.db2.gz RQFXVOLDKQJBIU-CQSZACIVSA-N 1 1 362.430 2.470 20 5 FEBDMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000373668635 557734675 /nfs/dbraw/zinc/73/46/75/557734675.db2.gz VCIHBCYZLMKKKZ-CQSZACIVSA-N 1 1 357.414 2.399 20 5 FEBDMO C[NH+]1CCC2(CCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000374074495 557819251 /nfs/dbraw/zinc/81/92/51/557819251.db2.gz KZBBOQZBRZXKRC-UHFFFAOYSA-N 1 1 372.469 2.292 20 5 FEBDMO Cc1cc(C2=CC[N@@H+](CCN3CCOC[C@@H]3C)CC2)cc([N+](=O)[O-])c1N ZINC000374165620 557835290 /nfs/dbraw/zinc/83/52/90/557835290.db2.gz ZNCRXTHOXFAFNZ-HNNXBMFYSA-N 1 1 360.458 2.295 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000374307747 557862912 /nfs/dbraw/zinc/86/29/12/557862912.db2.gz IGUZFNXQUPLEMS-WBVHZDCISA-N 1 1 360.414 2.425 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000374390851 557877338 /nfs/dbraw/zinc/87/73/38/557877338.db2.gz WLKPDAIFNLXYAX-SFHVURJKSA-N 1 1 361.442 2.410 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C(=O)NCC1CCOCC1 ZINC000374390851 557877339 /nfs/dbraw/zinc/87/73/39/557877339.db2.gz WLKPDAIFNLXYAX-SFHVURJKSA-N 1 1 361.442 2.410 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550190 557898186 /nfs/dbraw/zinc/89/81/86/557898186.db2.gz HPRUKOJYYVAODU-STQMWFEESA-N 1 1 362.352 2.207 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550189 557898302 /nfs/dbraw/zinc/89/83/02/557898302.db2.gz HPRUKOJYYVAODU-QWHCGFSZSA-N 1 1 362.352 2.207 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccco1 ZINC000374566655 557900580 /nfs/dbraw/zinc/90/05/80/557900580.db2.gz RMPPBYKRUGKAKL-YOEHRIQHSA-N 1 1 373.409 2.363 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521174855 562170882 /nfs/dbraw/zinc/17/08/82/562170882.db2.gz PNQUHBGMFBPTEF-CQSZACIVSA-N 1 1 350.419 2.277 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000374856995 557941580 /nfs/dbraw/zinc/94/15/80/557941580.db2.gz RCESZYQWOTWNCP-AAEUAGOBSA-N 1 1 373.862 2.271 20 5 FEBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000374967340 557957458 /nfs/dbraw/zinc/95/74/58/557957458.db2.gz AXXRAPNIRRJKJQ-OWCLPIDISA-N 1 1 369.425 2.348 20 5 FEBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] ZINC000374967340 557957460 /nfs/dbraw/zinc/95/74/60/557957460.db2.gz AXXRAPNIRRJKJQ-OWCLPIDISA-N 1 1 369.425 2.348 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375035236 557967795 /nfs/dbraw/zinc/96/77/95/557967795.db2.gz BXPFKNRFCHMNCB-IAQYHMDHSA-N 1 1 373.862 2.271 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c1 ZINC000375292199 558005061 /nfs/dbraw/zinc/00/50/61/558005061.db2.gz LXYVJAZNIISFNI-UHFFFAOYSA-N 1 1 351.357 2.282 20 5 FEBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000375382707 558018384 /nfs/dbraw/zinc/01/83/84/558018384.db2.gz XGNRNKVRTKZNIU-UHFFFAOYSA-N 1 1 366.381 2.243 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000375737434 558074730 /nfs/dbraw/zinc/07/47/30/558074730.db2.gz CACSWJPGUDEHAA-IRXDYDNUSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000375737434 558074732 /nfs/dbraw/zinc/07/47/32/558074732.db2.gz CACSWJPGUDEHAA-IRXDYDNUSA-N 1 1 363.414 2.112 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000375926272 558100823 /nfs/dbraw/zinc/10/08/23/558100823.db2.gz FMZJBJXBULTAEJ-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000375926272 558100825 /nfs/dbraw/zinc/10/08/25/558100825.db2.gz FMZJBJXBULTAEJ-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@H+](C3CCOCC3)CC2)s1 ZINC000376176774 558136823 /nfs/dbraw/zinc/13/68/23/558136823.db2.gz YMYAMMACYMMWHL-UHFFFAOYSA-N 1 1 363.443 2.291 20 5 FEBDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000521835886 562184457 /nfs/dbraw/zinc/18/44/57/562184457.db2.gz YLVUWVLLBKDGRP-UHFFFAOYSA-N 1 1 373.384 2.496 20 5 FEBDMO CCN1C(=O)N=NC1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000377584518 558371437 /nfs/dbraw/zinc/37/14/37/558371437.db2.gz SGJDMJODPFTPQP-UHFFFAOYSA-N 1 1 361.402 2.300 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377763844 558415272 /nfs/dbraw/zinc/41/52/72/558415272.db2.gz QJCBRMGTTHHKLJ-STQMWFEESA-N 1 1 365.434 2.017 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377763844 558415273 /nfs/dbraw/zinc/41/52/73/558415273.db2.gz QJCBRMGTTHHKLJ-STQMWFEESA-N 1 1 365.434 2.017 20 5 FEBDMO COc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378304025 558524642 /nfs/dbraw/zinc/52/46/42/558524642.db2.gz FSLLKHOCRXAVSU-CVEARBPZSA-N 1 1 355.394 2.431 20 5 FEBDMO COCCC[N@H+]1CCCN(Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000378349499 558535352 /nfs/dbraw/zinc/53/53/52/558535352.db2.gz JRGUNSUOZKXJPI-UHFFFAOYSA-N 1 1 367.446 2.156 20 5 FEBDMO COc1ccc(NC(=O)CN2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000378435877 558556284 /nfs/dbraw/zinc/55/62/84/558556284.db2.gz YKPOJKVXYMKNCD-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000411258607 558862151 /nfs/dbraw/zinc/86/21/51/558862151.db2.gz OMRPYTONISVGGZ-RCCFBDPRSA-N 1 1 361.442 2.171 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000411637392 558933475 /nfs/dbraw/zinc/93/34/75/558933475.db2.gz CULUNNIANNYRLF-UONOGXRCSA-N 1 1 365.430 2.415 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000411887030 558983209 /nfs/dbraw/zinc/98/32/09/558983209.db2.gz YLRDWLBLRBZSOX-HIFRSBDPSA-N 1 1 363.414 2.289 20 5 FEBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411964372 558996173 /nfs/dbraw/zinc/99/61/73/558996173.db2.gz IODXVHYAASIOQO-IBGZPJMESA-N 1 1 355.394 2.103 20 5 FEBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000411975246 558998371 /nfs/dbraw/zinc/99/83/71/558998371.db2.gz ZZJUWYORIYTGPV-IBGZPJMESA-N 1 1 366.377 2.365 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1F ZINC000412028568 559004106 /nfs/dbraw/zinc/00/41/06/559004106.db2.gz AWKBQRDJYFIGOG-GFCCVEGCSA-N 1 1 365.405 2.418 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000412038955 559005468 /nfs/dbraw/zinc/00/54/68/559005468.db2.gz HPVYFEJTBGMEBY-FQUUOJAGSA-N 1 1 363.414 2.023 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412067653 559009186 /nfs/dbraw/zinc/00/91/86/559009186.db2.gz DWGYNTNCCLMNKV-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1F ZINC000412169207 559018077 /nfs/dbraw/zinc/01/80/77/559018077.db2.gz IATVDDRDXQVMBS-QWRGUYRKSA-N 1 1 351.378 2.026 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000412699874 559051372 /nfs/dbraw/zinc/05/13/72/559051372.db2.gz PUXDDZCNQJOOEY-ZDUSSCGKSA-N 1 1 356.382 2.042 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000412699874 559051373 /nfs/dbraw/zinc/05/13/73/559051373.db2.gz PUXDDZCNQJOOEY-ZDUSSCGKSA-N 1 1 356.382 2.042 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413157904 559083838 /nfs/dbraw/zinc/08/38/38/559083838.db2.gz RCBHAKRUDMASTR-UHFFFAOYSA-N 1 1 356.308 2.069 20 5 FEBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+](C)C1 ZINC000413497336 559112338 /nfs/dbraw/zinc/11/23/38/559112338.db2.gz LLDPSMKVBBHJDU-HNNXBMFYSA-N 1 1 370.409 2.198 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000413503553 559112424 /nfs/dbraw/zinc/11/24/24/559112424.db2.gz PDNIICPCZCVFHR-JSGCOSHPSA-N 1 1 367.421 2.474 20 5 FEBDMO C[C@H](C(=O)NC1CCN(c2[nH+]ccn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000527260902 562282901 /nfs/dbraw/zinc/28/29/01/562282901.db2.gz AHTMWGKJTLTIJA-ZDUSSCGKSA-N 1 1 357.414 2.217 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416497658 559317936 /nfs/dbraw/zinc/31/79/36/559317936.db2.gz UFFSXZQBKMAQNZ-CQSZACIVSA-N 1 1 355.460 2.315 20 5 FEBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000416731574 559330322 /nfs/dbraw/zinc/33/03/22/559330322.db2.gz JRNCBKHYTQAOIB-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000416731574 559330323 /nfs/dbraw/zinc/33/03/23/559330323.db2.gz JRNCBKHYTQAOIB-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000417796203 559376805 /nfs/dbraw/zinc/37/68/05/559376805.db2.gz RUQJSHPSCLRBOP-OAHLLOKOSA-N 1 1 369.425 2.378 20 5 FEBDMO Cc1c(CNC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000418084718 559389563 /nfs/dbraw/zinc/38/95/63/559389563.db2.gz VZCXWBPJMAPDOQ-QGZVFWFLSA-N 1 1 355.398 2.154 20 5 FEBDMO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000419010157 559425314 /nfs/dbraw/zinc/42/53/14/559425314.db2.gz XJMKQQGOLSNKRG-MNOVXSKESA-N 1 1 358.236 2.249 20 5 FEBDMO C[C@@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000420651344 559495446 /nfs/dbraw/zinc/49/54/46/559495446.db2.gz JVDSKCUNJFKJRU-CQSZACIVSA-N 1 1 354.410 2.404 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421010997 559519353 /nfs/dbraw/zinc/51/93/53/559519353.db2.gz GQKVZKPYMXVWEZ-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421010997 559519354 /nfs/dbraw/zinc/51/93/54/559519354.db2.gz GQKVZKPYMXVWEZ-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO CC(C)[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](O)CO ZINC000421411539 559541827 /nfs/dbraw/zinc/54/18/27/559541827.db2.gz QVSONBITGCRMFC-OAHLLOKOSA-N 1 1 351.428 2.282 20 5 FEBDMO CC(C)[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@@H](O)CO ZINC000421411539 559541828 /nfs/dbraw/zinc/54/18/28/559541828.db2.gz QVSONBITGCRMFC-OAHLLOKOSA-N 1 1 351.428 2.282 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000421703086 559549786 /nfs/dbraw/zinc/54/97/86/559549786.db2.gz LLRZXSXYIJQALW-MRXNPFEDSA-N 1 1 360.458 2.364 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000421858149 559554861 /nfs/dbraw/zinc/55/48/61/559554861.db2.gz CSOHIUYDSKCDSG-UHFFFAOYSA-N 1 1 362.474 2.358 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292211 559660792 /nfs/dbraw/zinc/66/07/92/559660792.db2.gz OKTFDTOMYDLKEX-CYBMUJFWSA-N 1 1 362.430 2.006 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](Cc4cccc(O)c4)CC3)nc2c1 ZINC000427992734 559767059 /nfs/dbraw/zinc/76/70/59/559767059.db2.gz NKPWOPFTDDKLMQ-UHFFFAOYSA-N 1 1 353.382 2.499 20 5 FEBDMO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(N)=O ZINC000428838897 559784519 /nfs/dbraw/zinc/78/45/19/559784519.db2.gz IHLKMSALIMXCOD-APPDUMDISA-N 1 1 353.382 2.218 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429541401 559800694 /nfs/dbraw/zinc/80/06/94/559800694.db2.gz OXLOKXYZRAWMIB-ZDUSSCGKSA-N 1 1 362.430 2.160 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429541401 559800695 /nfs/dbraw/zinc/80/06/95/559800695.db2.gz OXLOKXYZRAWMIB-ZDUSSCGKSA-N 1 1 362.430 2.160 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000432459396 559859283 /nfs/dbraw/zinc/85/92/83/559859283.db2.gz JOHFIJLCQZKUSC-ZDUSSCGKSA-N 1 1 370.409 2.122 20 5 FEBDMO Cc1ccc(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cc1[N+](=O)[O-] ZINC000433210449 559873824 /nfs/dbraw/zinc/87/38/24/559873824.db2.gz UXDREUYAMVGREV-UHFFFAOYSA-N 1 1 354.410 2.359 20 5 FEBDMO Cc1ccc(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cc1[N+](=O)[O-] ZINC000433210449 559873825 /nfs/dbraw/zinc/87/38/25/559873825.db2.gz UXDREUYAMVGREV-UHFFFAOYSA-N 1 1 354.410 2.359 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000433315178 559876629 /nfs/dbraw/zinc/87/66/29/559876629.db2.gz AUKADVKRFSWTIR-MRXNPFEDSA-N 1 1 361.398 2.272 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434779909 559909202 /nfs/dbraw/zinc/90/92/02/559909202.db2.gz XYZGBWPRUDETFK-INIZCTEOSA-N 1 1 367.471 2.074 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000435431672 559922785 /nfs/dbraw/zinc/92/27/85/559922785.db2.gz JWIROADIWCRIQX-CQSZACIVSA-N 1 1 355.460 2.363 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)[C@@H]3CCCSC3)n2)cc1 ZINC000438990955 559986731 /nfs/dbraw/zinc/98/67/31/559986731.db2.gz ALXHXCDEQSHXJW-CQSZACIVSA-N 1 1 364.427 2.335 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCO)[C@@H]3CCCSC3)n2)cc1 ZINC000438990955 559986732 /nfs/dbraw/zinc/98/67/32/559986732.db2.gz ALXHXCDEQSHXJW-CQSZACIVSA-N 1 1 364.427 2.335 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000440076841 560004343 /nfs/dbraw/zinc/00/43/43/560004343.db2.gz JEWPKWUPDOUEJZ-TZMCWYRMSA-N 1 1 355.460 2.302 20 5 FEBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000440508887 560012866 /nfs/dbraw/zinc/01/28/66/560012866.db2.gz UQZBGNCRRFLYFG-QGZVFWFLSA-N 1 1 361.423 2.023 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440522396 560013615 /nfs/dbraw/zinc/01/36/15/560013615.db2.gz ZFGRYBUDZVNPPI-HXUWFJFHSA-N 1 1 369.421 2.270 20 5 FEBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440593248 560014694 /nfs/dbraw/zinc/01/46/94/560014694.db2.gz DTDUJQUSNUJYGE-AWEZNQCLSA-N 1 1 356.373 2.228 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000441084620 560023175 /nfs/dbraw/zinc/02/31/75/560023175.db2.gz BSRUCXQOVZERTP-QWHCGFSZSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000441084620 560023176 /nfs/dbraw/zinc/02/31/76/560023176.db2.gz BSRUCXQOVZERTP-QWHCGFSZSA-N 1 1 362.430 2.091 20 5 FEBDMO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000443626414 560088810 /nfs/dbraw/zinc/08/88/10/560088810.db2.gz PZIZAUGKKPMHPP-OCCSQVGLSA-N 1 1 350.419 2.085 20 5 FEBDMO COc1ccc(C2([NH2+]Cc3c([N+](=O)[O-])ncn3C)CCOCC2)cc1F ZINC000444796842 560121168 /nfs/dbraw/zinc/12/11/68/560121168.db2.gz BZBOCZJFDTUNED-UHFFFAOYSA-N 1 1 364.377 2.272 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000446904661 560153383 /nfs/dbraw/zinc/15/33/83/560153383.db2.gz BSOHQTADJHTNRT-CHWSQXEVSA-N 1 1 374.445 2.485 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447812089 560169761 /nfs/dbraw/zinc/16/97/61/560169761.db2.gz JPBWYQANMXKHRP-INIZCTEOSA-N 1 1 371.441 2.154 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447926201 560173190 /nfs/dbraw/zinc/17/31/90/560173190.db2.gz ACZQERGXFLVUKH-HNNXBMFYSA-N 1 1 371.459 2.002 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000448354520 560185259 /nfs/dbraw/zinc/18/52/59/560185259.db2.gz KMNHQJUERAZQMU-DZGCQCFKSA-N 1 1 366.414 2.272 20 5 FEBDMO CCOC(=O)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)[nH]c1C ZINC000449285711 560223768 /nfs/dbraw/zinc/22/37/68/560223768.db2.gz FSBTVHQXEDMFPR-UHFFFAOYSA-N 1 1 361.402 2.442 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@H+]2CCO)c(Br)c1 ZINC000450619228 560268194 /nfs/dbraw/zinc/26/81/94/560268194.db2.gz UQVWYTJWSCKVJZ-JTQLQIEISA-N 1 1 359.224 2.011 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000450619228 560268195 /nfs/dbraw/zinc/26/81/95/560268195.db2.gz UQVWYTJWSCKVJZ-JTQLQIEISA-N 1 1 359.224 2.011 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000451033422 560283790 /nfs/dbraw/zinc/28/37/90/560283790.db2.gz TYZMCJZIPHUSDH-GOSISDBHSA-N 1 1 359.382 2.045 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)n2)c1 ZINC000451305782 560299170 /nfs/dbraw/zinc/29/91/70/560299170.db2.gz WPKGEFUHCVOIJP-NUEKZKHPSA-N 1 1 374.397 2.007 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414358 560305456 /nfs/dbraw/zinc/30/54/56/560305456.db2.gz IFHCCORKGVCBRO-CGTJXYLNSA-N 1 1 359.426 2.109 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451691014 560322252 /nfs/dbraw/zinc/32/22/52/560322252.db2.gz BCXXHBPCWHAJGF-LTCOOKNTSA-N 1 1 359.426 2.183 20 5 FEBDMO CO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451862952 560333160 /nfs/dbraw/zinc/33/31/60/560333160.db2.gz YKYVMRHFJMQBCB-IRXDYDNUSA-N 1 1 359.426 2.373 20 5 FEBDMO CO[C@H]1C[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451862952 560333161 /nfs/dbraw/zinc/33/31/61/560333161.db2.gz YKYVMRHFJMQBCB-IRXDYDNUSA-N 1 1 359.426 2.373 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451907973 560336395 /nfs/dbraw/zinc/33/63/95/560336395.db2.gz VSDXLIYHDAIGJG-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000452109288 560351638 /nfs/dbraw/zinc/35/16/38/560351638.db2.gz XMXCSILCDSHAEM-AWEZNQCLSA-N 1 1 355.460 2.315 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452358051 560360093 /nfs/dbraw/zinc/36/00/93/560360093.db2.gz FSVCDOYLNSZMRH-AEFFLSMTSA-N 1 1 363.458 2.127 20 5 FEBDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452849541 560376148 /nfs/dbraw/zinc/37/61/48/560376148.db2.gz LPBWDVOAMPTBLT-AEFFLSMTSA-N 1 1 361.442 2.410 20 5 FEBDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452849541 560376149 /nfs/dbraw/zinc/37/61/49/560376149.db2.gz LPBWDVOAMPTBLT-AEFFLSMTSA-N 1 1 361.442 2.410 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000454010267 560421758 /nfs/dbraw/zinc/42/17/58/560421758.db2.gz XGZQQUGQSBXLIV-ZDUSSCGKSA-N 1 1 362.430 2.038 20 5 FEBDMO CNc1nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000454418381 560443805 /nfs/dbraw/zinc/44/38/05/560443805.db2.gz HFEKPGKASMISPJ-UHFFFAOYSA-N 1 1 369.425 2.380 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000455249542 560475574 /nfs/dbraw/zinc/47/55/74/560475574.db2.gz QSONHLJAOUDIKK-OKILXGFUSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000455249542 560475575 /nfs/dbraw/zinc/47/55/75/560475575.db2.gz QSONHLJAOUDIKK-OKILXGFUSA-N 1 1 350.419 2.130 20 5 FEBDMO C[C@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455420007 560481556 /nfs/dbraw/zinc/48/15/56/560481556.db2.gz SPWMRHPFPPMPEC-ZDUSSCGKSA-N 1 1 364.446 2.423 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455420007 560481557 /nfs/dbraw/zinc/48/15/57/560481557.db2.gz SPWMRHPFPPMPEC-ZDUSSCGKSA-N 1 1 364.446 2.423 20 5 FEBDMO CNc1nc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000456013779 560504455 /nfs/dbraw/zinc/50/44/55/560504455.db2.gz VWIWIXVGDKODJK-CHWSQXEVSA-N 1 1 361.446 2.414 20 5 FEBDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457130853 560551703 /nfs/dbraw/zinc/55/17/03/560551703.db2.gz XXZUDPKSCSXYPO-UHFFFAOYSA-N 1 1 372.429 2.049 20 5 FEBDMO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457953664 560596193 /nfs/dbraw/zinc/59/61/93/560596193.db2.gz ZIZRFHPXKQVQBV-AWEZNQCLSA-N 1 1 350.419 2.228 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)[C@@H](CO)C3)o2)c(Cl)c1 ZINC000459674106 560701342 /nfs/dbraw/zinc/70/13/42/560701342.db2.gz BOXMPZRRRKJDKK-BMIGLBTASA-N 1 1 352.774 2.293 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000459707804 560703336 /nfs/dbraw/zinc/70/33/36/560703336.db2.gz OGDJZXDTQOWKHF-DYVFJYSZSA-N 1 1 362.357 2.311 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000459707804 560703337 /nfs/dbraw/zinc/70/33/37/560703337.db2.gz OGDJZXDTQOWKHF-DYVFJYSZSA-N 1 1 362.357 2.311 20 5 FEBDMO C[N@H+](CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000461411874 560770470 /nfs/dbraw/zinc/77/04/70/560770470.db2.gz USSVSHSFSKDVGG-UHFFFAOYSA-N 1 1 355.394 2.448 20 5 FEBDMO C[N@@H+](CC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)Cc1ccccc1 ZINC000461411874 560770472 /nfs/dbraw/zinc/77/04/72/560770472.db2.gz USSVSHSFSKDVGG-UHFFFAOYSA-N 1 1 355.394 2.448 20 5 FEBDMO Cc1cc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461944097 560789144 /nfs/dbraw/zinc/78/91/44/560789144.db2.gz ACRDDCUTDNWLPI-UHFFFAOYSA-N 1 1 360.393 2.225 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000467050085 560902287 /nfs/dbraw/zinc/90/22/87/560902287.db2.gz WQASMQDKQMHCKO-NWDGAFQWSA-N 1 1 359.473 2.070 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000467078250 560903093 /nfs/dbraw/zinc/90/30/93/560903093.db2.gz GKGISEVWGKELLL-CYBMUJFWSA-N 1 1 373.500 2.317 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469057850 560946101 /nfs/dbraw/zinc/94/61/01/560946101.db2.gz UHKUIRSBWROVNH-STQMWFEESA-N 1 1 371.459 2.145 20 5 FEBDMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000469841220 560966278 /nfs/dbraw/zinc/96/62/78/560966278.db2.gz JHEQFKJPCCZMKK-OAHLLOKOSA-N 1 1 360.439 2.270 20 5 FEBDMO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000469841220 560966279 /nfs/dbraw/zinc/96/62/79/560966279.db2.gz JHEQFKJPCCZMKK-OAHLLOKOSA-N 1 1 360.439 2.270 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000472770259 561035029 /nfs/dbraw/zinc/03/50/29/561035029.db2.gz ZMISRRSKMOWRIT-AWEZNQCLSA-N 1 1 366.487 2.289 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000474572055 561077155 /nfs/dbraw/zinc/07/71/55/561077155.db2.gz DZDRGXQJNVJYQX-CQSZACIVSA-N 1 1 355.460 2.363 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000475115073 561090954 /nfs/dbraw/zinc/09/09/54/561090954.db2.gz BBPVZOUKFAZIGP-KCQAQPDRSA-N 1 1 366.414 2.128 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])nn3C)cc2)C1 ZINC000476071172 561110795 /nfs/dbraw/zinc/11/07/95/561110795.db2.gz HYQYUSCBEZTBSX-AWEZNQCLSA-N 1 1 371.441 2.490 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000477025049 561134615 /nfs/dbraw/zinc/13/46/15/561134615.db2.gz LRDNDSCWVCDYIJ-CQSZACIVSA-N 1 1 357.414 2.065 20 5 FEBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2)C1 ZINC000477032739 561134658 /nfs/dbraw/zinc/13/46/58/561134658.db2.gz RZCHRRIIPCLSAL-ZDUSSCGKSA-N 1 1 373.413 2.301 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])cn3)c2)CCO1 ZINC000532144625 562468625 /nfs/dbraw/zinc/46/86/25/562468625.db2.gz DQDZHOVFZFODGM-CQSZACIVSA-N 1 1 370.409 2.141 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])cn3)c2)CCO1 ZINC000532144625 562468626 /nfs/dbraw/zinc/46/86/26/562468626.db2.gz DQDZHOVFZFODGM-CQSZACIVSA-N 1 1 370.409 2.141 20 5 FEBDMO CNc1ccc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000532232567 562471179 /nfs/dbraw/zinc/47/11/79/562471179.db2.gz BYVLLMWLVVPLKJ-UHFFFAOYSA-N 1 1 355.398 2.302 20 5 FEBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000532392672 562476223 /nfs/dbraw/zinc/47/62/23/562476223.db2.gz WUBFTBAMYYSSON-KSSFIOAISA-N 1 1 370.409 2.009 20 5 FEBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000532392672 562476224 /nfs/dbraw/zinc/47/62/24/562476224.db2.gz WUBFTBAMYYSSON-KSSFIOAISA-N 1 1 370.409 2.009 20 5 FEBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000532392669 562476289 /nfs/dbraw/zinc/47/62/89/562476289.db2.gz WUBFTBAMYYSSON-KBXCAEBGSA-N 1 1 370.409 2.009 20 5 FEBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000532392669 562476290 /nfs/dbraw/zinc/47/62/90/562476290.db2.gz WUBFTBAMYYSSON-KBXCAEBGSA-N 1 1 370.409 2.009 20 5 FEBDMO CO[C@H](C)C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000532971686 562494242 /nfs/dbraw/zinc/49/42/42/562494242.db2.gz OABLNQRJRMANBL-LLVKDONJSA-N 1 1 353.375 2.007 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000541282486 562607855 /nfs/dbraw/zinc/60/78/55/562607855.db2.gz QODJWMUUZOVWOY-ARFHVFGLSA-N 1 1 350.415 2.083 20 5 FEBDMO CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546206968 562635033 /nfs/dbraw/zinc/63/50/33/562635033.db2.gz OHEJHOGMSITDMI-HNNXBMFYSA-N 1 1 357.414 2.363 20 5 FEBDMO CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546206968 562635034 /nfs/dbraw/zinc/63/50/34/562635034.db2.gz OHEJHOGMSITDMI-HNNXBMFYSA-N 1 1 357.414 2.363 20 5 FEBDMO CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546206968 562635035 /nfs/dbraw/zinc/63/50/35/562635035.db2.gz OHEJHOGMSITDMI-HNNXBMFYSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000602785890 568040075 /nfs/dbraw/zinc/04/00/75/568040075.db2.gz WRNZSQFPEZSZLX-KRWDZBQOSA-N 1 1 371.441 2.384 20 5 FEBDMO Cc1cc(OCC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395285 568400507 /nfs/dbraw/zinc/40/05/07/568400507.db2.gz OKMDDMRGNYRCCM-QIIPPGSGSA-N 1 1 361.442 2.471 20 5 FEBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1(CO)CC1 ZINC000569745846 568414548 /nfs/dbraw/zinc/41/45/48/568414548.db2.gz VKQRYCVNANDBNO-UHFFFAOYSA-N 1 1 362.167 2.156 20 5 FEBDMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570137188 568454257 /nfs/dbraw/zinc/45/42/57/568454257.db2.gz DWHBUVWVKPKYRW-UHFFFAOYSA-N 1 1 356.382 2.377 20 5 FEBDMO Cc1[nH+]ccn1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737498954 598339931 /nfs/dbraw/zinc/33/99/31/598339931.db2.gz HXAQRLAILKZJIV-ZDUSSCGKSA-N 1 1 354.374 2.121 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736239772 598498668 /nfs/dbraw/zinc/49/86/68/598498668.db2.gz XVJWBBUVLKPPFK-FRRDWIJNSA-N 1 1 372.433 2.012 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000557152105 674440109 /nfs/dbraw/zinc/44/01/09/674440109.db2.gz QMYBHKTXFRKVLR-QWHCGFSZSA-N 1 1 367.471 2.388 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000557152105 674440112 /nfs/dbraw/zinc/44/01/12/674440112.db2.gz QMYBHKTXFRKVLR-QWHCGFSZSA-N 1 1 367.471 2.388 20 5 FEBDMO C[N@@H+](CCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)Cc1ccccc1 ZINC000821600382 599431490 /nfs/dbraw/zinc/43/14/90/599431490.db2.gz KBPMKRHMZWLJFL-UHFFFAOYSA-N 1 1 368.401 2.104 20 5 FEBDMO CNC(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000558942933 674520794 /nfs/dbraw/zinc/52/07/94/674520794.db2.gz QYLYTVCBTRMTMC-UHFFFAOYSA-N 1 1 368.187 2.453 20 5 FEBDMO CC(C)[N@@H+](C)CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820111671 606123938 /nfs/dbraw/zinc/12/39/38/606123938.db2.gz GKBNDXDREGCLIJ-UHFFFAOYSA-N 1 1 356.390 2.075 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000559467621 674544437 /nfs/dbraw/zinc/54/44/37/674544437.db2.gz RQRHCYYMLXDRAJ-HZPDHXFCSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000559467621 674544440 /nfs/dbraw/zinc/54/44/40/674544440.db2.gz RQRHCYYMLXDRAJ-HZPDHXFCSA-N 1 1 350.415 2.226 20 5 FEBDMO CC[N@@H+](C)Cc1cccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])c1 ZINC000821165783 606701298 /nfs/dbraw/zinc/70/12/98/606701298.db2.gz VUPUHVDNUSPWLG-UHFFFAOYSA-N 1 1 368.401 2.234 20 5 FEBDMO COc1ccc(C[N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)cc1[N+](=O)[O-] ZINC000826193290 608675250 /nfs/dbraw/zinc/67/52/50/608675250.db2.gz YZOJDRALPYYDCH-UHFFFAOYSA-N 1 1 360.399 2.477 20 5 FEBDMO COc1ccc(C[N@@H+](C)Cc2cc(-c3nn[nH]n3)cs2)cc1[N+](=O)[O-] ZINC000826193290 608675251 /nfs/dbraw/zinc/67/52/51/608675251.db2.gz YZOJDRALPYYDCH-UHFFFAOYSA-N 1 1 360.399 2.477 20 5 FEBDMO CC(C)OCCC[N@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000562114434 674722779 /nfs/dbraw/zinc/72/27/79/674722779.db2.gz BROAQGVETZMHCI-UHFFFAOYSA-N 1 1 353.375 2.009 20 5 FEBDMO CC(C)OCCC[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000562114434 674722780 /nfs/dbraw/zinc/72/27/80/674722780.db2.gz BROAQGVETZMHCI-UHFFFAOYSA-N 1 1 353.375 2.009 20 5 FEBDMO O=C(NC[C@H]1CC[C@H](C[NH2+]CC2CC(F)(F)C2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001048607487 675011626 /nfs/dbraw/zinc/01/16/26/675011626.db2.gz DSJIPKVKBGMQOV-QHSBEEBCSA-N 1 1 359.417 2.209 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000817151668 675106237 /nfs/dbraw/zinc/10/62/37/675106237.db2.gz XHEOLFWEXHQYKV-SECBINFHSA-N 1 1 365.814 2.102 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000072706078 670497467 /nfs/dbraw/zinc/49/74/67/670497467.db2.gz PFALHSVSIUEMRD-GFCCVEGCSA-N 1 1 350.375 2.497 20 5 FEBDMO CC(C)(C)c1nnc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000565770114 675149836 /nfs/dbraw/zinc/14/98/36/675149836.db2.gz FVDDDBJKMNKQEM-GFCCVEGCSA-N 1 1 366.443 2.273 20 5 FEBDMO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271636 671356711 /nfs/dbraw/zinc/35/67/11/671356711.db2.gz FYMOCWPLPXBXLZ-HZPDHXFCSA-N 1 1 351.447 2.045 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271636 671356716 /nfs/dbraw/zinc/35/67/16/671356716.db2.gz FYMOCWPLPXBXLZ-HZPDHXFCSA-N 1 1 351.447 2.045 20 5 FEBDMO CC[N@@H+](CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC000576995659 671409847 /nfs/dbraw/zinc/40/98/47/671409847.db2.gz CKORUMOUVJAJDF-UHFFFAOYSA-N 1 1 350.419 2.229 20 5 FEBDMO COc1ccc(C[N@@H+](CCNC(C)=O)C2CCSCC2)cc1[N+](=O)[O-] ZINC000577511519 671601381 /nfs/dbraw/zinc/60/13/81/671601381.db2.gz NWACDWGXNGGITG-UHFFFAOYSA-N 1 1 367.471 2.437 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2CC)cc1OC ZINC000577706101 671614858 /nfs/dbraw/zinc/61/48/58/671614858.db2.gz MQEMRFDRQTZQNY-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)cc1OC ZINC000577706101 671614861 /nfs/dbraw/zinc/61/48/61/671614861.db2.gz MQEMRFDRQTZQNY-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+](CCO)C2CC2)c1 ZINC000579650251 671750466 /nfs/dbraw/zinc/75/04/66/671750466.db2.gz XSIWBYHGUZFGBN-UHFFFAOYSA-N 1 1 362.167 2.156 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000134653391 672125206 /nfs/dbraw/zinc/12/52/06/672125206.db2.gz LIXZVSXMCVDYTL-CHWSQXEVSA-N 1 1 353.423 2.169 20 5 FEBDMO CN1CCC[N@@H+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000587607348 672442201 /nfs/dbraw/zinc/44/22/01/672442201.db2.gz ARQHIVWRIQYXCX-UHFFFAOYSA-N 1 1 350.448 2.039 20 5 FEBDMO C[N@@H+]1CCCN(CCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000587607348 672442204 /nfs/dbraw/zinc/44/22/04/672442204.db2.gz ARQHIVWRIQYXCX-UHFFFAOYSA-N 1 1 350.448 2.039 20 5 FEBDMO C[N@H+]1CCCN(CCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000587607348 672442208 /nfs/dbraw/zinc/44/22/08/672442208.db2.gz ARQHIVWRIQYXCX-UHFFFAOYSA-N 1 1 350.448 2.039 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)c1 ZINC000611575895 676045104 /nfs/dbraw/zinc/04/51/04/676045104.db2.gz LHNBUDIIBQSOFO-AWEZNQCLSA-N 1 1 358.320 2.217 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)c1 ZINC000611575895 676045105 /nfs/dbraw/zinc/04/51/05/676045105.db2.gz LHNBUDIIBQSOFO-AWEZNQCLSA-N 1 1 358.320 2.217 20 5 FEBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107218 673031755 /nfs/dbraw/zinc/03/17/55/673031755.db2.gz JXEYQAWQFYDOII-RWMBFGLXSA-N 1 1 369.849 2.405 20 5 FEBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107218 673031759 /nfs/dbraw/zinc/03/17/59/673031759.db2.gz JXEYQAWQFYDOII-RWMBFGLXSA-N 1 1 369.849 2.405 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594483531 673086991 /nfs/dbraw/zinc/08/69/91/673086991.db2.gz NCOHXUAZQXWTLM-HOCLYGCPSA-N 1 1 353.444 2.031 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594485003 673088829 /nfs/dbraw/zinc/08/88/29/673088829.db2.gz ZSVYZUUKXIISDF-GJZGRUSLSA-N 1 1 353.444 2.198 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000726603664 673131461 /nfs/dbraw/zinc/13/14/61/673131461.db2.gz YQYDHUHDBDPDHL-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595092285 673192398 /nfs/dbraw/zinc/19/23/98/673192398.db2.gz XBPWGQFUFMOEQS-SNVBAGLBSA-N 1 1 368.821 2.176 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000595411734 673246026 /nfs/dbraw/zinc/24/60/26/673246026.db2.gz SKZPQIAMRBXMLU-OAHLLOKOSA-N 1 1 367.471 2.304 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462569733 673263691 /nfs/dbraw/zinc/26/36/91/673263691.db2.gz HRTHWHXALXDBEK-CYBMUJFWSA-N 1 1 371.434 2.277 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462569733 673263692 /nfs/dbraw/zinc/26/36/92/673263692.db2.gz HRTHWHXALXDBEK-CYBMUJFWSA-N 1 1 371.434 2.277 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000462576547 673264800 /nfs/dbraw/zinc/26/48/00/673264800.db2.gz UNJIADJTUQIKKR-OAHLLOKOSA-N 1 1 367.471 2.446 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000595701102 673284163 /nfs/dbraw/zinc/28/41/63/673284163.db2.gz PSHRJXNSUCCBBT-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000595701102 673284165 /nfs/dbraw/zinc/28/41/65/673284165.db2.gz PSHRJXNSUCCBBT-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595780736 673324537 /nfs/dbraw/zinc/32/45/37/673324537.db2.gz MBDLCYKLPOHYLR-OLZOCXBDSA-N 1 1 351.403 2.431 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597575121 673489009 /nfs/dbraw/zinc/48/90/09/673489009.db2.gz LICJWNPJLOAKKX-LSDHHAIUSA-N 1 1 353.419 2.332 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597575119 673489058 /nfs/dbraw/zinc/48/90/58/673489058.db2.gz LICJWNPJLOAKKX-GJZGRUSLSA-N 1 1 353.419 2.332 20 5 FEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000597611946 673492991 /nfs/dbraw/zinc/49/29/91/673492991.db2.gz VHDUSBKFVZBIQZ-UHFFFAOYSA-N 1 1 366.805 2.263 20 5 FEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000597611946 673492993 /nfs/dbraw/zinc/49/29/93/673492993.db2.gz VHDUSBKFVZBIQZ-UHFFFAOYSA-N 1 1 366.805 2.263 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000598451913 673571640 /nfs/dbraw/zinc/57/16/40/673571640.db2.gz FQBYZLCXTMCVKH-CQSZACIVSA-N 1 1 367.833 2.228 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599157072 673637258 /nfs/dbraw/zinc/63/72/58/673637258.db2.gz MQPRAPHDMDJIEA-SECBINFHSA-N 1 1 354.204 2.324 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000740840722 673656784 /nfs/dbraw/zinc/65/67/84/673656784.db2.gz CTLYEWVKKAJVNG-OLZOCXBDSA-N 1 1 353.394 2.444 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000543674787 673660535 /nfs/dbraw/zinc/66/05/35/673660535.db2.gz NUHPOHDSHQBHKR-WCQYABFASA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000543674787 673660538 /nfs/dbraw/zinc/66/05/38/673660538.db2.gz NUHPOHDSHQBHKR-WCQYABFASA-N 1 1 353.444 2.115 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC000599390524 673668329 /nfs/dbraw/zinc/66/83/29/673668329.db2.gz JHXFUEPOZSRLNV-CQSZACIVSA-N 1 1 371.434 2.419 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599464631 673678526 /nfs/dbraw/zinc/67/85/26/673678526.db2.gz OUJLJAIQHUPEKM-OAHLLOKOSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000599464574 673678610 /nfs/dbraw/zinc/67/86/10/673678610.db2.gz OEUQIQZUGYVWOF-MRXNPFEDSA-N 1 1 353.444 2.031 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599622583 673698421 /nfs/dbraw/zinc/69/84/21/673698421.db2.gz LQFWZXBYTLXEMJ-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO Cc1c(NC(=O)CC[NH+]2CCN(CCCF)CC2)cccc1[N+](=O)[O-] ZINC000599667703 673704153 /nfs/dbraw/zinc/70/41/53/673704153.db2.gz IPJNWSOZMRCUCI-UHFFFAOYSA-N 1 1 352.410 2.209 20 5 FEBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH+](CCCF)CC1 ZINC000600072480 673738537 /nfs/dbraw/zinc/73/85/37/673738537.db2.gz VHFKPVGELPZYFL-UHFFFAOYSA-N 1 1 350.394 2.287 20 5 FEBDMO CC(C)(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)S(C)(=O)=O ZINC000602563629 673907992 /nfs/dbraw/zinc/90/79/92/673907992.db2.gz NINMCANSLBYYBQ-UHFFFAOYSA-N 1 1 371.278 2.332 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602853440 673912195 /nfs/dbraw/zinc/91/21/95/673912195.db2.gz YKXJRZDHJCFVEM-OCCSQVGLSA-N 1 1 352.435 2.399 20 5 FEBDMO CC(C)OCC[NH+]1CCC(NC[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819128717 675263147 /nfs/dbraw/zinc/26/31/47/675263147.db2.gz QXUXURLULFNZQH-GOSISDBHSA-N 1 1 351.447 2.107 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000567763902 675319864 /nfs/dbraw/zinc/31/98/64/675319864.db2.gz UAXFYARMXLZUFN-LLVKDONJSA-N 1 1 352.416 2.023 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782960 675322111 /nfs/dbraw/zinc/32/21/11/675322111.db2.gz HQUYMEPXTAGXOE-AAEUAGOBSA-N 1 1 353.444 2.061 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782960 675322115 /nfs/dbraw/zinc/32/21/15/675322115.db2.gz HQUYMEPXTAGXOE-AAEUAGOBSA-N 1 1 353.444 2.061 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782962 675322251 /nfs/dbraw/zinc/32/22/51/675322251.db2.gz HQUYMEPXTAGXOE-WCQYABFASA-N 1 1 353.444 2.061 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782962 675322253 /nfs/dbraw/zinc/32/22/53/675322253.db2.gz HQUYMEPXTAGXOE-WCQYABFASA-N 1 1 353.444 2.061 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCCn1cc[nH+]c1C ZINC000822896449 675514717 /nfs/dbraw/zinc/51/47/17/675514717.db2.gz NMPPKGUSXAACIP-UHFFFAOYSA-N 1 1 365.777 2.142 20 5 FEBDMO CC(C)[C@H]1CN(C)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000823179905 675534610 /nfs/dbraw/zinc/53/46/10/675534610.db2.gz ZYSGCDHJVDZJFC-MRXNPFEDSA-N 1 1 352.410 2.335 20 5 FEBDMO CC(C)[C@H]1C[N@H+](C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000823179905 675534612 /nfs/dbraw/zinc/53/46/12/675534612.db2.gz ZYSGCDHJVDZJFC-MRXNPFEDSA-N 1 1 352.410 2.335 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000823179905 675534614 /nfs/dbraw/zinc/53/46/14/675534614.db2.gz ZYSGCDHJVDZJFC-MRXNPFEDSA-N 1 1 352.410 2.335 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000603659044 675800800 /nfs/dbraw/zinc/80/08/00/675800800.db2.gz SZNXUOPOTDUQME-OCCSQVGLSA-N 1 1 355.460 2.302 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959026 675855219 /nfs/dbraw/zinc/85/52/19/675855219.db2.gz KMGXDTXEXGQIGQ-MNOVXSKESA-N 1 1 356.785 2.278 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000615833534 676231455 /nfs/dbraw/zinc/23/14/55/676231455.db2.gz XMAFOHAYKSPCBE-UZGISAJGSA-N 1 1 353.444 2.012 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000615833534 676231456 /nfs/dbraw/zinc/23/14/56/676231456.db2.gz XMAFOHAYKSPCBE-UZGISAJGSA-N 1 1 353.444 2.012 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000618455683 676340466 /nfs/dbraw/zinc/34/04/66/676340466.db2.gz CTQXRVJOTDAYHU-ZDUSSCGKSA-N 1 1 355.822 2.397 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)c([N+](=O)[O-])cc1F ZINC000830124805 677026796 /nfs/dbraw/zinc/02/67/96/677026796.db2.gz QBELPTFPPCPHJF-LLVKDONJSA-N 1 1 353.350 2.017 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](CN3CCOC3=O)C2)c([N+](=O)[O-])cc1F ZINC000830124805 677026797 /nfs/dbraw/zinc/02/67/97/677026797.db2.gz QBELPTFPPCPHJF-LLVKDONJSA-N 1 1 353.350 2.017 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000839415977 680752249 /nfs/dbraw/zinc/75/22/49/680752249.db2.gz VYXDFLSYOUVWRU-GFCCVEGCSA-N 1 1 350.375 2.368 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000839415977 680752250 /nfs/dbraw/zinc/75/22/50/680752250.db2.gz VYXDFLSYOUVWRU-GFCCVEGCSA-N 1 1 350.375 2.368 20 5 FEBDMO CC1(C)CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@H+]1CCO ZINC000839575247 680763214 /nfs/dbraw/zinc/76/32/14/680763214.db2.gz SJFWJLNMZUDWNT-UHFFFAOYSA-N 1 1 372.263 2.246 20 5 FEBDMO C[C@@H]1CSCC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840056817 680795570 /nfs/dbraw/zinc/79/55/70/680795570.db2.gz WVPXXGGWEODCKW-BLLLJJGKSA-N 1 1 351.428 2.174 20 5 FEBDMO C[C@@H]1CSCC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840056817 680795571 /nfs/dbraw/zinc/79/55/71/680795571.db2.gz WVPXXGGWEODCKW-BLLLJJGKSA-N 1 1 351.428 2.174 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000840951052 680856253 /nfs/dbraw/zinc/85/62/53/680856253.db2.gz RWLAOCHSLOMNDG-SNVBAGLBSA-N 1 1 372.834 2.368 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000911846590 685271397 /nfs/dbraw/zinc/27/13/97/685271397.db2.gz SFMRMWMNMLLQCJ-KGLIPLIRSA-N 1 1 367.833 2.477 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 ZINC000749146620 680023437 /nfs/dbraw/zinc/02/34/37/680023437.db2.gz IVWVBTFCCZPMFK-GFCCVEGCSA-N 1 1 352.391 2.082 20 5 FEBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140368 680101144 /nfs/dbraw/zinc/10/11/44/680101144.db2.gz CYEMZRWYXVNASH-NZHONMPCSA-N 1 1 358.225 2.395 20 5 FEBDMO CCOc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001022064108 680193361 /nfs/dbraw/zinc/19/33/61/680193361.db2.gz WPHMRLLWLDXJJR-NWJSVONSSA-N 1 1 367.833 2.141 20 5 FEBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063944 680193391 /nfs/dbraw/zinc/19/33/91/680193391.db2.gz QIVRHNKWRPGNHU-XJFOESAGSA-N 1 1 357.332 2.107 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000981136875 680217175 /nfs/dbraw/zinc/21/71/75/680217175.db2.gz JWCBHAYGKGFPSI-HUUCEWRRSA-N 1 1 353.369 2.324 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000981136875 680217176 /nfs/dbraw/zinc/21/71/76/680217176.db2.gz JWCBHAYGKGFPSI-HUUCEWRRSA-N 1 1 353.369 2.324 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccc(C(F)F)cc2)CC1 ZINC000981136875 680217177 /nfs/dbraw/zinc/21/71/77/680217177.db2.gz JWCBHAYGKGFPSI-HUUCEWRRSA-N 1 1 353.369 2.324 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000752246572 680231775 /nfs/dbraw/zinc/23/17/75/680231775.db2.gz GVRBDSIDRCDMHA-GFCCVEGCSA-N 1 1 373.862 2.319 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000752255554 680232283 /nfs/dbraw/zinc/23/22/83/680232283.db2.gz RJAAJVHLIFFLJF-WDEREUQCSA-N 1 1 361.851 2.318 20 5 FEBDMO Cc1cc(N2CCC[C@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000835147975 680300758 /nfs/dbraw/zinc/30/07/58/680300758.db2.gz MZVVOJNEOBMNJY-AWEZNQCLSA-N 1 1 350.419 2.441 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC000996428699 680332312 /nfs/dbraw/zinc/33/23/12/680332312.db2.gz GLFHCXNUKTWHPN-UKRRQHHQSA-N 1 1 355.797 2.225 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCc2c(F)cccc2Cl)CC1 ZINC000996443066 680332677 /nfs/dbraw/zinc/33/26/77/680332677.db2.gz YUCAJKXBIIERCX-CZUORRHYSA-N 1 1 369.824 2.267 20 5 FEBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](C/C=C\c3ccc(Cl)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775993 680337150 /nfs/dbraw/zinc/33/71/50/680337150.db2.gz SXNBNQVREYUSAL-NOLYXNQESA-N 1 1 361.829 2.065 20 5 FEBDMO O=C(N[C@@H]1[C@H]2C[N@H+](C/C=C\c3ccc(Cl)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775993 680337152 /nfs/dbraw/zinc/33/71/52/680337152.db2.gz SXNBNQVREYUSAL-NOLYXNQESA-N 1 1 361.829 2.065 20 5 FEBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](C/C=C\c3ccc(Cl)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775993 680337154 /nfs/dbraw/zinc/33/71/54/680337154.db2.gz SXNBNQVREYUSAL-NOLYXNQESA-N 1 1 361.829 2.065 20 5 FEBDMO Cc1cc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001029964674 680394309 /nfs/dbraw/zinc/39/43/09/680394309.db2.gz VECIHHPGRZGWGS-HZPDHXFCSA-N 1 1 351.472 2.392 20 5 FEBDMO Cc1cc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001029964674 680394317 /nfs/dbraw/zinc/39/43/17/680394317.db2.gz VECIHHPGRZGWGS-HZPDHXFCSA-N 1 1 351.472 2.392 20 5 FEBDMO Cc1cc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001029964674 680394324 /nfs/dbraw/zinc/39/43/24/680394324.db2.gz VECIHHPGRZGWGS-HZPDHXFCSA-N 1 1 351.472 2.392 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000837224553 680570937 /nfs/dbraw/zinc/57/09/37/680570937.db2.gz GKWCGNRLNHBYBT-UHFFFAOYSA-N 1 1 352.410 2.404 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000766208220 680870451 /nfs/dbraw/zinc/87/04/51/680870451.db2.gz XACJQTNVEMZOMK-CYBMUJFWSA-N 1 1 371.434 2.338 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000766208220 680870453 /nfs/dbraw/zinc/87/04/53/680870453.db2.gz XACJQTNVEMZOMK-CYBMUJFWSA-N 1 1 371.434 2.338 20 5 FEBDMO CC[N@H+](CCSC)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000842643630 680956678 /nfs/dbraw/zinc/95/66/78/680956678.db2.gz GFBFODUZOOWTMF-INIZCTEOSA-N 1 1 366.443 2.004 20 5 FEBDMO CC[N@@H+](CCSC)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000842643630 680956681 /nfs/dbraw/zinc/95/66/81/680956681.db2.gz GFBFODUZOOWTMF-INIZCTEOSA-N 1 1 366.443 2.004 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=S)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000843279891 680995157 /nfs/dbraw/zinc/99/51/57/680995157.db2.gz MVEAFTDBIJPKEM-BETUJISGSA-N 1 1 352.460 2.333 20 5 FEBDMO Cc1[nH+]ccn1CCOC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000772028843 681079282 /nfs/dbraw/zinc/07/92/82/681079282.db2.gz FYPIHZODZHKNLE-UHFFFAOYSA-N 1 1 351.384 2.041 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000772156659 681088104 /nfs/dbraw/zinc/08/81/04/681088104.db2.gz SDYDITLJCUWUES-QWHCGFSZSA-N 1 1 353.806 2.150 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000773101246 681125626 /nfs/dbraw/zinc/12/56/26/681125626.db2.gz OCONEHOTPSLDFH-UHFFFAOYSA-N 1 1 368.865 2.394 20 5 FEBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774641140 681214173 /nfs/dbraw/zinc/21/41/73/681214173.db2.gz YCSJBRSKXSDXEU-GFCCVEGCSA-N 1 1 365.821 2.356 20 5 FEBDMO O=C1NCC[C@H]1CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000846895136 681304644 /nfs/dbraw/zinc/30/46/44/681304644.db2.gz LUMRFTMSERCETO-JTQLQIEISA-N 1 1 368.231 2.242 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848509638 681567400 /nfs/dbraw/zinc/56/74/00/681567400.db2.gz LMOMAKKHUOBPST-QWHCGFSZSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848509638 681567404 /nfs/dbraw/zinc/56/74/04/681567404.db2.gz LMOMAKKHUOBPST-QWHCGFSZSA-N 1 1 357.407 2.029 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580217 681581819 /nfs/dbraw/zinc/58/18/19/681581819.db2.gz KPASCKRCQKDOJD-NSHDSACASA-N 1 1 355.341 2.167 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000849412460 681720621 /nfs/dbraw/zinc/72/06/21/681720621.db2.gz OGYGPYKOMWFZRY-NSHDSACASA-N 1 1 359.423 2.193 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000849412460 681720625 /nfs/dbraw/zinc/72/06/25/681720625.db2.gz OGYGPYKOMWFZRY-NSHDSACASA-N 1 1 359.423 2.193 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[N@@H+](C)CCN(C)C ZINC000936015819 681876931 /nfs/dbraw/zinc/87/69/31/681876931.db2.gz ZMASMQYHTTYEDD-UHFFFAOYSA-N 1 1 368.503 2.272 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000936015819 681876936 /nfs/dbraw/zinc/87/69/36/681876936.db2.gz ZMASMQYHTTYEDD-UHFFFAOYSA-N 1 1 368.503 2.272 20 5 FEBDMO O=C(OCC[NH+]1CCSCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781821066 681977265 /nfs/dbraw/zinc/97/72/65/681977265.db2.gz UDUKHOJUSKRPND-UHFFFAOYSA-N 1 1 362.354 2.402 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCN(C2CC2)C1 ZINC000782492748 682049221 /nfs/dbraw/zinc/04/92/21/682049221.db2.gz PKEOBOMQZPEUIL-AWEZNQCLSA-N 1 1 350.394 2.231 20 5 FEBDMO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000782492748 682049228 /nfs/dbraw/zinc/04/92/28/682049228.db2.gz PKEOBOMQZPEUIL-AWEZNQCLSA-N 1 1 350.394 2.231 20 5 FEBDMO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000782492748 682049234 /nfs/dbraw/zinc/04/92/34/682049234.db2.gz PKEOBOMQZPEUIL-AWEZNQCLSA-N 1 1 350.394 2.231 20 5 FEBDMO CN(C)C(=O)CCN1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783620324 682159757 /nfs/dbraw/zinc/15/97/57/682159757.db2.gz LOCBTLMBQUARHD-UHFFFAOYSA-N 1 1 368.865 2.281 20 5 FEBDMO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000783714838 682169296 /nfs/dbraw/zinc/16/92/96/682169296.db2.gz GAQKPCYOFPELRN-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000783714838 682169300 /nfs/dbraw/zinc/16/93/00/682169300.db2.gz GAQKPCYOFPELRN-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000784968278 682264316 /nfs/dbraw/zinc/26/43/16/682264316.db2.gz XVYNGMAZFVQLQJ-GHMZBOCLSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000784968278 682264320 /nfs/dbraw/zinc/26/43/20/682264320.db2.gz XVYNGMAZFVQLQJ-GHMZBOCLSA-N 1 1 368.821 2.128 20 5 FEBDMO COCC[N@@H+]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000790267151 682663939 /nfs/dbraw/zinc/66/39/39/682663939.db2.gz MXRONYYBKDHHQN-UHFFFAOYSA-N 1 1 371.821 2.193 20 5 FEBDMO COCC[N@H+]1CCCN(c2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000790267151 682663942 /nfs/dbraw/zinc/66/39/42/682663942.db2.gz MXRONYYBKDHHQN-UHFFFAOYSA-N 1 1 371.821 2.193 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1F ZINC000790451435 682678436 /nfs/dbraw/zinc/67/84/36/682678436.db2.gz RUDJXDZAAARQNU-AWEZNQCLSA-N 1 1 373.450 2.441 20 5 FEBDMO C[C@H]1CCSCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000790478729 682681371 /nfs/dbraw/zinc/68/13/71/682681371.db2.gz CEJYHJPOKTZNHP-LBPRGKRZSA-N 1 1 364.427 2.148 20 5 FEBDMO C[C@H]1CCSCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000790478729 682681373 /nfs/dbraw/zinc/68/13/73/682681373.db2.gz CEJYHJPOKTZNHP-LBPRGKRZSA-N 1 1 364.427 2.148 20 5 FEBDMO CCC[N@H+]1CC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000856073406 682739387 /nfs/dbraw/zinc/73/93/87/682739387.db2.gz PFIZHHQLHPDYOQ-ZDUSSCGKSA-N 1 1 350.375 2.036 20 5 FEBDMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000792016942 682781259 /nfs/dbraw/zinc/78/12/59/682781259.db2.gz QUSIBIRBWSVJLE-UHFFFAOYSA-N 1 1 353.394 2.307 20 5 FEBDMO COCCC[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795411846 683050050 /nfs/dbraw/zinc/05/00/50/683050050.db2.gz CPWLWLDNHBIPHD-UHFFFAOYSA-N 1 1 372.219 2.239 20 5 FEBDMO COCCC[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795411846 683050054 /nfs/dbraw/zinc/05/00/54/683050054.db2.gz CPWLWLDNHBIPHD-UHFFFAOYSA-N 1 1 372.219 2.239 20 5 FEBDMO C[C@@H](C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860096256 683201248 /nfs/dbraw/zinc/20/12/48/683201248.db2.gz VVADICQQQRBVAV-SWLSCSKDSA-N 1 1 353.419 2.473 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228008 683325663 /nfs/dbraw/zinc/32/56/63/683325663.db2.gz CZMMRTLGEMAFQZ-VIFPVBQESA-N 1 1 367.830 2.396 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798294663 683332381 /nfs/dbraw/zinc/33/23/81/683332381.db2.gz HPJXXODAFPHDBJ-CABZTGNLSA-N 1 1 371.235 2.165 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1F ZINC000928077514 683370124 /nfs/dbraw/zinc/37/01/24/683370124.db2.gz CFDBPCKQXZJWCQ-CMPLNLGQSA-N 1 1 371.409 2.491 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1F ZINC000928077514 683370129 /nfs/dbraw/zinc/37/01/29/683370129.db2.gz CFDBPCKQXZJWCQ-CMPLNLGQSA-N 1 1 371.409 2.491 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000929832715 683644321 /nfs/dbraw/zinc/64/43/21/683644321.db2.gz DZBSSPGTYLUKGR-CABZTGNLSA-N 1 1 356.329 2.364 20 5 FEBDMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294535 683699511 /nfs/dbraw/zinc/69/95/11/683699511.db2.gz HIVHKPRYECTKRU-HLLBOEOZSA-N 1 1 363.439 2.459 20 5 FEBDMO O=C1C[C@@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294535 683699514 /nfs/dbraw/zinc/69/95/14/683699514.db2.gz HIVHKPRYECTKRU-HLLBOEOZSA-N 1 1 363.439 2.459 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000865636599 684008025 /nfs/dbraw/zinc/00/80/25/684008025.db2.gz YYPAOBZACNPSDG-UHFFFAOYSA-N 1 1 355.410 2.021 20 5 FEBDMO COCCOCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865912341 684044401 /nfs/dbraw/zinc/04/44/01/684044401.db2.gz OAPAEJRJHZIWBY-UHFFFAOYSA-N 1 1 359.373 2.317 20 5 FEBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)CCN1CCN(C)CC1 ZINC000866340984 684093334 /nfs/dbraw/zinc/09/33/34/684093334.db2.gz JJXIRYJJRMBRSC-LSDHHAIUSA-N 1 1 352.454 2.281 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000931990587 684383880 /nfs/dbraw/zinc/38/38/80/684383880.db2.gz RNOQTBAONSBBBA-ZDUSSCGKSA-N 1 1 353.444 2.157 20 5 FEBDMO CCN(CC)C(=O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000876985998 686305596 /nfs/dbraw/zinc/30/55/96/686305596.db2.gz ZJYXVMHFNYSMCM-UHFFFAOYSA-N 1 1 350.238 2.377 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000877887496 686476483 /nfs/dbraw/zinc/47/64/83/686476483.db2.gz OBUBLFJFUPGLMF-UHFFFAOYSA-N 1 1 353.423 2.043 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000877887496 686476486 /nfs/dbraw/zinc/47/64/86/686476486.db2.gz OBUBLFJFUPGLMF-UHFFFAOYSA-N 1 1 353.423 2.043 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)o1 ZINC000878200665 686539763 /nfs/dbraw/zinc/53/97/63/686539763.db2.gz NUJGGOHXZOGORJ-UONOGXRCSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)o1 ZINC000878200665 686539769 /nfs/dbraw/zinc/53/97/69/686539769.db2.gz NUJGGOHXZOGORJ-UONOGXRCSA-N 1 1 362.411 2.351 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878650200 686628294 /nfs/dbraw/zinc/62/82/94/686628294.db2.gz HWSCRPIAUCUMAM-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000879575509 686860907 /nfs/dbraw/zinc/86/09/07/686860907.db2.gz LCHOTKKFNVWXCM-SMDDNHRTSA-N 1 1 352.822 2.213 20 5 FEBDMO CC(C)(C)c1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCO)CC1 ZINC000880708954 687077172 /nfs/dbraw/zinc/07/71/72/687077172.db2.gz IFDGYZQINXWUOX-UHFFFAOYSA-N 1 1 350.419 2.034 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000882930626 687529418 /nfs/dbraw/zinc/52/94/18/687529418.db2.gz MZRQHMYILNFNPZ-UHFFFAOYSA-N 1 1 353.467 2.447 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000884954311 687973452 /nfs/dbraw/zinc/97/34/52/687973452.db2.gz CBUKGNJGJZDYLE-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000885456124 688077205 /nfs/dbraw/zinc/07/72/05/688077205.db2.gz YLDIXZRIPHMWHI-YPMHNXCESA-N 1 1 373.862 2.496 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885895601 688180917 /nfs/dbraw/zinc/18/09/17/688180917.db2.gz IESGXUKQCJRQTK-AWEZNQCLSA-N 1 1 365.455 2.300 20 5 FEBDMO CSCc1nnc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000886753430 688301898 /nfs/dbraw/zinc/30/18/98/688301898.db2.gz KNVDCIVHVCHRCK-UHFFFAOYSA-N 1 1 362.459 2.335 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000888279314 688576542 /nfs/dbraw/zinc/57/65/42/688576542.db2.gz ATOUCABCWXRCBA-RYUDHWBXSA-N 1 1 370.837 2.475 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000888279314 688576544 /nfs/dbraw/zinc/57/65/44/688576544.db2.gz ATOUCABCWXRCBA-RYUDHWBXSA-N 1 1 370.837 2.475 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000888285157 688577111 /nfs/dbraw/zinc/57/71/11/688577111.db2.gz VXBRVBKKMLDIJP-YGRLFVJLSA-N 1 1 356.810 2.397 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000888285157 688577113 /nfs/dbraw/zinc/57/71/13/688577113.db2.gz VXBRVBKKMLDIJP-YGRLFVJLSA-N 1 1 356.810 2.397 20 5 FEBDMO O=[N+]([O-])c1cnc2c(Cl)cccc2c1N1CCC[N@H+](CCO)CC1 ZINC000892338493 689182847 /nfs/dbraw/zinc/18/28/47/689182847.db2.gz ZBUBCJBGIVRDLF-UHFFFAOYSA-N 1 1 350.806 2.301 20 5 FEBDMO COC(=O)c1cc(C)nc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895569718 689736686 /nfs/dbraw/zinc/73/66/86/689736686.db2.gz MZAQMOCAMJYJIQ-OLZOCXBDSA-N 1 1 366.443 2.077 20 5 FEBDMO COC(=O)c1cc(C)nc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895569718 689736688 /nfs/dbraw/zinc/73/66/88/689736688.db2.gz MZAQMOCAMJYJIQ-OLZOCXBDSA-N 1 1 366.443 2.077 20 5 FEBDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000900837399 690571839 /nfs/dbraw/zinc/57/18/39/690571839.db2.gz GICOIBBJOLIYRX-SJORKVTESA-N 1 1 365.455 2.016 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000903215167 690867944 /nfs/dbraw/zinc/86/79/44/690867944.db2.gz ZCZFMZJHYPXQIW-LLVKDONJSA-N 1 1 359.835 2.025 20 5 FEBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@@H](C4OCCO4)C3)c2c(Cl)c1 ZINC000905696368 691163773 /nfs/dbraw/zinc/16/37/73/691163773.db2.gz OLEGIADFRHLMNP-SNVBAGLBSA-N 1 1 352.778 2.250 20 5 FEBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@H](C4OCCO4)C3)c2c(Cl)c1 ZINC000905696368 691163777 /nfs/dbraw/zinc/16/37/77/691163777.db2.gz OLEGIADFRHLMNP-SNVBAGLBSA-N 1 1 352.778 2.250 20 5 FEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C2 ZINC000908534737 691694700 /nfs/dbraw/zinc/69/47/00/691694700.db2.gz FQINRUINUAQIJI-INIZCTEOSA-N 1 1 352.822 2.388 20 5 FEBDMO Nc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164906329 721540158 /nfs/dbraw/zinc/54/01/58/721540158.db2.gz JVLKKUYLCDOHHS-DZGCQCFKSA-N 1 1 373.388 2.053 20 5 FEBDMO Nc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907537 721551976 /nfs/dbraw/zinc/55/19/76/721551976.db2.gz OCUDDDXAOTZDLZ-GOEBONIOSA-N 1 1 373.388 2.053 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164927599 721858578 /nfs/dbraw/zinc/85/85/78/721858578.db2.gz LNUSJQTVQYUVSL-ZIAGYGMSSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164927599 721858580 /nfs/dbraw/zinc/85/85/80/721858580.db2.gz LNUSJQTVQYUVSL-ZIAGYGMSSA-N 1 1 353.854 2.166 20 5 FEBDMO CC(C)Oc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000594539364 721920232 /nfs/dbraw/zinc/92/02/32/721920232.db2.gz BKGLGQWAMKZPQP-AWEZNQCLSA-N 1 1 350.419 2.078 20 5 FEBDMO Nc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164955845 722019170 /nfs/dbraw/zinc/01/91/70/722019170.db2.gz OYWNIKRRSCJXRY-UHFFFAOYSA-N 1 1 368.441 2.460 20 5 FEBDMO CC(C)C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000026224839 539781107 /nfs/dbraw/zinc/78/11/07/539781107.db2.gz CILQEIJIXRRMJR-INIZCTEOSA-N 1 1 350.419 2.463 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000026852809 539794586 /nfs/dbraw/zinc/79/45/86/539794586.db2.gz FCNZXZPLIWREBM-MRXNPFEDSA-N 1 1 355.394 2.364 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032441263 539939456 /nfs/dbraw/zinc/93/94/56/539939456.db2.gz QQSXLMUWOIFNNX-STQMWFEESA-N 1 1 355.460 2.444 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000041651450 540029747 /nfs/dbraw/zinc/02/97/47/540029747.db2.gz RVGUJJVWMJRMLO-GXTWGEPZSA-N 1 1 362.430 2.078 20 5 FEBDMO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000045851939 540231371 /nfs/dbraw/zinc/23/13/71/540231371.db2.gz ABDNJDMFVSIQPH-INIZCTEOSA-N 1 1 351.407 2.187 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000046034338 540238613 /nfs/dbraw/zinc/23/86/13/540238613.db2.gz XWHZKFVXGYHFEB-GXTWGEPZSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000046343975 540252942 /nfs/dbraw/zinc/25/29/42/540252942.db2.gz DDECKYWTLYQOOW-KRWDZBQOSA-N 1 1 371.437 2.465 20 5 FEBDMO C[N@H+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)[C@H](c2ccccc2)C1 ZINC000046388163 540255331 /nfs/dbraw/zinc/25/53/31/540255331.db2.gz KWHVYWSJOKVKNJ-INIZCTEOSA-N 1 1 372.425 2.296 20 5 FEBDMO CN1CC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)[C@H](c2ccccc2)C1 ZINC000046388163 540255334 /nfs/dbraw/zinc/25/53/34/540255334.db2.gz KWHVYWSJOKVKNJ-INIZCTEOSA-N 1 1 372.425 2.296 20 5 FEBDMO CN1CC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)[C@H](c2ccccc2)C1 ZINC000046388163 540255336 /nfs/dbraw/zinc/25/53/36/540255336.db2.gz KWHVYWSJOKVKNJ-INIZCTEOSA-N 1 1 372.425 2.296 20 5 FEBDMO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000047744823 540327194 /nfs/dbraw/zinc/32/71/94/540327194.db2.gz KDYCIHNHTQSBHG-LJQANCHMSA-N 1 1 371.437 2.465 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000048427732 540361694 /nfs/dbraw/zinc/36/16/94/540361694.db2.gz YNNZEMMXJZXNMW-UHFFFAOYSA-N 1 1 353.444 2.111 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000052247434 540460500 /nfs/dbraw/zinc/46/05/00/540460500.db2.gz DVSODEDVWCBGHV-ZDUSSCGKSA-N 1 1 370.475 2.309 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000052247433 540460608 /nfs/dbraw/zinc/46/06/08/540460608.db2.gz DVSODEDVWCBGHV-CYBMUJFWSA-N 1 1 370.475 2.309 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929442 540500531 /nfs/dbraw/zinc/50/05/31/540500531.db2.gz SZOZLQQNGFSZMK-HNNXBMFYSA-N 1 1 374.441 2.080 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929442 540500536 /nfs/dbraw/zinc/50/05/36/540500536.db2.gz SZOZLQQNGFSZMK-HNNXBMFYSA-N 1 1 374.441 2.080 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000054620788 540599073 /nfs/dbraw/zinc/59/90/73/540599073.db2.gz JRQWGZILBPSZRY-GFCCVEGCSA-N 1 1 374.397 2.343 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCc2ccccc2C1 ZINC000054647099 540599663 /nfs/dbraw/zinc/59/96/63/540599663.db2.gz SYKFZLJCJSPQPV-UHFFFAOYSA-N 1 1 368.437 2.495 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)NCc2ccccc2[N+](=O)[O-])cn1 ZINC000056405982 540724512 /nfs/dbraw/zinc/72/45/12/540724512.db2.gz DCXXXYMESSEWNR-UHFFFAOYSA-N 1 1 366.381 2.483 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000057148210 540772257 /nfs/dbraw/zinc/77/22/57/540772257.db2.gz JTJFNLWQYXPQDI-FRRDWIJNSA-N 1 1 370.475 2.021 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000065742356 541256889 /nfs/dbraw/zinc/25/68/89/541256889.db2.gz ZRZJPONIAZZNFW-UHFFFAOYSA-N 1 1 371.441 2.143 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2ccccc2)CC1 ZINC000065858909 541266986 /nfs/dbraw/zinc/26/69/86/541266986.db2.gz JRBNWIYTMZIIMZ-UHFFFAOYSA-N 1 1 368.437 2.394 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCn3cncn3)CC2)c(C(F)(F)F)c1 ZINC000066854684 541381090 /nfs/dbraw/zinc/38/10/90/541381090.db2.gz TUMRDDUFTOZLAN-UHFFFAOYSA-N 1 1 370.335 2.027 20 5 FEBDMO CNC(=O)c1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000066861499 541383313 /nfs/dbraw/zinc/38/33/13/541383313.db2.gz ONPKDVUPRLPCRZ-UHFFFAOYSA-N 1 1 354.410 2.277 20 5 FEBDMO COc1cc(OCC(=O)NCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000068899608 541638268 /nfs/dbraw/zinc/63/82/68/541638268.db2.gz YNMIQGFRXFGQNB-UHFFFAOYSA-N 1 1 365.430 2.363 20 5 FEBDMO CCN(C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000072630049 541841427 /nfs/dbraw/zinc/84/14/27/541841427.db2.gz VPWZYTWFTYNANH-ZDUSSCGKSA-N 1 1 355.460 2.402 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000046560738 205137464 /nfs/dbraw/zinc/13/74/64/205137464.db2.gz FOQWOGAEVIQMRA-UHFFFAOYSA-N 1 1 362.430 2.032 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000072898441 541890205 /nfs/dbraw/zinc/89/02/05/541890205.db2.gz SWKDNRXHFKEHKQ-ZDUSSCGKSA-N 1 1 363.414 2.433 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000072904588 541892336 /nfs/dbraw/zinc/89/23/36/541892336.db2.gz DUNSKBZKRWHGDC-AWEZNQCLSA-N 1 1 372.429 2.170 20 5 FEBDMO COc1ccccc1C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075711447 542199348 /nfs/dbraw/zinc/19/93/48/542199348.db2.gz JEMHPXZOVVLOSW-QAPCUYQASA-N 1 1 374.441 2.116 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000801546642 674134756 /nfs/dbraw/zinc/13/47/56/674134756.db2.gz NRVDOGAJZOHNKO-RYUDHWBXSA-N 1 1 372.263 2.244 20 5 FEBDMO C[NH+](C)C1(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000551594684 674153260 /nfs/dbraw/zinc/15/32/60/674153260.db2.gz UQNUDUIBYUVQRE-HNNXBMFYSA-N 1 1 351.447 2.189 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](Nc3c([N+](=O)[O-])ncn3C)C2)cc(OC)c1 ZINC000088751426 542755587 /nfs/dbraw/zinc/75/55/87/542755587.db2.gz FNCHSTUQYXNPNL-ZDUSSCGKSA-N 1 1 361.402 2.032 20 5 FEBDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000089961823 542778432 /nfs/dbraw/zinc/77/84/32/542778432.db2.gz LSWPRIKQNFOSHX-HUUCEWRRSA-N 1 1 361.423 2.022 20 5 FEBDMO CCC[N@@H+](CC(=O)N(C)C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092382074 542861099 /nfs/dbraw/zinc/86/10/99/542861099.db2.gz QRKUJMGZZQBSDI-UHFFFAOYSA-N 1 1 359.430 2.296 20 5 FEBDMO CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534789 542934005 /nfs/dbraw/zinc/93/40/05/542934005.db2.gz LVFSTVORMFQFSH-LBPRGKRZSA-N 1 1 360.370 2.446 20 5 FEBDMO CCOC(=O)c1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534789 542934008 /nfs/dbraw/zinc/93/40/08/542934008.db2.gz LVFSTVORMFQFSH-LBPRGKRZSA-N 1 1 360.370 2.446 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000106088638 543193538 /nfs/dbraw/zinc/19/35/38/543193538.db2.gz WGYPENCCOBNGPE-MRXNPFEDSA-N 1 1 357.414 2.494 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000107283672 543265927 /nfs/dbraw/zinc/26/59/27/543265927.db2.gz CVDPMQZAZQJDIR-QGZVFWFLSA-N 1 1 360.458 2.145 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000107894206 543281017 /nfs/dbraw/zinc/28/10/17/543281017.db2.gz BYLOBHDIUQBAGE-HNNXBMFYSA-N 1 1 360.458 2.269 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)s1 ZINC000108401300 543288845 /nfs/dbraw/zinc/28/88/45/543288845.db2.gz SXXZMNSBBRHKAG-GFCCVEGCSA-N 1 1 359.473 2.295 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108403870 543288996 /nfs/dbraw/zinc/28/89/96/543288996.db2.gz CNGBBUDLBWJZST-GFCCVEGCSA-N 1 1 373.862 2.319 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000109980977 543345514 /nfs/dbraw/zinc/34/55/14/543345514.db2.gz BUZSUCQDOHSHAH-OAHLLOKOSA-N 1 1 351.451 2.261 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)CCc1ccccc1 ZINC000112698419 543457677 /nfs/dbraw/zinc/45/76/77/543457677.db2.gz USUSLPXVLFLRFG-UHFFFAOYSA-N 1 1 357.410 2.379 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)CCc1ccccc1 ZINC000112698419 543457678 /nfs/dbraw/zinc/45/76/78/543457678.db2.gz USUSLPXVLFLRFG-UHFFFAOYSA-N 1 1 357.410 2.379 20 5 FEBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)Cc1ccc(OC)cc1 ZINC000247483884 549341195 /nfs/dbraw/zinc/34/11/95/549341195.db2.gz KKKAENQIWAEOMM-PBHICJAKSA-N 1 1 362.430 2.114 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000120056303 543674728 /nfs/dbraw/zinc/67/47/28/543674728.db2.gz WXNVASKAKQMTPS-UHFFFAOYSA-N 1 1 363.462 2.361 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000123788083 543782277 /nfs/dbraw/zinc/78/22/77/543782277.db2.gz GZXLSNJULRQZDG-BBRMVZONSA-N 1 1 357.414 2.335 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)CN1CCOCC1 ZINC000123845580 543786808 /nfs/dbraw/zinc/78/68/08/543786808.db2.gz LGILFBLXOZIYES-UHFFFAOYSA-N 1 1 351.447 2.264 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1ccnc1 ZINC000124315671 543813564 /nfs/dbraw/zinc/81/35/64/543813564.db2.gz OMTZUVWARIJSHX-CYBMUJFWSA-N 1 1 361.402 2.149 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000125805232 543902871 /nfs/dbraw/zinc/90/28/71/543902871.db2.gz QHNCABMCYPDKKJ-UHFFFAOYSA-N 1 1 363.336 2.312 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000129222356 544098584 /nfs/dbraw/zinc/09/85/84/544098584.db2.gz NOSHYHKBYCXZLJ-JXMROGBWSA-N 1 1 374.485 2.484 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129976484 544133701 /nfs/dbraw/zinc/13/37/01/544133701.db2.gz AUOTYYSGCQTTHE-CQSZACIVSA-N 1 1 353.350 2.090 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000129976484 544133702 /nfs/dbraw/zinc/13/37/02/544133702.db2.gz AUOTYYSGCQTTHE-CQSZACIVSA-N 1 1 353.350 2.090 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130312365 544146191 /nfs/dbraw/zinc/14/61/91/544146191.db2.gz GEIBJIYLBIFAJJ-UHFFFAOYSA-N 1 1 358.354 2.329 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000130331262 544146793 /nfs/dbraw/zinc/14/67/93/544146793.db2.gz JTYBXAKVNZSVAF-UHFFFAOYSA-N 1 1 371.441 2.143 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000131665651 544200641 /nfs/dbraw/zinc/20/06/41/544200641.db2.gz HBQPEWXRGVQPMJ-OAHLLOKOSA-N 1 1 367.471 2.040 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](COC)Cc1ccccc1 ZINC000132372785 544228901 /nfs/dbraw/zinc/22/89/01/544228901.db2.gz MKJIONUJSQIGPI-GOSISDBHSA-N 1 1 359.426 2.336 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000134914019 544326983 /nfs/dbraw/zinc/32/69/83/544326983.db2.gz GZQVPKQFSQVAIT-GDBMZVCRSA-N 1 1 371.441 2.306 20 5 FEBDMO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452664 544347512 /nfs/dbraw/zinc/34/75/12/544347512.db2.gz GOCCZKMUQRWVGK-HOTGVXAUSA-N 1 1 358.398 2.070 20 5 FEBDMO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141443360 544412861 /nfs/dbraw/zinc/41/28/61/544412861.db2.gz MCFFARQEAQXONM-MRXNPFEDSA-N 1 1 355.398 2.091 20 5 FEBDMO COC(=O)CC[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC(C)C ZINC000143850796 544425282 /nfs/dbraw/zinc/42/52/82/544425282.db2.gz PESGBWXUZZVQMM-UHFFFAOYSA-N 1 1 351.403 2.363 20 5 FEBDMO C[NH+]1CCN([C@H]2CCCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000150983076 544493034 /nfs/dbraw/zinc/49/30/34/544493034.db2.gz FZBKNESXUGMVPB-IBGZPJMESA-N 1 1 374.485 2.156 20 5 FEBDMO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000153443996 544776472 /nfs/dbraw/zinc/77/64/72/544776472.db2.gz QQFRPTLHLLRWMR-INIZCTEOSA-N 1 1 360.458 2.364 20 5 FEBDMO COc1cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000153828527 544829869 /nfs/dbraw/zinc/82/98/69/544829869.db2.gz LDZBRWUXJZQPSJ-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000153828527 544829874 /nfs/dbraw/zinc/82/98/74/544829874.db2.gz LDZBRWUXJZQPSJ-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000153848672 544831601 /nfs/dbraw/zinc/83/16/01/544831601.db2.gz CUPOFELTEZACAP-OAHLLOKOSA-N 1 1 350.419 2.262 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153981293 544848421 /nfs/dbraw/zinc/84/84/21/544848421.db2.gz ZEKPSWUBNLHITJ-ZBFHGGJFSA-N 1 1 359.426 2.449 20 5 FEBDMO Cc1cc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000154277496 544884007 /nfs/dbraw/zinc/88/40/07/544884007.db2.gz OBFSBJFWKUHFAU-JWTNVVGKSA-N 1 1 372.469 2.286 20 5 FEBDMO COC(=O)c1cc(C)nc(N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000553067884 674236432 /nfs/dbraw/zinc/23/64/32/674236432.db2.gz LGVLRURXBXNJRD-CYBMUJFWSA-N 1 1 350.419 2.395 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000188229185 328074477 /nfs/dbraw/zinc/07/44/77/328074477.db2.gz OJVJNYMPFVQLQH-UONOGXRCSA-N 1 1 355.460 2.135 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000188825507 328112747 /nfs/dbraw/zinc/11/27/47/328112747.db2.gz GRDNTSXRAKOVIG-HNNXBMFYSA-N 1 1 350.419 2.382 20 5 FEBDMO COCCO[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000188823662 328112846 /nfs/dbraw/zinc/11/28/46/328112846.db2.gz QKBHXWTYDKBPFO-KRWDZBQOSA-N 1 1 360.414 2.233 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189410959 328146301 /nfs/dbraw/zinc/14/63/01/328146301.db2.gz HXICWQQPHWPLJG-HNNXBMFYSA-N 1 1 351.447 2.141 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000191348598 328261414 /nfs/dbraw/zinc/26/14/14/328261414.db2.gz LSHGZJRRMQNCGG-GOSISDBHSA-N 1 1 361.442 2.294 20 5 FEBDMO CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191639413 328275185 /nfs/dbraw/zinc/27/51/85/328275185.db2.gz JTZPXSCDFIPYLA-IBGZPJMESA-N 1 1 361.442 2.357 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000191656739 328275986 /nfs/dbraw/zinc/27/59/86/328275986.db2.gz ZCKVDDSCLHEDLT-GOSISDBHSA-N 1 1 365.430 2.415 20 5 FEBDMO CC(C)C[C@]1(CO)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000191665331 328276517 /nfs/dbraw/zinc/27/65/17/328276517.db2.gz KDTRXIGZLUGBJS-WMZOPIPTSA-N 1 1 352.431 2.208 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000192758084 328337869 /nfs/dbraw/zinc/33/78/69/328337869.db2.gz VFTUPZUOAIJLNU-MRXNPFEDSA-N 1 1 359.430 2.298 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193640398 328387198 /nfs/dbraw/zinc/38/71/98/328387198.db2.gz MDQHPWFJSLBVOY-SDDRHHMPSA-N 1 1 352.822 2.069 20 5 FEBDMO COc1ccccc1[C@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000022679045 324399797 /nfs/dbraw/zinc/39/97/97/324399797.db2.gz KGLWKIYCXMFEPA-INIZCTEOSA-N 1 1 373.409 2.401 20 5 FEBDMO Cc1c(NC(=O)CC[NH+]2CCN(CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000057919978 324831367 /nfs/dbraw/zinc/83/13/67/324831367.db2.gz LRWJSEXJQFFFMS-UHFFFAOYSA-N 1 1 356.373 2.115 20 5 FEBDMO CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1Cc1ccccc1 ZINC000090526635 325362134 /nfs/dbraw/zinc/36/21/34/325362134.db2.gz LSRIERXWFMEVNG-UHFFFAOYSA-N 1 1 370.453 2.353 20 5 FEBDMO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118865934 326109288 /nfs/dbraw/zinc/10/92/88/326109288.db2.gz NVKGGEVEGDOSGN-GJZGRUSLSA-N 1 1 361.446 2.267 20 5 FEBDMO CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118865934 326109289 /nfs/dbraw/zinc/10/92/89/326109289.db2.gz NVKGGEVEGDOSGN-GJZGRUSLSA-N 1 1 361.446 2.267 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000119060700 326123409 /nfs/dbraw/zinc/12/34/09/326123409.db2.gz ZZYUIGZLZPDLSI-AWEZNQCLSA-N 1 1 370.475 2.165 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000119276634 326144500 /nfs/dbraw/zinc/14/45/00/326144500.db2.gz WJXWREOKINZWQF-UHFFFAOYSA-N 1 1 368.397 2.496 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c1 ZINC000119446075 326163353 /nfs/dbraw/zinc/16/33/53/326163353.db2.gz CMZZOSWLZAMXMP-CYBMUJFWSA-N 1 1 363.414 2.089 20 5 FEBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000119729613 326192315 /nfs/dbraw/zinc/19/23/15/326192315.db2.gz FHFZYVLFRFOGTN-LBPRGKRZSA-N 1 1 368.821 2.434 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000119828952 326202720 /nfs/dbraw/zinc/20/27/20/326202720.db2.gz WAPVYQCESJFZOP-PBHICJAKSA-N 1 1 371.441 2.163 20 5 FEBDMO O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119841623 326204202 /nfs/dbraw/zinc/20/42/02/326204202.db2.gz QIMKUMPJAKWJGH-SFHVURJKSA-N 1 1 359.426 2.123 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120032884 326223334 /nfs/dbraw/zinc/22/33/34/326223334.db2.gz VNMJZUYMSFXMBW-UONOGXRCSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120032884 326223336 /nfs/dbraw/zinc/22/33/36/326223336.db2.gz VNMJZUYMSFXMBW-UONOGXRCSA-N 1 1 350.419 2.130 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000121765974 326365163 /nfs/dbraw/zinc/36/51/63/326365163.db2.gz FTRGAXCRYINGHZ-CYBMUJFWSA-N 1 1 360.414 2.009 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)[nH+]1 ZINC000155263543 326782761 /nfs/dbraw/zinc/78/27/61/326782761.db2.gz ZWGNTCSNUAHGOT-UHFFFAOYSA-N 1 1 364.427 2.305 20 5 FEBDMO COCC[N@@H+](C)CCCC1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000162589247 327029216 /nfs/dbraw/zinc/02/92/16/327029216.db2.gz RPWFWPBEEDOXMU-UHFFFAOYSA-N 1 1 353.467 2.212 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000163072431 327042014 /nfs/dbraw/zinc/04/20/14/327042014.db2.gz SVRAYCWRCRKVAE-MRXNPFEDSA-N 1 1 350.419 2.382 20 5 FEBDMO C[C@@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[N@H+]1Cc1ccccc1 ZINC000163436673 327051571 /nfs/dbraw/zinc/05/15/71/327051571.db2.gz FTCNWZZEQXTNPV-IBGZPJMESA-N 1 1 371.441 2.352 20 5 FEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000171461096 327141088 /nfs/dbraw/zinc/14/10/88/327141088.db2.gz WGECKBJNTDKENK-LJQANCHMSA-N 1 1 369.421 2.409 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000172581954 327209524 /nfs/dbraw/zinc/20/95/24/327209524.db2.gz KXUMEFADJAPZGQ-SFHVURJKSA-N 1 1 363.458 2.285 20 5 FEBDMO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472792 327259695 /nfs/dbraw/zinc/25/96/95/327259695.db2.gz MHUNFQXDKMMYRM-DOTOQJQBSA-N 1 1 372.425 2.224 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173669252 327275249 /nfs/dbraw/zinc/27/52/49/327275249.db2.gz DQRFIPBBYSHHSH-AWEZNQCLSA-N 1 1 355.460 2.398 20 5 FEBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000173822252 327286494 /nfs/dbraw/zinc/28/64/94/327286494.db2.gz VBKCXOUPLWQIAW-WDEREUQCSA-N 1 1 359.835 2.105 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174142686 327308597 /nfs/dbraw/zinc/30/85/97/327308597.db2.gz QLSACOCVDONMHI-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174194968 327312183 /nfs/dbraw/zinc/31/21/83/327312183.db2.gz UBZXQMFOMRHETI-LBPRGKRZSA-N 1 1 353.806 2.043 20 5 FEBDMO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174715900 327345289 /nfs/dbraw/zinc/34/52/89/327345289.db2.gz AKAZAJLJBZTWKO-CYBMUJFWSA-N 1 1 358.320 2.303 20 5 FEBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174783249 327350850 /nfs/dbraw/zinc/35/08/50/327350850.db2.gz NMSOJASXCMJENR-ZBFHGGJFSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174783249 327350852 /nfs/dbraw/zinc/35/08/52/327350852.db2.gz NMSOJASXCMJENR-ZBFHGGJFSA-N 1 1 356.444 2.261 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175149307 327376986 /nfs/dbraw/zinc/37/69/86/327376986.db2.gz SYNGDZYEKMEROM-LSDHHAIUSA-N 1 1 367.471 2.459 20 5 FEBDMO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@H+]1C[C@@H](C)O ZINC000175280273 327384371 /nfs/dbraw/zinc/38/43/71/327384371.db2.gz IBWGYLOABXOEAL-KGLIPLIRSA-N 1 1 350.419 2.212 20 5 FEBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262103267 328842501 /nfs/dbraw/zinc/84/25/01/328842501.db2.gz ZLPDYHDYDBXIHO-QGZVFWFLSA-N 1 1 371.393 2.155 20 5 FEBDMO CCN(C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000264504560 329030536 /nfs/dbraw/zinc/03/05/36/329030536.db2.gz OQVMBLUYRZNGFA-CYBMUJFWSA-N 1 1 355.460 2.402 20 5 FEBDMO COCCOC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000265322567 329114084 /nfs/dbraw/zinc/11/40/84/329114084.db2.gz JDFPUOWRIKTMRB-UHFFFAOYSA-N 1 1 352.387 2.089 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265922103 329173119 /nfs/dbraw/zinc/17/31/19/329173119.db2.gz CGVOWKZEDYSLBV-CYBMUJFWSA-N 1 1 351.403 2.216 20 5 FEBDMO COc1cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980822 329178932 /nfs/dbraw/zinc/17/89/32/329178932.db2.gz YXSQRJHKRGRKHO-OLZOCXBDSA-N 1 1 365.430 2.462 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000266158390 329195972 /nfs/dbraw/zinc/19/59/72/329195972.db2.gz ONVRBDWCLNGTDX-OAHLLOKOSA-N 1 1 363.414 2.119 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266207031 329200590 /nfs/dbraw/zinc/20/05/90/329200590.db2.gz PMTFKOATKGDHED-YPMHNXCESA-N 1 1 359.423 2.085 20 5 FEBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)CC1 ZINC000266348198 329213650 /nfs/dbraw/zinc/21/36/50/329213650.db2.gz JBSFPERJLMKFSM-AWEZNQCLSA-N 1 1 370.400 2.412 20 5 FEBDMO COc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000266441593 329223293 /nfs/dbraw/zinc/22/32/93/329223293.db2.gz AOSQDVSAZBOWST-GOOCMWNKSA-N 1 1 362.430 2.418 20 5 FEBDMO C[C@@H](O)CC[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266746694 329255495 /nfs/dbraw/zinc/25/54/95/329255495.db2.gz ONWDIUMUGUHDDT-LLVKDONJSA-N 1 1 364.427 2.360 20 5 FEBDMO C[C@@H](O)CC[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266746694 329255497 /nfs/dbraw/zinc/25/54/97/329255497.db2.gz ONWDIUMUGUHDDT-LLVKDONJSA-N 1 1 364.427 2.360 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272449829 329782109 /nfs/dbraw/zinc/78/21/09/329782109.db2.gz BYZAUQAXXATORT-VIFPVBQESA-N 1 1 360.399 2.171 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]CCSCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000272515387 329787235 /nfs/dbraw/zinc/78/72/35/329787235.db2.gz JZLYZQIPPPFIRK-OAHLLOKOSA-N 1 1 350.444 2.123 20 5 FEBDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000275853171 330096496 /nfs/dbraw/zinc/09/64/96/330096496.db2.gz SCQJYSLQMWQNPX-ZIAGYGMSSA-N 1 1 364.446 2.142 20 5 FEBDMO COCCOCCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000276224603 330130782 /nfs/dbraw/zinc/13/07/82/330130782.db2.gz JMQGIYPTCKHMPL-UHFFFAOYSA-N 1 1 370.446 2.493 20 5 FEBDMO COCCOCCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000276224603 330130784 /nfs/dbraw/zinc/13/07/84/330130784.db2.gz JMQGIYPTCKHMPL-UHFFFAOYSA-N 1 1 370.446 2.493 20 5 FEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000276461846 330154585 /nfs/dbraw/zinc/15/45/85/330154585.db2.gz WUYVSAXXNVVUIU-IAQYHMDHSA-N 1 1 350.371 2.092 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000276461846 330154586 /nfs/dbraw/zinc/15/45/86/330154586.db2.gz WUYVSAXXNVVUIU-IAQYHMDHSA-N 1 1 350.371 2.092 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000299697074 330199260 /nfs/dbraw/zinc/19/92/60/330199260.db2.gz OLVLWHILIAXMON-KBPBESRZSA-N 1 1 362.430 2.091 20 5 FEBDMO Cn1cc([C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000377929944 330252587 /nfs/dbraw/zinc/25/25/87/330252587.db2.gz BBCVCFHXFMVRBD-ZBFHGGJFSA-N 1 1 369.425 2.133 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000158623325 545878758 /nfs/dbraw/zinc/87/87/58/545878758.db2.gz HVZJAPLXKVPOOF-LBPRGKRZSA-N 1 1 371.434 2.371 20 5 FEBDMO O=C(c1ccccn1)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000165252782 546153224 /nfs/dbraw/zinc/15/32/24/546153224.db2.gz KEDDVTSMUSQXEV-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO O=C(c1ccccn1)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000165252782 546153227 /nfs/dbraw/zinc/15/32/27/546153227.db2.gz KEDDVTSMUSQXEV-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000480011428 561201301 /nfs/dbraw/zinc/20/13/01/561201301.db2.gz GQHCRLYCEHXFHE-SFHVURJKSA-N 1 1 359.430 2.169 20 5 FEBDMO CCOC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000176315769 546430610 /nfs/dbraw/zinc/43/06/10/546430610.db2.gz JMULHQJPIMRFOV-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000176467198 546451330 /nfs/dbraw/zinc/45/13/30/546451330.db2.gz RIZQGPNCALUFOY-ZDUSSCGKSA-N 1 1 367.833 2.433 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000480513089 561211079 /nfs/dbraw/zinc/21/10/79/561211079.db2.gz ORKKFPKQITYAMB-CQSZACIVSA-N 1 1 370.475 2.309 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000480961022 561221276 /nfs/dbraw/zinc/22/12/76/561221276.db2.gz LGQDILFGWBZGSY-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000480961022 561221277 /nfs/dbraw/zinc/22/12/77/561221277.db2.gz LGQDILFGWBZGSY-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000481125632 561225727 /nfs/dbraw/zinc/22/57/27/561225727.db2.gz KVUCXFATEQLCIF-ZDUSSCGKSA-N 1 1 362.430 2.078 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000178307653 546773138 /nfs/dbraw/zinc/77/31/38/546773138.db2.gz GJSCUXJNEYMIQI-CVEARBPZSA-N 1 1 369.425 2.337 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000481978431 561246655 /nfs/dbraw/zinc/24/66/55/561246655.db2.gz QKVRCJPTCHWEOD-LBPRGKRZSA-N 1 1 355.460 2.222 20 5 FEBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000180103853 547052597 /nfs/dbraw/zinc/05/25/97/547052597.db2.gz LSRYTQRVKXNOCN-XJKSGUPXSA-N 1 1 357.414 2.446 20 5 FEBDMO CCOc1cc(N2CC[NH+](CCC(=O)OC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000482873574 561261982 /nfs/dbraw/zinc/26/19/82/561261982.db2.gz LUZUOJKMPBJZNF-UHFFFAOYSA-N 1 1 365.430 2.457 20 5 FEBDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@@H](C)O1 ZINC000483116927 561267883 /nfs/dbraw/zinc/26/78/83/561267883.db2.gz GJWUZAIZPKSFCP-ZIAGYGMSSA-N 1 1 372.425 2.462 20 5 FEBDMO CC(C)[N@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000181573210 547339041 /nfs/dbraw/zinc/33/90/41/547339041.db2.gz QLJLTVQIEOEZMI-UHFFFAOYSA-N 1 1 365.430 2.263 20 5 FEBDMO CC(C)[N@@H+](CC(=O)NCC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000181573210 547339044 /nfs/dbraw/zinc/33/90/44/547339044.db2.gz QLJLTVQIEOEZMI-UHFFFAOYSA-N 1 1 365.430 2.263 20 5 FEBDMO C[N@@H+](CCOc1ccc(F)cc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190409 547450449 /nfs/dbraw/zinc/45/04/49/547450449.db2.gz XVVVFVFXWAOSJC-HNNXBMFYSA-N 1 1 364.373 2.484 20 5 FEBDMO Cc1c(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000483815964 561284547 /nfs/dbraw/zinc/28/45/47/561284547.db2.gz IEGDQGZTDRSCIH-UHFFFAOYSA-N 1 1 368.393 2.104 20 5 FEBDMO Cc1c(CNC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000483815964 561284548 /nfs/dbraw/zinc/28/45/48/561284548.db2.gz IEGDQGZTDRSCIH-UHFFFAOYSA-N 1 1 368.393 2.104 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H](O)CCc3ccccc3)C2)nc1 ZINC000182524623 547508225 /nfs/dbraw/zinc/50/82/25/547508225.db2.gz LNWSSGLSTMUDCD-WMZOPIPTSA-N 1 1 356.426 2.470 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182579246 547516362 /nfs/dbraw/zinc/51/63/62/547516362.db2.gz AJVQFWXRPLIBKZ-CYBMUJFWSA-N 1 1 363.414 2.421 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000182960664 547579626 /nfs/dbraw/zinc/57/96/26/547579626.db2.gz MSAUMQCBPQJKBF-AAEUAGOBSA-N 1 1 359.423 2.003 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000183254660 547627915 /nfs/dbraw/zinc/62/79/15/547627915.db2.gz YAVAPSUWJUVMHC-UHFFFAOYSA-N 1 1 360.458 2.033 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000183254660 547627920 /nfs/dbraw/zinc/62/79/20/547627920.db2.gz YAVAPSUWJUVMHC-UHFFFAOYSA-N 1 1 360.458 2.033 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000183254660 547627923 /nfs/dbraw/zinc/62/79/23/547627923.db2.gz YAVAPSUWJUVMHC-UHFFFAOYSA-N 1 1 360.458 2.033 20 5 FEBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000183264234 547629042 /nfs/dbraw/zinc/62/90/42/547629042.db2.gz DHQGMBUVHIVOKX-WMLDXEAASA-N 1 1 371.397 2.034 20 5 FEBDMO COc1cccc([C@@H]2[C@@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000183264234 547629049 /nfs/dbraw/zinc/62/90/49/547629049.db2.gz DHQGMBUVHIVOKX-WMLDXEAASA-N 1 1 371.397 2.034 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1csc([N+](=O)[O-])c1 ZINC000183404513 547651880 /nfs/dbraw/zinc/65/18/80/547651880.db2.gz MCPLBCWZHZAJDS-OAHLLOKOSA-N 1 1 361.423 2.153 20 5 FEBDMO C[C@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000184914096 547899649 /nfs/dbraw/zinc/89/96/49/547899649.db2.gz FTAFYWRLRYWXIQ-MJBXVCDLSA-N 1 1 367.421 2.453 20 5 FEBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000185889103 548053243 /nfs/dbraw/zinc/05/32/43/548053243.db2.gz NWOHGRGJZAQAFJ-UHFFFAOYSA-N 1 1 358.398 2.336 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185899970 548054704 /nfs/dbraw/zinc/05/47/04/548054704.db2.gz LCZAGHJAFLDNMR-HNNXBMFYSA-N 1 1 363.801 2.443 20 5 FEBDMO Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000186752968 548185584 /nfs/dbraw/zinc/18/55/84/548185584.db2.gz IPRBBLYBESLMCE-ZDUSSCGKSA-N 1 1 350.419 2.212 20 5 FEBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000193997160 548419139 /nfs/dbraw/zinc/41/91/39/548419139.db2.gz SHQNXZDREGGXIF-HZPDHXFCSA-N 1 1 365.386 2.255 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000194741688 548524136 /nfs/dbraw/zinc/52/41/36/548524136.db2.gz XRXJEYZDIGRRQZ-OKILXGFUSA-N 1 1 372.425 2.324 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000194741688 548524144 /nfs/dbraw/zinc/52/41/44/548524144.db2.gz XRXJEYZDIGRRQZ-OKILXGFUSA-N 1 1 372.425 2.324 20 5 FEBDMO C[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000245439954 548919823 /nfs/dbraw/zinc/91/98/23/548919823.db2.gz UBCJNIZAXKFXQY-QGZVFWFLSA-N 1 1 363.458 2.285 20 5 FEBDMO CN1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000245439954 548919825 /nfs/dbraw/zinc/91/98/25/548919825.db2.gz UBCJNIZAXKFXQY-QGZVFWFLSA-N 1 1 363.458 2.285 20 5 FEBDMO CN1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000245439954 548919829 /nfs/dbraw/zinc/91/98/29/548919829.db2.gz UBCJNIZAXKFXQY-QGZVFWFLSA-N 1 1 363.458 2.285 20 5 FEBDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000245601233 548955219 /nfs/dbraw/zinc/95/52/19/548955219.db2.gz VRJWSNUPQXQUFR-HOTGVXAUSA-N 1 1 373.384 2.099 20 5 FEBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245789684 548994271 /nfs/dbraw/zinc/99/42/71/548994271.db2.gz NNJIRRLODZIWLL-HZPDHXFCSA-N 1 1 369.425 2.445 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245840400 549001928 /nfs/dbraw/zinc/00/19/28/549001928.db2.gz CIEGBDOEMZYYAN-KKUMJFAQSA-N 1 1 364.446 2.061 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246054303 549042183 /nfs/dbraw/zinc/04/21/83/549042183.db2.gz XQGUWSZBQZVXJT-SMDDNHRTSA-N 1 1 363.443 2.203 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000246155853 549064800 /nfs/dbraw/zinc/06/48/00/549064800.db2.gz LGKKFYTUJMGATM-KBPBESRZSA-N 1 1 353.444 2.151 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246177966 549070240 /nfs/dbraw/zinc/07/02/40/549070240.db2.gz GVIAUUMTGUSRAI-IUODEOHRSA-N 1 1 350.419 2.085 20 5 FEBDMO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246223515 549082864 /nfs/dbraw/zinc/08/28/64/549082864.db2.gz ZPPGYRUFXOUIFW-CRAIPNDOSA-N 1 1 369.425 2.306 20 5 FEBDMO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246223515 549082868 /nfs/dbraw/zinc/08/28/68/549082868.db2.gz ZPPGYRUFXOUIFW-CRAIPNDOSA-N 1 1 369.425 2.306 20 5 FEBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246753051 549204467 /nfs/dbraw/zinc/20/44/67/549204467.db2.gz HAKUHPYIFJHRKE-RYUDHWBXSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000246753051 549204471 /nfs/dbraw/zinc/20/44/71/549204471.db2.gz HAKUHPYIFJHRKE-RYUDHWBXSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000247076131 549278440 /nfs/dbraw/zinc/27/84/40/549278440.db2.gz YVARICPIZZZAMI-CABCVRRESA-N 1 1 361.398 2.080 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000247210789 549300129 /nfs/dbraw/zinc/30/01/29/549300129.db2.gz WYANPQNHHCETDT-DGCLKSJQSA-N 1 1 373.862 2.353 20 5 FEBDMO COc1cc[nH+]c(N2CCN(Cc3ccc([N+](=O)[O-])c(OC)c3)CC2)c1 ZINC000489251515 561406661 /nfs/dbraw/zinc/40/66/61/561406661.db2.gz UABWSTMPGNXALO-UHFFFAOYSA-N 1 1 358.398 2.329 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000248740778 549494226 /nfs/dbraw/zinc/49/42/26/549494226.db2.gz DIMFEYNWFSOPRS-UONOGXRCSA-N 1 1 362.430 2.422 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000489602459 561415304 /nfs/dbraw/zinc/41/53/04/561415304.db2.gz JBHZOUWLSZXXEJ-ZDUSSCGKSA-N 1 1 352.460 2.312 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000249431393 549591554 /nfs/dbraw/zinc/59/15/54/549591554.db2.gz ITIWKHBXDDKQGP-KGLIPLIRSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000253358744 549683742 /nfs/dbraw/zinc/68/37/42/549683742.db2.gz RTLDUQBARJXQEQ-TZMCWYRMSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253544399 549692737 /nfs/dbraw/zinc/69/27/37/549692737.db2.gz RCXMFGWHDWOUFU-BDJLRTHQSA-N 1 1 358.398 2.261 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000490063285 561425592 /nfs/dbraw/zinc/42/55/92/561425592.db2.gz RTGHWDBDRPTHKB-QMMMGPOBSA-N 1 1 370.258 2.378 20 5 FEBDMO CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000268974380 550139271 /nfs/dbraw/zinc/13/92/71/550139271.db2.gz OLWZLNMUGRWWOH-JTQLQIEISA-N 1 1 353.400 2.089 20 5 FEBDMO CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000268974380 550139272 /nfs/dbraw/zinc/13/92/72/550139272.db2.gz OLWZLNMUGRWWOH-JTQLQIEISA-N 1 1 353.400 2.089 20 5 FEBDMO CCOc1cc(CN2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492583453 561451997 /nfs/dbraw/zinc/45/19/97/561451997.db2.gz OUUYMCAMKQPOID-AWEZNQCLSA-N 1 1 365.430 2.063 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147484 550160629 /nfs/dbraw/zinc/16/06/29/550160629.db2.gz QBLHMMYQYJMXBQ-AAEUAGOBSA-N 1 1 373.862 2.353 20 5 FEBDMO C[NH+](C)CCOc1cccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000269179956 550164625 /nfs/dbraw/zinc/16/46/25/550164625.db2.gz KXUADQIXEBBCBE-UHFFFAOYSA-N 1 1 359.382 2.171 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N=c2cc[nH]c3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000493037307 561454200 /nfs/dbraw/zinc/45/42/00/561454200.db2.gz XYKYYFQVUYPKKH-UHFFFAOYSA-N 1 1 358.379 2.378 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)n1C ZINC000269534367 550204450 /nfs/dbraw/zinc/20/44/50/550204450.db2.gz IBBHZJKNKVCZLO-UHFFFAOYSA-N 1 1 371.319 2.343 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270361012 550265197 /nfs/dbraw/zinc/26/51/97/550265197.db2.gz IYRXGQUOBZSBBG-UHFFFAOYSA-N 1 1 363.458 2.178 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(CCC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000271153950 550346168 /nfs/dbraw/zinc/34/61/68/550346168.db2.gz IXVKJXSVLNBCHH-CYBMUJFWSA-N 1 1 362.430 2.208 20 5 FEBDMO COc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000271622860 550390689 /nfs/dbraw/zinc/39/06/89/550390689.db2.gz FKLKHTZMQXVULS-UHFFFAOYSA-N 1 1 350.463 2.061 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC000272177245 550427543 /nfs/dbraw/zinc/42/75/43/550427543.db2.gz JNODGUPJOCATIK-KDOFPFPSSA-N 1 1 358.442 2.361 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497585 550452996 /nfs/dbraw/zinc/45/29/96/550452996.db2.gz GHPSLKJQRPMXPD-FSPWUOQZSA-N 1 1 355.442 2.490 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H]2C1 ZINC000272550203 550457397 /nfs/dbraw/zinc/45/73/97/550457397.db2.gz CYJCTYSUUQNRHX-HNAYVOBHSA-N 1 1 372.469 2.364 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272698255 550465640 /nfs/dbraw/zinc/46/56/40/550465640.db2.gz YEYNZGRDEPRWBH-KBXCAEBGSA-N 1 1 358.442 2.361 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000272735892 550467938 /nfs/dbraw/zinc/46/79/38/550467938.db2.gz CGDXAIKQEHMPIC-GFCCVEGCSA-N 1 1 361.398 2.152 20 5 FEBDMO CCc1nn(C)c(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000273266039 550492104 /nfs/dbraw/zinc/49/21/04/550492104.db2.gz WIICZLKPJZEKQV-OAHLLOKOSA-N 1 1 359.430 2.069 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273458228 550499221 /nfs/dbraw/zinc/49/92/21/550499221.db2.gz HTFROYXOTVYTSV-ZDUSSCGKSA-N 1 1 370.475 2.022 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])cn3)C2)cc(OC)c1 ZINC000273953152 550517081 /nfs/dbraw/zinc/51/70/81/550517081.db2.gz MZQKVJORDLLMEK-CYBMUJFWSA-N 1 1 359.386 2.088 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 ZINC000277286839 550651991 /nfs/dbraw/zinc/65/19/91/550651991.db2.gz SOXWVDFZWHIVKB-UHFFFAOYSA-N 1 1 364.402 2.249 20 5 FEBDMO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278191881 550759308 /nfs/dbraw/zinc/75/93/08/550759308.db2.gz OWRBSLRAWDRLKQ-OAHLLOKOSA-N 1 1 356.382 2.042 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000278601250 550803186 /nfs/dbraw/zinc/80/31/86/550803186.db2.gz FHEFRRPRWVWIKP-UHFFFAOYSA-N 1 1 354.382 2.308 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000278601250 550803187 /nfs/dbraw/zinc/80/31/87/550803187.db2.gz FHEFRRPRWVWIKP-UHFFFAOYSA-N 1 1 354.382 2.308 20 5 FEBDMO COc1ccc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000278792385 550822583 /nfs/dbraw/zinc/82/25/83/550822583.db2.gz MHNNRZFHFQRBAQ-BETUJISGSA-N 1 1 366.418 2.176 20 5 FEBDMO COc1ccc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000278792385 550822585 /nfs/dbraw/zinc/82/25/85/550822585.db2.gz MHNNRZFHFQRBAQ-BETUJISGSA-N 1 1 366.418 2.176 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000279265034 550871512 /nfs/dbraw/zinc/87/15/12/550871512.db2.gz YAFUWCPUQDEHLV-CYBMUJFWSA-N 1 1 372.425 2.401 20 5 FEBDMO CN(C(=O)C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000280320281 550980414 /nfs/dbraw/zinc/98/04/14/550980414.db2.gz GZILQLYSCMDKOQ-KRWDZBQOSA-N 1 1 370.409 2.106 20 5 FEBDMO CN(C(=O)C[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000280320281 550980415 /nfs/dbraw/zinc/98/04/15/550980415.db2.gz GZILQLYSCMDKOQ-KRWDZBQOSA-N 1 1 370.409 2.106 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280355261 550984237 /nfs/dbraw/zinc/98/42/37/550984237.db2.gz JJPZAFVWYWDYEC-FZKQIMNGSA-N 1 1 363.414 2.112 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000496261026 561493238 /nfs/dbraw/zinc/49/32/38/561493238.db2.gz HBIMUZITMNQOFK-OAHLLOKOSA-N 1 1 357.414 2.445 20 5 FEBDMO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281010083 551054734 /nfs/dbraw/zinc/05/47/34/551054734.db2.gz OOTOEAXCRBUESK-QGZVFWFLSA-N 1 1 374.441 2.447 20 5 FEBDMO Cc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000281016822 551055240 /nfs/dbraw/zinc/05/52/40/551055240.db2.gz RQRMCQLTNBNZHZ-UHFFFAOYSA-N 1 1 365.397 2.410 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000281038072 551057101 /nfs/dbraw/zinc/05/71/01/551057101.db2.gz VDXDYNYTMRBNGI-RYUDHWBXSA-N 1 1 366.418 2.076 20 5 FEBDMO CCOc1ccccc1C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000281655183 551126452 /nfs/dbraw/zinc/12/64/52/551126452.db2.gz NYYMILGAODMKHV-AWEZNQCLSA-N 1 1 357.414 2.494 20 5 FEBDMO CCOc1ccccc1C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000281655183 551126454 /nfs/dbraw/zinc/12/64/54/551126454.db2.gz NYYMILGAODMKHV-AWEZNQCLSA-N 1 1 357.414 2.494 20 5 FEBDMO Cc1c(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000281985023 551165813 /nfs/dbraw/zinc/16/58/13/551165813.db2.gz CEWAQLOEVQFUFA-UHFFFAOYSA-N 1 1 367.471 2.293 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CC1(O)CCOCC1)CC2 ZINC000284859578 551652295 /nfs/dbraw/zinc/65/22/95/551652295.db2.gz RZLYOUGEGOUSFI-UHFFFAOYSA-N 1 1 371.231 2.257 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CC1(O)CCOCC1)CC2 ZINC000284859578 551652297 /nfs/dbraw/zinc/65/22/97/551652297.db2.gz RZLYOUGEGOUSFI-UHFFFAOYSA-N 1 1 371.231 2.257 20 5 FEBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285417459 551753110 /nfs/dbraw/zinc/75/31/10/551753110.db2.gz BRNMXFJRMWULDT-JYJNAYRXSA-N 1 1 352.431 2.350 20 5 FEBDMO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285508408 551767425 /nfs/dbraw/zinc/76/74/25/551767425.db2.gz NUOBKRLAFGDXCM-JKSUJKDBSA-N 1 1 351.403 2.181 20 5 FEBDMO CCOC1CC2(C1)CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000285560396 551774688 /nfs/dbraw/zinc/77/46/88/551774688.db2.gz SMZIIYJGWGCNSH-FAEJEUNOSA-N 1 1 350.415 2.226 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287224038 551978054 /nfs/dbraw/zinc/97/80/54/551978054.db2.gz FQLUKKHBQDVSJD-HNNXBMFYSA-N 1 1 374.441 2.176 20 5 FEBDMO CCC[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723516 552200868 /nfs/dbraw/zinc/20/08/68/552200868.db2.gz GALNQQRANQOJQV-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO CCC[C@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723516 552200870 /nfs/dbraw/zinc/20/08/70/552200870.db2.gz GALNQQRANQOJQV-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO COCCOCC[N@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000289018704 552253230 /nfs/dbraw/zinc/25/32/30/552253230.db2.gz NUMNYYXCSLHAIO-UHFFFAOYSA-N 1 1 364.345 2.300 20 5 FEBDMO COCCOCC[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000289018704 552253232 /nfs/dbraw/zinc/25/32/32/552253232.db2.gz NUMNYYXCSLHAIO-UHFFFAOYSA-N 1 1 364.345 2.300 20 5 FEBDMO COCCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000289087089 552263955 /nfs/dbraw/zinc/26/39/55/552263955.db2.gz UCTKQYODVJPJPO-NSHDSACASA-N 1 1 359.810 2.170 20 5 FEBDMO COCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000289087089 552263956 /nfs/dbraw/zinc/26/39/56/552263956.db2.gz UCTKQYODVJPJPO-NSHDSACASA-N 1 1 359.810 2.170 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289771066 552375971 /nfs/dbraw/zinc/37/59/71/552375971.db2.gz GLBLNMGPVFLCPY-CABCVRRESA-N 1 1 366.805 2.131 20 5 FEBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C[NH+]1CCOCC1 ZINC000289847138 552388252 /nfs/dbraw/zinc/38/82/52/552388252.db2.gz XRMBDJMHXXKEFR-LLVKDONJSA-N 1 1 356.810 2.338 20 5 FEBDMO COC(=O)c1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)n(C)c1C ZINC000290996350 552573769 /nfs/dbraw/zinc/57/37/69/552573769.db2.gz AYHKANJGZDXOIM-UHFFFAOYSA-N 1 1 357.370 2.194 20 5 FEBDMO COc1cc(C[NH2+]Cc2cncn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000291519371 552633253 /nfs/dbraw/zinc/63/32/53/552633253.db2.gz IYDZMZXKDXVTFI-UHFFFAOYSA-N 1 1 356.329 2.271 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291666460 552648922 /nfs/dbraw/zinc/64/89/22/552648922.db2.gz GBOOMNSKFSMZIF-ZDUSSCGKSA-N 1 1 359.386 2.076 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C(C)C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000291678385 552650314 /nfs/dbraw/zinc/65/03/14/552650314.db2.gz GTNMQZYBRAMBMM-CYBMUJFWSA-N 1 1 351.403 2.431 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C(C)C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000291678385 552650315 /nfs/dbraw/zinc/65/03/15/552650315.db2.gz GTNMQZYBRAMBMM-CYBMUJFWSA-N 1 1 351.403 2.431 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000291714044 552654303 /nfs/dbraw/zinc/65/43/03/552654303.db2.gz ZECRLDLMTYJDHR-GFCCVEGCSA-N 1 1 362.434 2.391 20 5 FEBDMO CN(C(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291889567 552671961 /nfs/dbraw/zinc/67/19/61/552671961.db2.gz QPZOEGMSSHQWGC-HXUWFJFHSA-N 1 1 369.421 2.194 20 5 FEBDMO CN(C(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291889567 552671962 /nfs/dbraw/zinc/67/19/62/552671962.db2.gz QPZOEGMSSHQWGC-HXUWFJFHSA-N 1 1 369.421 2.194 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000291984701 552681594 /nfs/dbraw/zinc/68/15/94/552681594.db2.gz ZJDNHJRMHPMQHH-IUODEOHRSA-N 1 1 357.414 2.273 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@H](O)C12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000292782314 552757902 /nfs/dbraw/zinc/75/79/02/552757902.db2.gz QARUJRDRQIOKQW-HNNXBMFYSA-N 1 1 351.378 2.442 20 5 FEBDMO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986291 552777607 /nfs/dbraw/zinc/77/76/07/552777607.db2.gz NNJWTRQRPXPLAL-SFHVURJKSA-N 1 1 364.421 2.480 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986291 552777608 /nfs/dbraw/zinc/77/76/08/552777608.db2.gz NNJWTRQRPXPLAL-SFHVURJKSA-N 1 1 364.421 2.480 20 5 FEBDMO CN1CCC[C@]2(CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986291 552777609 /nfs/dbraw/zinc/77/76/09/552777609.db2.gz NNJWTRQRPXPLAL-SFHVURJKSA-N 1 1 364.421 2.480 20 5 FEBDMO CN1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986291 552777610 /nfs/dbraw/zinc/77/76/10/552777610.db2.gz NNJWTRQRPXPLAL-SFHVURJKSA-N 1 1 364.421 2.480 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293069361 552785656 /nfs/dbraw/zinc/78/56/56/552785656.db2.gz IXOQOVZRMVMFRF-INIZCTEOSA-N 1 1 360.458 2.227 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)[C@H]2C1 ZINC000293806306 552857917 /nfs/dbraw/zinc/85/79/17/552857917.db2.gz DTZQASLOJQUFIX-GOEBONIOSA-N 1 1 359.382 2.276 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC000294327091 552897560 /nfs/dbraw/zinc/89/75/60/552897560.db2.gz XGXFZIXHPFKLIX-SFHVURJKSA-N 1 1 363.414 2.170 20 5 FEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000295215475 552970589 /nfs/dbraw/zinc/97/05/89/552970589.db2.gz MBTQVNVEOYBIDS-CYBMUJFWSA-N 1 1 360.183 2.131 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295440162 553007063 /nfs/dbraw/zinc/00/70/63/553007063.db2.gz JWNPJFMSURGOLO-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CN(CCCN(C)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000295440162 553007064 /nfs/dbraw/zinc/00/70/64/553007064.db2.gz JWNPJFMSURGOLO-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NCCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000295458018 553009882 /nfs/dbraw/zinc/00/98/82/553009882.db2.gz LAHJQVJYCZSCBR-UHFFFAOYSA-N 1 1 356.854 2.170 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NCCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000295458018 553009884 /nfs/dbraw/zinc/00/98/84/553009884.db2.gz LAHJQVJYCZSCBR-UHFFFAOYSA-N 1 1 356.854 2.170 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295482907 553014108 /nfs/dbraw/zinc/01/41/08/553014108.db2.gz ODTHMIJJWIKPJG-KGLIPLIRSA-N 1 1 367.471 2.038 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000296352704 553146249 /nfs/dbraw/zinc/14/62/49/553146249.db2.gz RUASWKRQNMFUNN-UHFFFAOYSA-N 1 1 368.865 2.312 20 5 FEBDMO COC[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296758728 553207883 /nfs/dbraw/zinc/20/78/83/553207883.db2.gz PDKWUUCXAVTOHG-YVEFUNNKSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296758728 553207885 /nfs/dbraw/zinc/20/78/85/553207885.db2.gz PDKWUUCXAVTOHG-YVEFUNNKSA-N 1 1 351.403 2.289 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000296888889 553225815 /nfs/dbraw/zinc/22/58/15/553225815.db2.gz VHQJJPVVEBCURF-LBPRGKRZSA-N 1 1 355.822 2.479 20 5 FEBDMO Cc1cc(F)c(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000296933578 553231656 /nfs/dbraw/zinc/23/16/56/553231656.db2.gz ZZJUPMSMWFTSOS-NSHDSACASA-N 1 1 354.382 2.132 20 5 FEBDMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000297947003 553360958 /nfs/dbraw/zinc/36/09/58/553360958.db2.gz SLEJEELIYRQMCK-UHFFFAOYSA-N 1 1 356.810 2.033 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000298384308 553419084 /nfs/dbraw/zinc/41/90/84/553419084.db2.gz FCQZFRAZKCKNAI-QGZVFWFLSA-N 1 1 363.462 2.297 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000299252178 553537116 /nfs/dbraw/zinc/53/71/16/553537116.db2.gz HBMHPJXRGLGBRH-UHFFFAOYSA-N 1 1 371.441 2.143 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000299628313 553591797 /nfs/dbraw/zinc/59/17/97/553591797.db2.gz JUPMLVUACFBHNA-GOEBONIOSA-N 1 1 374.441 2.093 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000299628324 553591848 /nfs/dbraw/zinc/59/18/48/553591848.db2.gz JUPMLVUACFBHNA-ZBFHGGJFSA-N 1 1 374.441 2.093 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000301113662 553622950 /nfs/dbraw/zinc/62/29/50/553622950.db2.gz PAQBBBODHBHKTP-UHFFFAOYSA-N 1 1 361.446 2.181 20 5 FEBDMO COc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)ccc1[N+](=O)[O-] ZINC000301351786 553644523 /nfs/dbraw/zinc/64/45/23/553644523.db2.gz KGFASSOYSYUWLB-INIZCTEOSA-N 1 1 353.444 2.223 20 5 FEBDMO Cc1nn(C)c(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000301549008 553660164 /nfs/dbraw/zinc/66/01/64/553660164.db2.gz LTGIAMPOSYJJSX-OKILXGFUSA-N 1 1 365.478 2.352 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572233 553662289 /nfs/dbraw/zinc/66/22/89/553662289.db2.gz LETMUGXUWSEPBU-DYVFJYSZSA-N 1 1 369.425 2.411 20 5 FEBDMO Nc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301712739 553673565 /nfs/dbraw/zinc/67/35/65/553673565.db2.gz LJXLLOPJESZYCY-HZPDHXFCSA-N 1 1 368.441 2.458 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c(Br)c1 ZINC000301847971 553685203 /nfs/dbraw/zinc/68/52/03/553685203.db2.gz CENIOLGHDBPABY-JQWIXIFHSA-N 1 1 371.235 2.418 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c(Br)c1 ZINC000301847971 553685204 /nfs/dbraw/zinc/68/52/04/553685204.db2.gz CENIOLGHDBPABY-JQWIXIFHSA-N 1 1 371.235 2.418 20 5 FEBDMO CS(=O)(=O)c1cccc(N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000301880394 553687901 /nfs/dbraw/zinc/68/79/01/553687901.db2.gz JYEPAHZEPHDSIL-UHFFFAOYSA-N 1 1 367.471 2.453 20 5 FEBDMO Cc1cc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000302479488 553718024 /nfs/dbraw/zinc/71/80/24/553718024.db2.gz WBCNQUMEMLZYLC-IBGZPJMESA-N 1 1 356.426 2.371 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCCc1cn2c([nH+]1)CCCC2 ZINC000302604135 553723061 /nfs/dbraw/zinc/72/30/61/553723061.db2.gz CTKBRVCBKFTMIQ-UHFFFAOYSA-N 1 1 364.427 2.186 20 5 FEBDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000505485832 561672029 /nfs/dbraw/zinc/67/20/29/561672029.db2.gz FTJITOAKVZXSBG-HNNXBMFYSA-N 1 1 360.414 2.362 20 5 FEBDMO COC(=O)CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000327246979 553787230 /nfs/dbraw/zinc/78/72/30/553787230.db2.gz RXNVMQVWOAXIJM-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000330604476 554144632 /nfs/dbraw/zinc/14/46/32/554144632.db2.gz IWDRCPPHCUPMLS-NWDGAFQWSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000330604476 554144634 /nfs/dbraw/zinc/14/46/34/554144634.db2.gz IWDRCPPHCUPMLS-NWDGAFQWSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC000331039882 554205113 /nfs/dbraw/zinc/20/51/13/554205113.db2.gz CLCNTAMSWAKIIP-AWEZNQCLSA-N 1 1 355.460 2.363 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000331279000 554240754 /nfs/dbraw/zinc/24/07/54/554240754.db2.gz JVZCIUVUIKOWBR-UHFFFAOYSA-N 1 1 355.460 2.136 20 5 FEBDMO CC(C)(C)[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000332248976 554409653 /nfs/dbraw/zinc/40/96/53/554409653.db2.gz BFHGNMISGLZBPZ-RDJZCZTQSA-N 1 1 361.442 2.213 20 5 FEBDMO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000332248976 554409656 /nfs/dbraw/zinc/40/96/56/554409656.db2.gz BFHGNMISGLZBPZ-RDJZCZTQSA-N 1 1 361.442 2.213 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000332428778 554445154 /nfs/dbraw/zinc/44/51/54/554445154.db2.gz CYRMJNCWUYJCBJ-UHFFFAOYSA-N 1 1 364.427 2.434 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000332451402 554448496 /nfs/dbraw/zinc/44/84/96/554448496.db2.gz MVWYBGHHRSAKSF-UHFFFAOYSA-N 1 1 367.471 2.461 20 5 FEBDMO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332589461 554477588 /nfs/dbraw/zinc/47/75/88/554477588.db2.gz MSORCXGCRCYEBT-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000363357962 555085309 /nfs/dbraw/zinc/08/53/09/555085309.db2.gz YHSDVMKYHXULSP-ZDUSSCGKSA-N 1 1 359.434 2.026 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000363357962 555085310 /nfs/dbraw/zinc/08/53/10/555085310.db2.gz YHSDVMKYHXULSP-ZDUSSCGKSA-N 1 1 359.434 2.026 20 5 FEBDMO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNc1ccc([N+](=O)[O-])cc1 ZINC000364298603 555286996 /nfs/dbraw/zinc/28/69/96/555286996.db2.gz GXKLELSVVKMJBR-UHFFFAOYSA-N 1 1 358.446 2.391 20 5 FEBDMO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000364341603 555295007 /nfs/dbraw/zinc/29/50/07/555295007.db2.gz UKMCXWHZFHGRDF-CABCVRRESA-N 1 1 351.451 2.462 20 5 FEBDMO CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000364341603 555295008 /nfs/dbraw/zinc/29/50/08/555295008.db2.gz UKMCXWHZFHGRDF-CABCVRRESA-N 1 1 351.451 2.462 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365221789 555514942 /nfs/dbraw/zinc/51/49/42/555514942.db2.gz HRYCYTXTZIRVLG-RYUDHWBXSA-N 1 1 356.382 2.205 20 5 FEBDMO CCCc1[nH]nc(C(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000365301634 555536629 /nfs/dbraw/zinc/53/66/29/555536629.db2.gz WUMHWNXDDLHVGB-UHFFFAOYSA-N 1 1 372.429 2.406 20 5 FEBDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000513255377 561931160 /nfs/dbraw/zinc/93/11/60/561931160.db2.gz GGXHBOFFHIEHOK-GHMZBOCLSA-N 1 1 353.325 2.359 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365621445 555624678 /nfs/dbraw/zinc/62/46/78/555624678.db2.gz DPZOFCSTPCOTDT-ZDUSSCGKSA-N 1 1 373.413 2.155 20 5 FEBDMO O=[N+]([O-])c1ccc(CN2CCC[N@H+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000365792253 555668369 /nfs/dbraw/zinc/66/83/69/555668369.db2.gz BEKUTUODMXSAFU-UHFFFAOYSA-N 1 1 364.402 2.190 20 5 FEBDMO COc1cc[nH+]c(N2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)c1 ZINC000513420503 561937548 /nfs/dbraw/zinc/93/75/48/561937548.db2.gz OSVZPRLGZNRYND-UHFFFAOYSA-N 1 1 358.398 2.329 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(c4nnc[nH]4)CC3)o2)cc1 ZINC000365920627 555701312 /nfs/dbraw/zinc/70/13/12/555701312.db2.gz SJCXBXOEICDHEE-UHFFFAOYSA-N 1 1 355.358 2.143 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513912625 561954329 /nfs/dbraw/zinc/95/43/29/561954329.db2.gz FVXVVGLDKRRRIK-MRXNPFEDSA-N 1 1 371.441 2.359 20 5 FEBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000514045417 561958691 /nfs/dbraw/zinc/95/86/91/561958691.db2.gz AIMYEDXXSBFRAW-CQSZACIVSA-N 1 1 372.425 2.261 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000366777990 555931426 /nfs/dbraw/zinc/93/14/26/555931426.db2.gz BFYTXDNLJGZCLK-UKPHBRMFSA-N 1 1 366.414 2.251 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000366777990 555931427 /nfs/dbraw/zinc/93/14/27/555931427.db2.gz BFYTXDNLJGZCLK-UKPHBRMFSA-N 1 1 366.414 2.251 20 5 FEBDMO Nc1nccc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366990254 555990701 /nfs/dbraw/zinc/99/07/01/555990701.db2.gz SHSBAWACZDMZBR-CYBMUJFWSA-N 1 1 370.413 2.175 20 5 FEBDMO Cc1c([C@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000367332857 556020729 /nfs/dbraw/zinc/02/07/29/556020729.db2.gz JUVSWTURYIUUMT-MAUKXSAKSA-N 1 1 360.414 2.214 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)CCO1 ZINC000367496073 556066452 /nfs/dbraw/zinc/06/64/52/556066452.db2.gz BPXIXUZKDCAANR-NSHDSACASA-N 1 1 363.443 2.289 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000367548542 556079797 /nfs/dbraw/zinc/07/97/97/556079797.db2.gz CQAFNJXFRAAVQL-IAQYHMDHSA-N 1 1 363.443 2.203 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000368389380 556294629 /nfs/dbraw/zinc/29/46/29/556294629.db2.gz WHFXOSNCIFPUPG-AWEZNQCLSA-N 1 1 352.822 2.167 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000368964548 556460599 /nfs/dbraw/zinc/46/05/99/556460599.db2.gz GLXMHBGNIQKJER-RDJZCZTQSA-N 1 1 363.458 2.079 20 5 FEBDMO Cn1c2ccc(NC[C@@H](O)Cn3cc([N+](=O)[O-])cn3)cc2[nH+]c1C(C)(C)C ZINC000515833811 562023067 /nfs/dbraw/zinc/02/30/67/562023067.db2.gz VIAAJXJWHLOLHJ-CQSZACIVSA-N 1 1 372.429 2.449 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000369573315 556635567 /nfs/dbraw/zinc/63/55/67/556635567.db2.gz KPLTURRCWDJFQX-BLLLJJGKSA-N 1 1 363.443 2.052 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721390 556677966 /nfs/dbraw/zinc/67/79/66/556677966.db2.gz DQPXCONIIGYFBU-FVQBIDKESA-N 1 1 373.457 2.450 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000370537771 556902815 /nfs/dbraw/zinc/90/28/15/556902815.db2.gz GZYDFNYVCAWABU-UHFFFAOYSA-N 1 1 358.373 2.477 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000370537771 556902817 /nfs/dbraw/zinc/90/28/17/556902817.db2.gz GZYDFNYVCAWABU-UHFFFAOYSA-N 1 1 358.373 2.477 20 5 FEBDMO Cc1c(CC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000370817946 556977687 /nfs/dbraw/zinc/97/76/87/556977687.db2.gz ZKUBKNNACNJNBP-SJLPKXTDSA-N 1 1 361.442 2.205 20 5 FEBDMO Cc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000370819169 556978764 /nfs/dbraw/zinc/97/87/64/556978764.db2.gz JHCARHHVTLFGRP-MRXNPFEDSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1cccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000370819169 556978767 /nfs/dbraw/zinc/97/87/67/556978767.db2.gz JHCARHHVTLFGRP-MRXNPFEDSA-N 1 1 360.458 2.144 20 5 FEBDMO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370820513 556979233 /nfs/dbraw/zinc/97/92/33/556979233.db2.gz PKOIUHISEQSJSK-LKGOPFMKSA-N 1 1 372.469 2.235 20 5 FEBDMO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370820513 556979236 /nfs/dbraw/zinc/97/92/36/556979236.db2.gz PKOIUHISEQSJSK-LKGOPFMKSA-N 1 1 372.469 2.235 20 5 FEBDMO Cc1cnn([C@@H]2CC[N@@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000516999391 562070225 /nfs/dbraw/zinc/07/02/25/562070225.db2.gz PSVCVFCQUVFDRU-OAHLLOKOSA-N 1 1 371.397 2.345 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000517707901 562095793 /nfs/dbraw/zinc/09/57/93/562095793.db2.gz WSXUBCQIIXUUAJ-GFCCVEGCSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000517707901 562095794 /nfs/dbraw/zinc/09/57/94/562095794.db2.gz WSXUBCQIIXUUAJ-GFCCVEGCSA-N 1 1 373.862 2.414 20 5 FEBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371533082 557212359 /nfs/dbraw/zinc/21/23/59/557212359.db2.gz DDBSQRBRMYHZLZ-OUCADQQQSA-N 1 1 373.438 2.156 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000371784124 557292514 /nfs/dbraw/zinc/29/25/14/557292514.db2.gz PPTOWROCYBPFHC-VOKWIDLSSA-N 1 1 359.426 2.368 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000371784124 557292515 /nfs/dbraw/zinc/29/25/15/557292515.db2.gz PPTOWROCYBPFHC-VOKWIDLSSA-N 1 1 359.426 2.368 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(c4nnc[nH]4)CC3)n2)cc1 ZINC000371917194 557329201 /nfs/dbraw/zinc/32/92/01/557329201.db2.gz ARFHAGGNEUMYHJ-UHFFFAOYSA-N 1 1 355.358 2.143 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000371960213 557340153 /nfs/dbraw/zinc/34/01/53/557340153.db2.gz NQMNHISKZVBSJE-AWEZNQCLSA-N 1 1 367.471 2.373 20 5 FEBDMO CC(C)OC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372128843 557387361 /nfs/dbraw/zinc/38/73/61/557387361.db2.gz PVPAHTBZECEDIX-MRXNPFEDSA-N 1 1 351.403 2.049 20 5 FEBDMO CC(C)OC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372128843 557387363 /nfs/dbraw/zinc/38/73/63/557387363.db2.gz PVPAHTBZECEDIX-MRXNPFEDSA-N 1 1 351.403 2.049 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000372558141 557504603 /nfs/dbraw/zinc/50/46/03/557504603.db2.gz RINQHSXJNNTAEV-AUUYWEPGSA-N 1 1 374.441 2.175 20 5 FEBDMO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000372742536 557551817 /nfs/dbraw/zinc/55/18/17/557551817.db2.gz QAOMHQZKSJXPLV-ZDUSSCGKSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000372742536 557551818 /nfs/dbraw/zinc/55/18/18/557551818.db2.gz QAOMHQZKSJXPLV-ZDUSSCGKSA-N 1 1 365.411 2.108 20 5 FEBDMO C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000373400641 557687132 /nfs/dbraw/zinc/68/71/32/557687132.db2.gz YUPJNEKGVCOFOR-RHSMWYFYSA-N 1 1 357.414 2.111 20 5 FEBDMO C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000373400641 557687134 /nfs/dbraw/zinc/68/71/34/557687134.db2.gz YUPJNEKGVCOFOR-RHSMWYFYSA-N 1 1 357.414 2.111 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520377924 562154974 /nfs/dbraw/zinc/15/49/74/562154974.db2.gz WEBJCXKUAQPVGR-OAHLLOKOSA-N 1 1 350.419 2.147 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000373747249 557750648 /nfs/dbraw/zinc/75/06/48/557750648.db2.gz TZFKXOZGEJQTDU-AWEZNQCLSA-N 1 1 350.419 2.132 20 5 FEBDMO C[C@@]1(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)NC(=O)NC1=O ZINC000374214615 557844576 /nfs/dbraw/zinc/84/45/76/557844576.db2.gz YNPVKEFNSOIJSB-INIZCTEOSA-N 1 1 366.805 2.058 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000555865937 674379383 /nfs/dbraw/zinc/37/93/83/674379383.db2.gz AZAGYAPZEXEIPF-JTQLQIEISA-N 1 1 356.220 2.490 20 5 FEBDMO O=C1[C@H]([N@H+]2CC[C@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366432 557872624 /nfs/dbraw/zinc/87/26/24/557872624.db2.gz NUBWWCLGPASVNM-MAUKXSAKSA-N 1 1 359.426 2.449 20 5 FEBDMO CSc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000375331669 558010339 /nfs/dbraw/zinc/01/03/39/558010339.db2.gz IXMLKWCRQURBFO-CHWSQXEVSA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1cccc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000375331669 558010340 /nfs/dbraw/zinc/01/03/40/558010340.db2.gz IXMLKWCRQURBFO-CHWSQXEVSA-N 1 1 365.455 2.300 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375385495 558018545 /nfs/dbraw/zinc/01/85/45/558018545.db2.gz YTSCZYJEWYEMBK-VXGBXAGGSA-N 1 1 361.320 2.089 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375385495 558018546 /nfs/dbraw/zinc/01/85/46/558018546.db2.gz YTSCZYJEWYEMBK-VXGBXAGGSA-N 1 1 361.320 2.089 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C1 ZINC000375523045 558042601 /nfs/dbraw/zinc/04/26/01/558042601.db2.gz WEEDUVDPABYAQI-LBPRGKRZSA-N 1 1 373.379 2.225 20 5 FEBDMO CCc1nc(CN2C[C@@H]3C[NH+](Cc4csc([N+](=O)[O-])c4)C[C@H]3C2)no1 ZINC000377439839 558341204 /nfs/dbraw/zinc/34/12/04/558341204.db2.gz PCAOQTFDNGAFQB-STQMWFEESA-N 1 1 363.443 2.166 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000522136829 562192206 /nfs/dbraw/zinc/19/22/06/562192206.db2.gz UFVVPVAMSTUSFZ-ZDUSSCGKSA-N 1 1 351.451 2.117 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000377647840 558386166 /nfs/dbraw/zinc/38/61/66/558386166.db2.gz TZEUVKCLQGMQSK-GOSISDBHSA-N 1 1 365.430 2.272 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535188 562199536 /nfs/dbraw/zinc/19/95/36/562199536.db2.gz VBLJIABGXCLCQW-QWHCGFSZSA-N 1 1 351.451 2.177 20 5 FEBDMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000378246535 558510870 /nfs/dbraw/zinc/51/08/70/558510870.db2.gz ICTHVZGOWKPJDL-MSOLQXFVSA-N 1 1 359.430 2.391 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000523757286 562219222 /nfs/dbraw/zinc/21/92/22/562219222.db2.gz BMMWXUPQGKQRQC-OKILXGFUSA-N 1 1 355.460 2.444 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000396479967 558623261 /nfs/dbraw/zinc/62/32/61/558623261.db2.gz KRUAJFICRSJPLO-CQSZACIVSA-N 1 1 370.409 2.487 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000396479967 558623262 /nfs/dbraw/zinc/62/32/62/558623262.db2.gz KRUAJFICRSJPLO-CQSZACIVSA-N 1 1 370.409 2.487 20 5 FEBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183026 558654638 /nfs/dbraw/zinc/65/46/38/558654638.db2.gz OUYAGVXAVZMZCE-YOEHRIQHSA-N 1 1 358.442 2.043 20 5 FEBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182444 558654719 /nfs/dbraw/zinc/65/47/19/558654719.db2.gz KRVWHBQBBWHGCU-WMLDXEAASA-N 1 1 358.442 2.043 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000411408930 558889595 /nfs/dbraw/zinc/88/95/95/558889595.db2.gz PATYWASSCDFIRV-KGLIPLIRSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000411408930 558889597 /nfs/dbraw/zinc/88/95/97/558889597.db2.gz PATYWASSCDFIRV-KGLIPLIRSA-N 1 1 362.430 2.091 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411694967 558945762 /nfs/dbraw/zinc/94/57/62/558945762.db2.gz OMHXNQXDAIFTAO-AWEZNQCLSA-N 1 1 367.471 2.464 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411694967 558945764 /nfs/dbraw/zinc/94/57/64/558945764.db2.gz OMHXNQXDAIFTAO-AWEZNQCLSA-N 1 1 367.471 2.464 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411943296 558992679 /nfs/dbraw/zinc/99/26/79/558992679.db2.gz QGZYFVNKTYJJGS-SNVBAGLBSA-N 1 1 373.356 2.115 20 5 FEBDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000411958679 558995401 /nfs/dbraw/zinc/99/54/01/558995401.db2.gz CIOKIRDGKPAGFF-LJQANCHMSA-N 1 1 365.393 2.100 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000411976342 558998231 /nfs/dbraw/zinc/99/82/31/558998231.db2.gz CZTCKZKPFZIYLA-QZTJIDSGSA-N 1 1 356.426 2.422 20 5 FEBDMO COc1cc(C[N@H+](C)C(C)(C)CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000412092749 559012553 /nfs/dbraw/zinc/01/25/53/559012553.db2.gz IHQZKKGBCWJJRP-UHFFFAOYSA-N 1 1 355.410 2.285 20 5 FEBDMO COc1cc(C[N@@H+](C)C(C)(C)CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000412092749 559012554 /nfs/dbraw/zinc/01/25/54/559012554.db2.gz IHQZKKGBCWJJRP-UHFFFAOYSA-N 1 1 355.410 2.285 20 5 FEBDMO COc1cc(CN(C)C(C)(C)C[NH+]2CCOCC2)c([N+](=O)[O-])cc1F ZINC000412092749 559012555 /nfs/dbraw/zinc/01/25/55/559012555.db2.gz IHQZKKGBCWJJRP-UHFFFAOYSA-N 1 1 355.410 2.285 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1F ZINC000412186461 559018978 /nfs/dbraw/zinc/01/89/78/559018978.db2.gz SCFFZJLZGGYJEP-WCQYABFASA-N 1 1 353.394 2.130 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412210490 559020248 /nfs/dbraw/zinc/02/02/48/559020248.db2.gz DNLYDVBOJKVEEL-FGTMMUONSA-N 1 1 361.442 2.051 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000413189637 559087142 /nfs/dbraw/zinc/08/71/42/559087142.db2.gz CHTHJZOOSLBUDC-YOEHRIQHSA-N 1 1 360.389 2.424 20 5 FEBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000413537495 559115072 /nfs/dbraw/zinc/11/50/72/559115072.db2.gz RUVBWZSFCKHMHJ-SJLPKXTDSA-N 1 1 356.426 2.939 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000416561427 559321993 /nfs/dbraw/zinc/32/19/93/559321993.db2.gz ULBQLFYJVXVGIO-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417994057 559385584 /nfs/dbraw/zinc/38/55/84/559385584.db2.gz QQGOSZPHCLCJFP-OAHLLOKOSA-N 1 1 358.801 2.134 20 5 FEBDMO O=C1C[NH2+]CCN1[C@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420230740 559477141 /nfs/dbraw/zinc/47/71/41/559477141.db2.gz AMIRAOFMBOBXGJ-NSHDSACASA-N 1 1 373.240 2.302 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329553 559480918 /nfs/dbraw/zinc/48/09/18/559480918.db2.gz OQZLDVIWNRLGBK-CABCVRRESA-N 1 1 357.414 2.466 20 5 FEBDMO CC1(C)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](CO)O1 ZINC000420932097 559512344 /nfs/dbraw/zinc/51/23/44/559512344.db2.gz HBCJALKUQDKFBI-HNNXBMFYSA-N 1 1 361.398 2.264 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000420998875 559518501 /nfs/dbraw/zinc/51/85/01/559518501.db2.gz ULCCZRPZWPSCAK-CQSZACIVSA-N 1 1 363.414 2.311 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421011795 559519303 /nfs/dbraw/zinc/51/93/03/559519303.db2.gz HMKJGZIIIRTVTD-KGLIPLIRSA-N 1 1 365.430 2.415 20 5 FEBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423977912 559648851 /nfs/dbraw/zinc/64/88/51/559648851.db2.gz WDYLPSGOCKPLIK-GOSISDBHSA-N 1 1 369.425 2.355 20 5 FEBDMO CSc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000423979467 559648861 /nfs/dbraw/zinc/64/88/61/559648861.db2.gz XSYXVAOSHJHXQB-HNNXBMFYSA-N 1 1 358.423 2.498 20 5 FEBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425394308 559699887 /nfs/dbraw/zinc/69/98/87/559699887.db2.gz KLZLRIGECKRDOU-MWLCHTKSSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425394308 559699886 /nfs/dbraw/zinc/69/98/86/559699886.db2.gz KLZLRIGECKRDOU-MWLCHTKSSA-N 1 1 356.220 2.443 20 5 FEBDMO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000425410944 559700824 /nfs/dbraw/zinc/70/08/24/559700824.db2.gz CFOMCAYONHGWAL-OAHLLOKOSA-N 1 1 368.231 2.459 20 5 FEBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000425410944 559700825 /nfs/dbraw/zinc/70/08/25/559700825.db2.gz CFOMCAYONHGWAL-OAHLLOKOSA-N 1 1 368.231 2.459 20 5 FEBDMO O=C1C[C@]2(CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)CN1 ZINC000425465915 559703538 /nfs/dbraw/zinc/70/35/38/559703538.db2.gz AMNHCFZNZTUYIL-CQSZACIVSA-N 1 1 354.204 2.069 20 5 FEBDMO O=C1C[C@]2(CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)CN1 ZINC000425465915 559703539 /nfs/dbraw/zinc/70/35/39/559703539.db2.gz AMNHCFZNZTUYIL-CQSZACIVSA-N 1 1 354.204 2.069 20 5 FEBDMO C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000425497208 559705577 /nfs/dbraw/zinc/70/55/77/559705577.db2.gz WGRYSBOJTOTLRA-TXEJJXNPSA-N 1 1 372.263 2.244 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429544039 559800864 /nfs/dbraw/zinc/80/08/64/559800864.db2.gz ZUNTWKHKEUHEGC-ZDUSSCGKSA-N 1 1 362.430 2.160 20 5 FEBDMO CCn1nccc1C[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429717272 559804329 /nfs/dbraw/zinc/80/43/29/559804329.db2.gz LKMRTUHXBOFWBF-UHFFFAOYSA-N 1 1 361.402 2.280 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180028 559853491 /nfs/dbraw/zinc/85/34/91/559853491.db2.gz TXRJDOXHQGUFOZ-HIFRSBDPSA-N 1 1 372.425 2.320 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CCC2CCOCC2)CC1 ZINC000432924434 559867841 /nfs/dbraw/zinc/86/78/41/559867841.db2.gz LMHVJKUTHLIZCD-UHFFFAOYSA-N 1 1 353.444 2.231 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C)O1 ZINC000432937591 559868247 /nfs/dbraw/zinc/86/82/47/559868247.db2.gz IGVWHVZTBDVIAB-BETUJISGSA-N 1 1 361.402 2.190 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H](C)O1 ZINC000432937591 559868248 /nfs/dbraw/zinc/86/82/48/559868248.db2.gz IGVWHVZTBDVIAB-BETUJISGSA-N 1 1 361.402 2.190 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)[C@@H]1CCCSC1 ZINC000433215383 559874018 /nfs/dbraw/zinc/87/40/18/559874018.db2.gz YCPSIKRLIRKSKO-CYBMUJFWSA-N 1 1 353.444 2.032 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000433215383 559874019 /nfs/dbraw/zinc/87/40/19/559874019.db2.gz YCPSIKRLIRKSKO-CYBMUJFWSA-N 1 1 353.444 2.032 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNc1nc(N[C@H]2CCCOC2)cc[nH+]1 ZINC000435347435 559920993 /nfs/dbraw/zinc/92/09/93/559920993.db2.gz ZTCNMHHDVUZUNY-ZDUSSCGKSA-N 1 1 359.386 2.596 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000444089125 560101135 /nfs/dbraw/zinc/10/11/35/560101135.db2.gz UWFHYHVLZJFMQI-UHFFFAOYSA-N 1 1 367.449 2.379 20 5 FEBDMO CN(C)C1(C[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CCC1 ZINC000445868594 560135929 /nfs/dbraw/zinc/13/59/29/560135929.db2.gz ICWICELPVVLUCF-UHFFFAOYSA-N 1 1 362.430 2.309 20 5 FEBDMO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1([NH+](C)C)CCC1 ZINC000445868594 560135930 /nfs/dbraw/zinc/13/59/30/560135930.db2.gz ICWICELPVVLUCF-UHFFFAOYSA-N 1 1 362.430 2.309 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCc2ncsc2C1 ZINC000446078240 560139355 /nfs/dbraw/zinc/13/93/55/560139355.db2.gz FKZDGDYULDDMMV-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2ncsc2C1 ZINC000446078240 560139356 /nfs/dbraw/zinc/13/93/56/560139356.db2.gz FKZDGDYULDDMMV-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448325850 560184726 /nfs/dbraw/zinc/18/47/26/560184726.db2.gz SZXNKDFAYPKLLG-HNNXBMFYSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000449104443 560215973 /nfs/dbraw/zinc/21/59/73/560215973.db2.gz FQZLSXBGYVHYFW-INIZCTEOSA-N 1 1 369.469 2.462 20 5 FEBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449884292 560244101 /nfs/dbraw/zinc/24/41/01/560244101.db2.gz OOZSODLSBWXBMG-GDBMZVCRSA-N 1 1 369.425 2.479 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000450959397 560280025 /nfs/dbraw/zinc/28/00/25/560280025.db2.gz YENWFUSOFBZNFZ-CYBMUJFWSA-N 1 1 360.389 2.299 20 5 FEBDMO Cc1nn(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000450966612 560280325 /nfs/dbraw/zinc/28/03/25/560280325.db2.gz YREAFHYGTJHDBW-HNNXBMFYSA-N 1 1 357.414 2.005 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC12COC2 ZINC000451133069 560289032 /nfs/dbraw/zinc/28/90/32/560289032.db2.gz JLWYUVRBLHIHSC-AWEZNQCLSA-N 1 1 364.398 2.005 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC12COC2 ZINC000451133069 560289033 /nfs/dbraw/zinc/28/90/33/560289033.db2.gz JLWYUVRBLHIHSC-AWEZNQCLSA-N 1 1 364.398 2.005 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)n2)c1 ZINC000451305781 560299200 /nfs/dbraw/zinc/29/92/00/560299200.db2.gz WPKGEFUHCVOIJP-IMJJTQAJSA-N 1 1 374.397 2.007 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419599 560305850 /nfs/dbraw/zinc/30/58/50/560305850.db2.gz LSICWUSEHOBQGH-BSDSXHPESA-N 1 1 359.426 2.326 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[S@@](=O)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000451763194 560327153 /nfs/dbraw/zinc/32/71/53/560327153.db2.gz YFVCRKBTDLEMST-RUZDIDTESA-N 1 1 367.471 2.465 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[S@@](=O)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000451763194 560327154 /nfs/dbraw/zinc/32/71/54/560327154.db2.gz YFVCRKBTDLEMST-RUZDIDTESA-N 1 1 367.471 2.465 20 5 FEBDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000452085087 560350259 /nfs/dbraw/zinc/35/02/59/560350259.db2.gz NJNYRWDHXKPOAN-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000452085087 560350260 /nfs/dbraw/zinc/35/02/60/560350260.db2.gz NJNYRWDHXKPOAN-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452389494 560362970 /nfs/dbraw/zinc/36/29/70/560362970.db2.gz MAOLWHJVCIQDEX-ZFWWWQNUSA-N 1 1 367.471 2.038 20 5 FEBDMO CCOc1ccc([C@H](C)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453257999 560384876 /nfs/dbraw/zinc/38/48/76/560384876.db2.gz HLAZRFJHONBKCV-GOEBONIOSA-N 1 1 351.447 2.491 20 5 FEBDMO CCOc1ccc([C@H](C)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453257999 560384877 /nfs/dbraw/zinc/38/48/77/560384877.db2.gz HLAZRFJHONBKCV-GOEBONIOSA-N 1 1 351.447 2.491 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000454097264 560428977 /nfs/dbraw/zinc/42/89/77/560428977.db2.gz MJMQOSLMXDMMGH-CQSZACIVSA-N 1 1 362.430 2.091 20 5 FEBDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)[N@@H+](C)C1 ZINC000455113629 560470699 /nfs/dbraw/zinc/47/06/99/560470699.db2.gz UWTKLGKTLCIYOJ-RCBQFDQVSA-N 1 1 350.419 2.016 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000455134364 560471296 /nfs/dbraw/zinc/47/12/96/560471296.db2.gz DEADROWYAWIYRV-AWEZNQCLSA-N 1 1 350.419 2.180 20 5 FEBDMO COC(=O)c1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000457004751 560543362 /nfs/dbraw/zinc/54/33/62/560543362.db2.gz YOERONZQCZVSAE-KRWDZBQOSA-N 1 1 369.377 2.168 20 5 FEBDMO Cc1cc(OCC(=O)N2CC[NH2+][C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000457006473 560543624 /nfs/dbraw/zinc/54/36/24/560543624.db2.gz ARYXEGWRAHFIIA-KRWDZBQOSA-N 1 1 355.394 2.455 20 5 FEBDMO C[N@@H+](CCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000457203249 560555509 /nfs/dbraw/zinc/55/55/09/560555509.db2.gz NTLJWGJOHMIJPQ-UHFFFAOYSA-N 1 1 358.398 2.453 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000458178195 560607225 /nfs/dbraw/zinc/60/72/25/560607225.db2.gz WEHNYBKBUAKHQE-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H](O)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000459704880 560703379 /nfs/dbraw/zinc/70/33/79/560703379.db2.gz MKXREACAUPMGBT-BEFAXECRSA-N 1 1 357.410 2.148 20 5 FEBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000461031660 560759951 /nfs/dbraw/zinc/75/99/51/560759951.db2.gz AYEBOXTVELPKII-CYBMUJFWSA-N 1 1 359.430 2.454 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000462191671 560800994 /nfs/dbraw/zinc/80/09/94/560800994.db2.gz WAPVYQCESJFZOP-RHSMWYFYSA-N 1 1 371.441 2.163 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000464857043 560853663 /nfs/dbraw/zinc/85/36/63/560853663.db2.gz TYJXJWTZXZYPTR-XJKSGUPXSA-N 1 1 363.414 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000464857043 560853665 /nfs/dbraw/zinc/85/36/65/560853665.db2.gz TYJXJWTZXZYPTR-XJKSGUPXSA-N 1 1 363.414 2.433 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000465994034 560877495 /nfs/dbraw/zinc/87/74/95/560877495.db2.gz YTEKBIIIBAONDB-HNNXBMFYSA-N 1 1 363.462 2.489 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000467219465 560906655 /nfs/dbraw/zinc/90/66/55/560906655.db2.gz TWEBADIZRPGJSK-UHFFFAOYSA-N 1 1 366.809 2.047 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000471205740 561000294 /nfs/dbraw/zinc/00/02/94/561000294.db2.gz WKKAVTWCCPHINK-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)C[C@H]1C(C)C ZINC000471205740 561000295 /nfs/dbraw/zinc/00/02/95/561000295.db2.gz WKKAVTWCCPHINK-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000471205740 561000296 /nfs/dbraw/zinc/00/02/96/561000296.db2.gz WKKAVTWCCPHINK-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000472770268 561035003 /nfs/dbraw/zinc/03/50/03/561035003.db2.gz ZMISRRSKMOWRIT-CQSZACIVSA-N 1 1 366.487 2.289 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000474577068 561077278 /nfs/dbraw/zinc/07/72/78/561077278.db2.gz LMNVQYNHVZQUIQ-UHFFFAOYSA-N 1 1 357.414 2.162 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000530715778 562421674 /nfs/dbraw/zinc/42/16/74/562421674.db2.gz AHJDCVALUWNCDR-OLZOCXBDSA-N 1 1 361.398 2.065 20 5 FEBDMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533265065 562503194 /nfs/dbraw/zinc/50/31/94/562503194.db2.gz IPKHOENPMGVOBF-LBPRGKRZSA-N 1 1 359.386 2.122 20 5 FEBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533265065 562503195 /nfs/dbraw/zinc/50/31/95/562503195.db2.gz IPKHOENPMGVOBF-LBPRGKRZSA-N 1 1 359.386 2.122 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000533469333 562509984 /nfs/dbraw/zinc/50/99/84/562509984.db2.gz UOPYCOFWARGUPN-WMLDXEAASA-N 1 1 364.446 2.345 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000540827190 562593994 /nfs/dbraw/zinc/59/39/94/562593994.db2.gz IGQYXEZEEBAIKY-MRXNPFEDSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000569802228 568425828 /nfs/dbraw/zinc/42/58/28/568425828.db2.gz SFCFAYAXSXVVHA-ZDUSSCGKSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000569802228 568425829 /nfs/dbraw/zinc/42/58/29/568425829.db2.gz SFCFAYAXSXVVHA-ZDUSSCGKSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000569802228 568425830 /nfs/dbraw/zinc/42/58/30/568425830.db2.gz SFCFAYAXSXVVHA-ZDUSSCGKSA-N 1 1 357.414 2.220 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000570244578 568466017 /nfs/dbraw/zinc/46/60/17/568466017.db2.gz PVHYTGLHBVOAKD-UONOGXRCSA-N 1 1 367.471 2.450 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821065692 606704662 /nfs/dbraw/zinc/70/46/62/606704662.db2.gz LXEKKKDGOIZEGI-GFCCVEGCSA-N 1 1 360.422 2.236 20 5 FEBDMO C[C@@H](Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824669550 609316299 /nfs/dbraw/zinc/31/62/99/609316299.db2.gz DZQFKIQQXZQMGV-NEPJUHHUSA-N 1 1 372.433 2.235 20 5 FEBDMO C[C@H](CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000563012647 674834743 /nfs/dbraw/zinc/83/47/43/674834743.db2.gz BNKSDSAHAAYLQT-HZPDHXFCSA-N 1 1 351.447 2.189 20 5 FEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000815018450 674898063 /nfs/dbraw/zinc/89/80/63/674898063.db2.gz QBSFRIFGFXYWGN-BDAKNGLRSA-N 1 1 365.814 2.148 20 5 FEBDMO CC1CC[NH+](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000101571933 670768597 /nfs/dbraw/zinc/76/85/97/670768597.db2.gz HEWXLVNEUNSMLD-UHFFFAOYSA-N 1 1 361.851 2.258 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000576157205 671347936 /nfs/dbraw/zinc/34/79/36/671347936.db2.gz HOXKBNOMKQZJBP-LBPRGKRZSA-N 1 1 351.403 2.230 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000576819511 671397010 /nfs/dbraw/zinc/39/70/10/671397010.db2.gz JTASHCMNLBZIDB-JSGCOSHPSA-N 1 1 355.460 2.260 20 5 FEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@H](C)[N@@H+]1C ZINC000577528219 671602356 /nfs/dbraw/zinc/60/23/56/671602356.db2.gz GKRJGJHFUFQERZ-BETUJISGSA-N 1 1 352.410 2.099 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000609353344 675919851 /nfs/dbraw/zinc/91/98/51/675919851.db2.gz XVMBOETVHGYBIP-OKILXGFUSA-N 1 1 355.460 2.444 20 5 FEBDMO C[N@@H+]1CCO[C@@H](CSCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000578356861 671659410 /nfs/dbraw/zinc/65/94/10/671659410.db2.gz HEAQKGLYKHBFSC-CYBMUJFWSA-N 1 1 350.400 2.209 20 5 FEBDMO C[N@H+]1CCO[C@@H](CSCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000578356861 671659412 /nfs/dbraw/zinc/65/94/12/671659412.db2.gz HEAQKGLYKHBFSC-CYBMUJFWSA-N 1 1 350.400 2.209 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000579464464 671737730 /nfs/dbraw/zinc/73/77/30/671737730.db2.gz SUVQPJOQUHLMCT-LDYMZIIASA-N 1 1 363.748 2.081 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609793408 675936425 /nfs/dbraw/zinc/93/64/25/675936425.db2.gz PFAWEJMOCLWURQ-ZDUSSCGKSA-N 1 1 355.822 2.018 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000581040960 671857897 /nfs/dbraw/zinc/85/78/97/671857897.db2.gz XQSHMIDUGZJFJO-LBPRGKRZSA-N 1 1 359.448 2.002 20 5 FEBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000118119635 671883682 /nfs/dbraw/zinc/88/36/82/671883682.db2.gz REXKXSOZRVTOSL-UHFFFAOYSA-N 1 1 356.810 2.033 20 5 FEBDMO C[N@@H+]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000119931749 671912982 /nfs/dbraw/zinc/91/29/82/671912982.db2.gz GJAHCCCDGNTHKC-UHFFFAOYSA-N 1 1 359.473 2.295 20 5 FEBDMO C[N@H+]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000119931749 671912985 /nfs/dbraw/zinc/91/29/85/671912985.db2.gz GJAHCCCDGNTHKC-UHFFFAOYSA-N 1 1 359.473 2.295 20 5 FEBDMO CCOC(=O)c1ccnc(N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000610133761 675955906 /nfs/dbraw/zinc/95/59/06/675955906.db2.gz TWURPKONSDLKTE-STQMWFEESA-N 1 1 350.419 2.476 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135144 675956359 /nfs/dbraw/zinc/95/63/59/675956359.db2.gz KFRZMQVSKTWMGJ-ZIAGYGMSSA-N 1 1 355.460 2.397 20 5 FEBDMO COc1ccc(CSCC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610208722 675959156 /nfs/dbraw/zinc/95/91/56/675959156.db2.gz JJHJJGYOHGDFHU-OCCSQVGLSA-N 1 1 367.471 2.436 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)n2)cc1 ZINC000131042999 672083310 /nfs/dbraw/zinc/08/33/10/672083310.db2.gz BUELNWGPKAPYRR-GJZGRUSLSA-N 1 1 361.427 2.017 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCS[C@H]4COCC[C@@H]43)n2)cc1 ZINC000131042999 672083312 /nfs/dbraw/zinc/08/33/12/672083312.db2.gz BUELNWGPKAPYRR-GJZGRUSLSA-N 1 1 361.427 2.017 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000131540128 672089119 /nfs/dbraw/zinc/08/91/19/672089119.db2.gz CRZSDZHINYFWOP-HNNXBMFYSA-N 1 1 366.849 2.162 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000134639301 672125022 /nfs/dbraw/zinc/12/50/22/672125022.db2.gz AIXAUCRMMOSJGJ-STQMWFEESA-N 1 1 353.423 2.169 20 5 FEBDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221797 672374466 /nfs/dbraw/zinc/37/44/66/672374466.db2.gz ZXTTUEVKHKQPJL-OAHLLOKOSA-N 1 1 351.451 2.200 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000250757008 672876379 /nfs/dbraw/zinc/87/63/79/672876379.db2.gz GIZMVFQZTPADJA-GXSJLCMTSA-N 1 1 357.208 2.027 20 5 FEBDMO COc1cc(C(=O)NCCC[N@@H+](C)CC(C)C)c([N+](=O)[O-])cc1OC ZINC000593210516 672892720 /nfs/dbraw/zinc/89/27/20/672892720.db2.gz WBKDMTHNLWQGAV-UHFFFAOYSA-N 1 1 353.419 2.320 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000594017066 673021126 /nfs/dbraw/zinc/02/11/26/673021126.db2.gz PVLWSYDLMJSJSU-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594799276 673146843 /nfs/dbraw/zinc/14/68/43/673146843.db2.gz LMKURQAIJGLSEH-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000594800465 673147552 /nfs/dbraw/zinc/14/75/52/673147552.db2.gz GBHDMAMYLWYLBZ-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595075202 673190860 /nfs/dbraw/zinc/19/08/60/673190860.db2.gz XHKQCQWTAKAUJO-NSHDSACASA-N 1 1 368.821 2.176 20 5 FEBDMO COc1cc(CN[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000729681824 673243346 /nfs/dbraw/zinc/24/33/46/673243346.db2.gz KFPJMVNKXRMEBZ-LLVKDONJSA-N 1 1 363.336 2.338 20 5 FEBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000729681824 673243347 /nfs/dbraw/zinc/24/33/47/673243347.db2.gz KFPJMVNKXRMEBZ-LLVKDONJSA-N 1 1 363.336 2.338 20 5 FEBDMO CNS(=O)(=O)c1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000595476753 673255958 /nfs/dbraw/zinc/25/59/58/673255958.db2.gz OSYSUKLNBPJLGI-UHFFFAOYSA-N 1 1 363.439 2.177 20 5 FEBDMO C[C@@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000732034444 673351286 /nfs/dbraw/zinc/35/12/86/673351286.db2.gz FWNBDYALJYIWSH-VIFPVBQESA-N 1 1 363.386 2.486 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596077327 673356659 /nfs/dbraw/zinc/35/66/59/673356659.db2.gz TWZBEBFIHFQXJR-ZDUSSCGKSA-N 1 1 370.475 2.166 20 5 FEBDMO Cc1cc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])s1 ZINC000596123650 673361286 /nfs/dbraw/zinc/36/12/86/673361286.db2.gz YUWHTZOMQPAWHW-UHFFFAOYSA-N 1 1 366.487 2.345 20 5 FEBDMO CC(C)Oc1nc(N2CCC[C@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000596247170 673371486 /nfs/dbraw/zinc/37/14/86/673371486.db2.gz LUYGQEOZGWIWHD-AWEZNQCLSA-N 1 1 350.419 2.078 20 5 FEBDMO CCC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000537205903 673383988 /nfs/dbraw/zinc/38/39/88/673383988.db2.gz CMHJFPBRFADGFA-CQSZACIVSA-N 1 1 355.460 2.337 20 5 FEBDMO C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597579025 673489550 /nfs/dbraw/zinc/48/95/50/673489550.db2.gz LJBVVBMZNHSRAY-XZJROXQQSA-N 1 1 353.369 2.482 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000598616898 673591134 /nfs/dbraw/zinc/59/11/34/673591134.db2.gz GEVNQPCLYXONKM-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000598616898 673591139 /nfs/dbraw/zinc/59/11/39/673591139.db2.gz GEVNQPCLYXONKM-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598644600 673593798 /nfs/dbraw/zinc/59/37/98/673593798.db2.gz QYTYHUOKQRGHIZ-HNNXBMFYSA-N 1 1 362.407 2.233 20 5 FEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599622577 673698366 /nfs/dbraw/zinc/69/83/66/673698366.db2.gz LQFWZXBYTLXEMJ-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO Nc1c(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000600229947 673750262 /nfs/dbraw/zinc/75/02/62/673750262.db2.gz YQVRMEIZCNEGEG-ZDUSSCGKSA-N 1 1 350.394 2.453 20 5 FEBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808792 673800841 /nfs/dbraw/zinc/80/08/41/673800841.db2.gz QSZUWUNGCMBZSP-AWEZNQCLSA-N 1 1 367.471 2.283 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000745374914 673834624 /nfs/dbraw/zinc/83/46/24/673834624.db2.gz FPZOHUQBPVOQOQ-VXGBXAGGSA-N 1 1 353.394 2.352 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601356612 673847596 /nfs/dbraw/zinc/84/75/96/673847596.db2.gz SJPUQRBKWKVQIC-JQWIXIFHSA-N 1 1 361.489 2.316 20 5 FEBDMO C[C@@](CO)([NH2+]Cc1cccn(C(F)F)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000602731409 673909988 /nfs/dbraw/zinc/90/99/88/673909988.db2.gz JQZFSXYCQSMODS-INIZCTEOSA-N 1 1 353.325 2.149 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1 ZINC000602880477 673912768 /nfs/dbraw/zinc/91/27/68/673912768.db2.gz GGICSOMSKREBAG-QGZVFWFLSA-N 1 1 351.472 2.235 20 5 FEBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000603110708 673917256 /nfs/dbraw/zinc/91/72/56/673917256.db2.gz PHPUPCYOHNOUQR-LSDHHAIUSA-N 1 1 367.833 2.477 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000603121123 673917817 /nfs/dbraw/zinc/91/78/17/673917817.db2.gz YCPLHZQESFWOGJ-HUUCEWRRSA-N 1 1 367.833 2.477 20 5 FEBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850652 675247646 /nfs/dbraw/zinc/24/76/46/675247646.db2.gz MNWNWQUTYKKQSV-OWCLPIDISA-N 1 1 351.447 2.045 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850652 675247650 /nfs/dbraw/zinc/24/76/50/675247650.db2.gz MNWNWQUTYKKQSV-OWCLPIDISA-N 1 1 351.447 2.045 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000821328051 675427479 /nfs/dbraw/zinc/42/74/79/675427479.db2.gz CIPNFSMBGKSZET-BETUJISGSA-N 1 1 368.231 2.267 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000821328051 675427481 /nfs/dbraw/zinc/42/74/81/675427481.db2.gz CIPNFSMBGKSZET-BETUJISGSA-N 1 1 368.231 2.267 20 5 FEBDMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000822717960 675502516 /nfs/dbraw/zinc/50/25/16/675502516.db2.gz VXRMNHQMBPTEEB-HNNXBMFYSA-N 1 1 353.419 2.254 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000827291838 675745912 /nfs/dbraw/zinc/74/59/12/675745912.db2.gz XHEDFCDQPIWSDH-GXFFZTMASA-N 1 1 355.341 2.362 20 5 FEBDMO C[N@@H+](C[C@@H](O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CC1 ZINC000839653682 680769218 /nfs/dbraw/zinc/76/92/18/680769218.db2.gz BZKKIOBWAWVGFN-HZMBPMFUSA-N 1 1 365.327 2.382 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C1 ZINC000749999857 680094564 /nfs/dbraw/zinc/09/45/64/680094564.db2.gz MKDNBRGKAONFAJ-CYBMUJFWSA-N 1 1 366.849 2.100 20 5 FEBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140025 680100956 /nfs/dbraw/zinc/10/09/56/680100956.db2.gz VAPWAMSMZHLONA-HKUMRIAESA-N 1 1 358.225 2.395 20 5 FEBDMO CC(C)(NC(=S)NCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000751918928 680209740 /nfs/dbraw/zinc/20/97/40/680209740.db2.gz TVKRGXBPCAUWCY-UHFFFAOYSA-N 1 1 366.487 2.016 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC000997772226 680365881 /nfs/dbraw/zinc/36/58/81/680365881.db2.gz MLMAGALGOWOLLQ-GDBMZVCRSA-N 1 1 369.824 2.473 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000997772033 680365916 /nfs/dbraw/zinc/36/59/16/680365916.db2.gz KNOYUUAABXPMGM-MLGOLLRUSA-N 1 1 369.824 2.473 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1c([N+](=O)[O-])cccc1C(F)(F)F ZINC000755101855 680399165 /nfs/dbraw/zinc/39/91/65/680399165.db2.gz WQJOKQLRJYEWPX-UHFFFAOYSA-N 1 1 362.304 2.493 20 5 FEBDMO C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985424865 680446819 /nfs/dbraw/zinc/44/68/19/680446819.db2.gz BOPIDKRKBCLPEE-HZPDHXFCSA-N 1 1 351.834 2.428 20 5 FEBDMO C[N@H+](Cc1ccc(Cl)cc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985424865 680446822 /nfs/dbraw/zinc/44/68/22/680446822.db2.gz BOPIDKRKBCLPEE-HZPDHXFCSA-N 1 1 351.834 2.428 20 5 FEBDMO C[N@@H+](Cc1ccc(Cl)cc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985424865 680446824 /nfs/dbraw/zinc/44/68/24/680446824.db2.gz BOPIDKRKBCLPEE-HZPDHXFCSA-N 1 1 351.834 2.428 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1Cl ZINC000836643106 680494342 /nfs/dbraw/zinc/49/43/42/680494342.db2.gz XVUDIFLDXSIYHM-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1Cl ZINC000836772084 680512032 /nfs/dbraw/zinc/51/20/32/680512032.db2.gz VNCXDUULTMUGDU-UHFFFAOYSA-N 1 1 363.805 2.253 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000838150785 680676255 /nfs/dbraw/zinc/67/62/55/680676255.db2.gz YGXPIUAIMJBGPC-LBPRGKRZSA-N 1 1 352.410 2.262 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766247743 680871614 /nfs/dbraw/zinc/87/16/14/680871614.db2.gz IIGCYTMKCRQNSR-WDEREUQCSA-N 1 1 350.375 2.366 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766247743 680871615 /nfs/dbraw/zinc/87/16/15/680871615.db2.gz IIGCYTMKCRQNSR-WDEREUQCSA-N 1 1 350.375 2.366 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000768839338 680960644 /nfs/dbraw/zinc/96/06/44/680960644.db2.gz QCPKFYKXUBBBBF-UHFFFAOYSA-N 1 1 361.489 2.397 20 5 FEBDMO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000775206082 681285372 /nfs/dbraw/zinc/28/53/72/681285372.db2.gz UMPJLTZIKNDZGI-KBPBESRZSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000775206082 681285376 /nfs/dbraw/zinc/28/53/76/681285376.db2.gz UMPJLTZIKNDZGI-KBPBESRZSA-N 1 1 358.822 2.094 20 5 FEBDMO COc1cc(C[NH2+][C@@H]2COCC[C@H]2OC)c([N+](=O)[O-])cc1OC(F)F ZINC000934042603 681500348 /nfs/dbraw/zinc/50/03/48/681500348.db2.gz FICKGKMAQUYPJN-ZYHUDNBSSA-N 1 1 362.329 2.098 20 5 FEBDMO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000777799886 681531346 /nfs/dbraw/zinc/53/13/46/681531346.db2.gz URUNVTFVOZEWBI-GHMZBOCLSA-N 1 1 363.443 2.450 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000777998907 681554842 /nfs/dbraw/zinc/55/48/42/681554842.db2.gz FZXWSILVEALQLK-LBPRGKRZSA-N 1 1 359.423 2.005 20 5 FEBDMO Cn1cc(C[NH2+][C@@](C)(CO)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000934493219 681578179 /nfs/dbraw/zinc/57/81/79/681578179.db2.gz JXUIVSPNZJVGRM-AWEZNQCLSA-N 1 1 369.219 2.088 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)c1 ZINC000934636847 681603623 /nfs/dbraw/zinc/60/36/23/681603623.db2.gz DXZRWWPOLVDCIS-ROUUACIJSA-N 1 1 350.415 2.146 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@@H]2CC2CCOCC2)c1 ZINC000934636847 681603629 /nfs/dbraw/zinc/60/36/29/681603629.db2.gz DXZRWWPOLVDCIS-ROUUACIJSA-N 1 1 350.415 2.146 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000849420113 681726062 /nfs/dbraw/zinc/72/60/62/681726062.db2.gz RBWHUWFQJQPYMV-NSHDSACASA-N 1 1 361.851 2.399 20 5 FEBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000915297527 685514066 /nfs/dbraw/zinc/51/40/66/685514066.db2.gz PBYAZPGVJYQHIM-VXGBXAGGSA-N 1 1 350.375 2.496 20 5 FEBDMO CC[N@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000852166963 682231341 /nfs/dbraw/zinc/23/13/41/682231341.db2.gz KOARAXIMIJPVAX-ZDUSSCGKSA-N 1 1 352.410 2.479 20 5 FEBDMO CCN1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000852166963 682231345 /nfs/dbraw/zinc/23/13/45/682231345.db2.gz KOARAXIMIJPVAX-ZDUSSCGKSA-N 1 1 352.410 2.479 20 5 FEBDMO CCN1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H](C)C1 ZINC000852166963 682231348 /nfs/dbraw/zinc/23/13/48/682231348.db2.gz KOARAXIMIJPVAX-ZDUSSCGKSA-N 1 1 352.410 2.479 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000917656174 685533628 /nfs/dbraw/zinc/53/36/28/685533628.db2.gz XOSXWZVGGJKKOP-NWDGAFQWSA-N 1 1 373.862 2.462 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000785734675 682322079 /nfs/dbraw/zinc/32/20/79/682322079.db2.gz UKSJYOCLQLAOJF-PHIMTYICSA-N 1 1 353.350 2.088 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000785734675 682322082 /nfs/dbraw/zinc/32/20/82/682322082.db2.gz UKSJYOCLQLAOJF-PHIMTYICSA-N 1 1 353.350 2.088 20 5 FEBDMO CC(C)(C)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000786776320 682403974 /nfs/dbraw/zinc/40/39/74/682403974.db2.gz BCOHXTJJVGWDGO-UHFFFAOYSA-N 1 1 355.460 2.309 20 5 FEBDMO CC(C)(C)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000786776320 682403976 /nfs/dbraw/zinc/40/39/76/682403976.db2.gz BCOHXTJJVGWDGO-UHFFFAOYSA-N 1 1 355.460 2.309 20 5 FEBDMO CC(C)[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000787961544 682493853 /nfs/dbraw/zinc/49/38/53/682493853.db2.gz MADGHFSCRXPIBV-YGRLFVJLSA-N 1 1 355.366 2.190 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000788913354 682565517 /nfs/dbraw/zinc/56/55/17/682565517.db2.gz NWFFQQJOTFOANE-DGCLKSJQSA-N 1 1 373.450 2.441 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000854643862 682574393 /nfs/dbraw/zinc/57/43/93/682574393.db2.gz ZJDMWAVLHSNAOO-GOEBONIOSA-N 1 1 367.833 2.492 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000855164182 682634374 /nfs/dbraw/zinc/63/43/74/682634374.db2.gz JDUQZZYUIFWLLU-VIFPVBQESA-N 1 1 371.235 2.355 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000791354375 682737360 /nfs/dbraw/zinc/73/73/60/682737360.db2.gz ZZSPSQFXSNUYNQ-UHFFFAOYSA-N 1 1 352.410 2.404 20 5 FEBDMO C[C@@H]1CN(c2cccc(Br)c2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000856763974 682807676 /nfs/dbraw/zinc/80/76/76/682807676.db2.gz MAYUALSNMHYZNW-PHIMTYICSA-N 1 1 358.236 2.249 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000793951548 682920423 /nfs/dbraw/zinc/92/04/23/682920423.db2.gz IUJUPWIKNMDHOG-UHFFFAOYSA-N 1 1 363.805 2.381 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1cccc(Br)c1[N+](=O)[O-] ZINC000858687320 682992976 /nfs/dbraw/zinc/99/29/76/682992976.db2.gz CVQPHFSSQIFLBQ-LBPRGKRZSA-N 1 1 371.235 2.109 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000859999309 683185102 /nfs/dbraw/zinc/18/51/02/683185102.db2.gz NYTXWPBVZWCMNH-UHFFFAOYSA-N 1 1 373.203 2.236 20 5 FEBDMO Cc1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1Br ZINC000798216487 683322311 /nfs/dbraw/zinc/32/23/11/683322311.db2.gz QETRNYOJGATYGJ-UHFFFAOYSA-N 1 1 358.236 2.170 20 5 FEBDMO C[C@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@H+]1C ZINC000928438449 683451777 /nfs/dbraw/zinc/45/17/77/683451777.db2.gz JXLISZQOJFBOOE-OIBJUYFYSA-N 1 1 360.183 2.319 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928446099 683453247 /nfs/dbraw/zinc/45/32/47/683453247.db2.gz VDHVHERKRCQDQE-RISCZKNCSA-N 1 1 353.444 2.156 20 5 FEBDMO O=C1C[C@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)CN1 ZINC000930265873 683701882 /nfs/dbraw/zinc/70/18/82/683701882.db2.gz IQZFPDRIOQHHQK-CQSZACIVSA-N 1 1 354.204 2.069 20 5 FEBDMO O=C1C[C@]2(CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)CN1 ZINC000930265873 683701885 /nfs/dbraw/zinc/70/18/85/683701885.db2.gz IQZFPDRIOQHHQK-CQSZACIVSA-N 1 1 354.204 2.069 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866271473 684087286 /nfs/dbraw/zinc/08/72/86/684087286.db2.gz LUDODQZBGSXOPQ-LLVKDONJSA-N 1 1 370.247 2.358 20 5 FEBDMO C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340981 684093244 /nfs/dbraw/zinc/09/32/44/684093244.db2.gz JJXIRYJJRMBRSC-GJZGRUSLSA-N 1 1 352.454 2.281 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000867373764 684262349 /nfs/dbraw/zinc/26/23/49/684262349.db2.gz RIHVDMMZOKLLPI-LBPRGKRZSA-N 1 1 359.423 2.146 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931610391 684312874 /nfs/dbraw/zinc/31/28/74/684312874.db2.gz ONWHGMJRCCYXFW-ZDUSSCGKSA-N 1 1 352.366 2.109 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867813576 684397482 /nfs/dbraw/zinc/39/74/82/684397482.db2.gz XYJVRVAEFGTUPX-YPMHNXCESA-N 1 1 373.862 2.271 20 5 FEBDMO CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)[N@@H+](C)C1 ZINC000925245824 684543810 /nfs/dbraw/zinc/54/38/10/684543810.db2.gz UWTKLGKTLCIYOJ-KCXAZCMYSA-N 1 1 350.419 2.016 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872661846 684999044 /nfs/dbraw/zinc/99/90/44/684999044.db2.gz DEKDQFXSGYSFBU-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)C(C)C ZINC000878629110 686623687 /nfs/dbraw/zinc/62/36/87/686623687.db2.gz BHXUJQRTLBPWKR-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879558770 686855268 /nfs/dbraw/zinc/85/52/68/686855268.db2.gz KWKGJDFFJFPFEX-RYUDHWBXSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879558770 686855273 /nfs/dbraw/zinc/85/52/73/686855273.db2.gz KWKGJDFFJFPFEX-RYUDHWBXSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000880581602 687062075 /nfs/dbraw/zinc/06/20/75/687062075.db2.gz FDYZANUEBQSEDV-CYBMUJFWSA-N 1 1 354.378 2.106 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000880581602 687062078 /nfs/dbraw/zinc/06/20/78/687062078.db2.gz FDYZANUEBQSEDV-CYBMUJFWSA-N 1 1 354.378 2.106 20 5 FEBDMO CN(C)c1ncc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])n1C ZINC000883287856 687599578 /nfs/dbraw/zinc/59/95/78/687599578.db2.gz IMFRRKIETZLYNM-UHFFFAOYSA-N 1 1 368.235 2.447 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000885457027 688077815 /nfs/dbraw/zinc/07/78/15/688077815.db2.gz KQPHVIKCGCPUKO-CVEARBPZSA-N 1 1 367.471 2.026 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000885858016 688170294 /nfs/dbraw/zinc/17/02/94/688170294.db2.gz KABRIFHBMSOAFH-ZDUSSCGKSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000885858014 688170528 /nfs/dbraw/zinc/17/05/28/688170528.db2.gz KABRIFHBMSOAFH-CYBMUJFWSA-N 1 1 353.806 2.231 20 5 FEBDMO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886411385 688248660 /nfs/dbraw/zinc/24/86/60/688248660.db2.gz UEZJVUZGODDAMQ-ZDUSSCGKSA-N 1 1 353.423 2.160 20 5 FEBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886411385 688248666 /nfs/dbraw/zinc/24/86/66/688248666.db2.gz UEZJVUZGODDAMQ-ZDUSSCGKSA-N 1 1 353.423 2.160 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC000889751772 688816570 /nfs/dbraw/zinc/81/65/70/688816570.db2.gz SBZRYNLAPQVGJO-GJZGRUSLSA-N 1 1 367.833 2.228 20 5 FEBDMO CC[N@@H+](CCO)CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897416205 690020262 /nfs/dbraw/zinc/02/02/62/690020262.db2.gz SIWPBGHGFKKOAC-UHFFFAOYSA-N 1 1 368.192 2.085 20 5 FEBDMO Nc1c(Cl)cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000907792057 691561249 /nfs/dbraw/zinc/56/12/49/691561249.db2.gz COVYYIUPJGYWNA-RYUDHWBXSA-N 1 1 356.785 2.089 20 5 FEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001164807994 720087186 /nfs/dbraw/zinc/08/71/86/720087186.db2.gz GUMQKKPBRVQHLY-KSSFIOAISA-N 1 1 364.421 2.314 20 5 FEBDMO Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)ncc1[N+](=O)[O-] ZINC001164863152 721016211 /nfs/dbraw/zinc/01/62/11/721016211.db2.gz UBQCPHKFFBUIDY-CYBMUJFWSA-N 1 1 359.434 2.311 20 5 FEBDMO COc1nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164781710 721398566 /nfs/dbraw/zinc/39/85/66/721398566.db2.gz CWCBUBIGTRUKIE-TXEJJXNPSA-N 1 1 361.427 2.023 20 5 FEBDMO COc1nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164781710 721398569 /nfs/dbraw/zinc/39/85/69/721398569.db2.gz CWCBUBIGTRUKIE-TXEJJXNPSA-N 1 1 361.427 2.023 20 5 FEBDMO Nc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164909332 721541502 /nfs/dbraw/zinc/54/15/02/721541502.db2.gz RMJSKYNZDCGVNW-ZFWWWQNUSA-N 1 1 373.388 2.053 20 5 FEBDMO CC(C)Oc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000594539365 721920012 /nfs/dbraw/zinc/92/00/12/721920012.db2.gz BKGLGQWAMKZPQP-CQSZACIVSA-N 1 1 350.419 2.078 20 5 FEBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473510049 887209501 /nfs/dbraw/zinc/20/95/01/887209501.db2.gz FCHDQFOQBUSTBI-MRXNPFEDSA-N 1 1 371.441 2.498 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032441116 539939521 /nfs/dbraw/zinc/93/95/21/539939521.db2.gz ISYLGAQFYKQYQX-QWHCGFSZSA-N 1 1 371.459 2.145 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000041443357 540021871 /nfs/dbraw/zinc/02/18/71/540021871.db2.gz BDKGWLCYPYYKAN-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000041644052 540028471 /nfs/dbraw/zinc/02/84/71/540028471.db2.gz GGZSIXXPZDXOGP-UONOGXRCSA-N 1 1 362.430 2.221 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000041651444 540029654 /nfs/dbraw/zinc/02/96/54/540029654.db2.gz JUHDRTIKAOMDCG-JSGCOSHPSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000041669652 540030455 /nfs/dbraw/zinc/03/04/55/540030455.db2.gz CDMOPNWGUBNQIB-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000044533790 540129772 /nfs/dbraw/zinc/12/97/72/540129772.db2.gz FFHRVZLVRDKZEE-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000052153813 540456238 /nfs/dbraw/zinc/45/62/38/540456238.db2.gz MHMDMCOIFYUVSP-JTQLQIEISA-N 1 1 352.778 2.337 20 5 FEBDMO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000057843593 540819094 /nfs/dbraw/zinc/81/90/94/540819094.db2.gz PIHFIZPWCHEMAD-CYBMUJFWSA-N 1 1 363.439 2.478 20 5 FEBDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063574754 541174126 /nfs/dbraw/zinc/17/41/26/541174126.db2.gz LVXOOWZVYMOENS-AEFFLSMTSA-N 1 1 369.425 2.324 20 5 FEBDMO CC[N@@H+](C)CCNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000066373534 541309470 /nfs/dbraw/zinc/30/94/70/541309470.db2.gz BLBCYDHJFZQGQX-UHFFFAOYSA-N 1 1 370.475 2.133 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066630144 541350990 /nfs/dbraw/zinc/35/09/90/541350990.db2.gz JLHCYYFASSPPFO-QWHCGFSZSA-N 1 1 363.414 2.216 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000067825333 541517427 /nfs/dbraw/zinc/51/74/27/541517427.db2.gz RWKNZQZNHQVJGI-RDJZCZTQSA-N 1 1 369.425 2.243 20 5 FEBDMO CCCc1n[nH]c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000068229338 541566238 /nfs/dbraw/zinc/56/62/38/541566238.db2.gz PMZIRRPVCOWFBP-ZDUSSCGKSA-N 1 1 361.402 2.430 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068311652 541575178 /nfs/dbraw/zinc/57/51/78/541575178.db2.gz XAMYQIIBPDSENJ-HNNXBMFYSA-N 1 1 363.414 2.023 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+]2CCCCC2)s1 ZINC000069124154 541660262 /nfs/dbraw/zinc/66/02/62/541660262.db2.gz BCTHGJZWWBHPDH-LBPRGKRZSA-N 1 1 359.473 2.295 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)cc1OC ZINC000069138635 541662472 /nfs/dbraw/zinc/66/24/72/541662472.db2.gz NACJPAVFUKNZJV-ZDUSSCGKSA-N 1 1 365.430 2.464 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069423895 541685676 /nfs/dbraw/zinc/68/56/76/541685676.db2.gz BREWBIMWCBAEOT-LSDHHAIUSA-N 1 1 364.446 2.393 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000069797668 541713816 /nfs/dbraw/zinc/71/38/16/541713816.db2.gz MDTNOHLKXXHJJB-ZDUSSCGKSA-N 1 1 350.375 2.052 20 5 FEBDMO COCCOC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072796359 541866381 /nfs/dbraw/zinc/86/63/81/541866381.db2.gz JRMHHBLBHAOSKQ-OAHLLOKOSA-N 1 1 365.430 2.217 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858552 541882886 /nfs/dbraw/zinc/88/28/86/541882886.db2.gz UKZWMTNTPUVWTF-CQSZACIVSA-N 1 1 362.430 2.166 20 5 FEBDMO CC(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000073501225 541960223 /nfs/dbraw/zinc/96/02/23/541960223.db2.gz LPZJCGUTQQNZGK-MRXNPFEDSA-N 1 1 350.419 2.463 20 5 FEBDMO Cc1n[nH]c(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447268 542084911 /nfs/dbraw/zinc/08/49/11/542084911.db2.gz GTRHTPBJJHAGHT-OAHLLOKOSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447268 542084915 /nfs/dbraw/zinc/08/49/15/542084915.db2.gz GTRHTPBJJHAGHT-OAHLLOKOSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447268 542084916 /nfs/dbraw/zinc/08/49/16/542084916.db2.gz GTRHTPBJJHAGHT-OAHLLOKOSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1c(C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000076610008 542300990 /nfs/dbraw/zinc/30/09/90/542300990.db2.gz CHBRYQRDCDTVSY-UHFFFAOYSA-N 1 1 360.458 2.033 20 5 FEBDMO Cc1c(C[N@H+]2CCCN(CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000076610008 542300995 /nfs/dbraw/zinc/30/09/95/542300995.db2.gz CHBRYQRDCDTVSY-UHFFFAOYSA-N 1 1 360.458 2.033 20 5 FEBDMO Cc1c(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000076610008 542301000 /nfs/dbraw/zinc/30/10/00/542301000.db2.gz CHBRYQRDCDTVSY-UHFFFAOYSA-N 1 1 360.458 2.033 20 5 FEBDMO Cc1c(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000076610008 542301002 /nfs/dbraw/zinc/30/10/02/542301002.db2.gz CHBRYQRDCDTVSY-UHFFFAOYSA-N 1 1 360.458 2.033 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000085857440 542733410 /nfs/dbraw/zinc/73/34/10/542733410.db2.gz VJOJOIMOJLAFBV-ZWKOTPCHSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2CN2CCC[C@@H]2CO)cc1 ZINC000085857440 542733413 /nfs/dbraw/zinc/73/34/13/542733413.db2.gz VJOJOIMOJLAFBV-ZWKOTPCHSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2CN2CCC[C@@H]2CO)cc1 ZINC000085857440 542733416 /nfs/dbraw/zinc/73/34/16/542733416.db2.gz VJOJOIMOJLAFBV-ZWKOTPCHSA-N 1 1 363.458 2.285 20 5 FEBDMO Cc1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000089960001 542776847 /nfs/dbraw/zinc/77/68/47/542776847.db2.gz ITDNAKQUSUVSPN-RBUKOAKNSA-N 1 1 369.421 2.268 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H](C(N)=O)O1 ZINC000092005902 542836508 /nfs/dbraw/zinc/83/65/08/542836508.db2.gz NAUTWUFLKWMWDT-IAQYHMDHSA-N 1 1 361.423 2.398 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@H](C(N)=O)O1 ZINC000092005902 542836510 /nfs/dbraw/zinc/83/65/10/542836510.db2.gz NAUTWUFLKWMWDT-IAQYHMDHSA-N 1 1 361.423 2.398 20 5 FEBDMO C[NH+](C)Cc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000092980658 542899810 /nfs/dbraw/zinc/89/98/10/542899810.db2.gz VVDYZLBRMGQLLB-UHFFFAOYSA-N 1 1 367.402 2.274 20 5 FEBDMO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000247423758 549332848 /nfs/dbraw/zinc/33/28/48/549332848.db2.gz OEUNFMUHNOSKBY-QMTHXVAHSA-N 1 1 350.375 2.224 20 5 FEBDMO COc1cc(C[N@@H+]2CCCN(c3cccnn3)CC2)c([N+](=O)[O-])cc1OC ZINC000093150351 542913486 /nfs/dbraw/zinc/91/34/86/542913486.db2.gz OJIICLODIDUOQR-UHFFFAOYSA-N 1 1 373.413 2.114 20 5 FEBDMO COc1cc(C[N@H+]2CCCN(c3cccnn3)CC2)c([N+](=O)[O-])cc1OC ZINC000093150351 542913492 /nfs/dbraw/zinc/91/34/92/542913492.db2.gz OJIICLODIDUOQR-UHFFFAOYSA-N 1 1 373.413 2.114 20 5 FEBDMO CC(C)c1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093821186 542942052 /nfs/dbraw/zinc/94/20/52/542942052.db2.gz UASFBJYLBTXVMX-SFHVURJKSA-N 1 1 374.485 2.457 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102490212 543071783 /nfs/dbraw/zinc/07/17/83/543071783.db2.gz ZXXAEULTSCGFPQ-CYBMUJFWSA-N 1 1 351.451 2.153 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000104748830 543141506 /nfs/dbraw/zinc/14/15/06/543141506.db2.gz IEPXHPQBFBYGIB-NSHDSACASA-N 1 1 361.851 2.129 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCCO)CC(C)(C)C ZINC000109747707 543335901 /nfs/dbraw/zinc/33/59/01/543335901.db2.gz SWZAQTQBNNRPAD-UHFFFAOYSA-N 1 1 353.419 2.272 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751215 543336241 /nfs/dbraw/zinc/33/62/41/543336241.db2.gz UONASYNDYQMCIK-GOSISDBHSA-N 1 1 362.474 2.076 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000109848807 543342000 /nfs/dbraw/zinc/34/20/00/543342000.db2.gz DJBIMYJGBQFRHP-LLVKDONJSA-N 1 1 374.363 2.484 20 5 FEBDMO Cc1ccc(C)c([C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H](C)CO2)c1 ZINC000247456247 549336143 /nfs/dbraw/zinc/33/61/43/549336143.db2.gz HWXUHFAHJXIBEM-SUMDDJOVSA-N 1 1 374.441 2.231 20 5 FEBDMO Cc1ccc(C)c([C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H](C)CO2)c1 ZINC000247456247 549336148 /nfs/dbraw/zinc/33/61/48/549336148.db2.gz HWXUHFAHJXIBEM-SUMDDJOVSA-N 1 1 374.441 2.231 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115432660 543566863 /nfs/dbraw/zinc/56/68/63/543566863.db2.gz WGQIDUMTCQHGLR-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000115679029 543581019 /nfs/dbraw/zinc/58/10/19/543581019.db2.gz SFBXLKDOGAPZOJ-AWEZNQCLSA-N 1 1 374.422 2.358 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000115679029 543581021 /nfs/dbraw/zinc/58/10/21/543581021.db2.gz SFBXLKDOGAPZOJ-AWEZNQCLSA-N 1 1 374.422 2.358 20 5 FEBDMO COCC[NH+]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000122978432 543734810 /nfs/dbraw/zinc/73/48/10/543734810.db2.gz WVGLGMUCAXLWGC-UHFFFAOYSA-N 1 1 362.455 2.482 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000124407877 543819449 /nfs/dbraw/zinc/81/94/49/543819449.db2.gz OWVNHCURBOAARH-KBPBESRZSA-N 1 1 357.414 2.335 20 5 FEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000124057261 543798594 /nfs/dbraw/zinc/79/85/94/543798594.db2.gz WYXCQZYGSYXCBA-NXEZZACHSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000124057261 543798598 /nfs/dbraw/zinc/79/85/98/543798598.db2.gz WYXCQZYGSYXCBA-NXEZZACHSA-N 1 1 359.835 2.152 20 5 FEBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1 ZINC000125479485 543883994 /nfs/dbraw/zinc/88/39/94/543883994.db2.gz PXFZXNKLTNEPBO-UKRRQHHQSA-N 1 1 371.397 2.135 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1C ZINC000126277512 543927575 /nfs/dbraw/zinc/92/75/75/543927575.db2.gz BNKPEEYIAZLIGN-YPMHNXCESA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1C ZINC000126277512 543927579 /nfs/dbraw/zinc/92/75/79/543927579.db2.gz BNKPEEYIAZLIGN-YPMHNXCESA-N 1 1 353.444 2.115 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[N@H+]1C1CC1 ZINC000127614250 544003725 /nfs/dbraw/zinc/00/37/25/544003725.db2.gz LWTVYKQKGABEPT-CABCVRRESA-N 1 1 373.457 2.052 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129208784 544096822 /nfs/dbraw/zinc/09/68/22/544096822.db2.gz PJQAAVOCDHLMIU-NSHDSACASA-N 1 1 361.489 2.228 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000131604190 544197814 /nfs/dbraw/zinc/19/78/14/544197814.db2.gz OMSRCZVJUVBKRO-CYBMUJFWSA-N 1 1 367.471 2.283 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000131674306 544201435 /nfs/dbraw/zinc/20/14/35/544201435.db2.gz KRRSYJIEYVCJAB-ZDUSSCGKSA-N 1 1 355.822 2.215 20 5 FEBDMO CCC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000131688037 544201762 /nfs/dbraw/zinc/20/17/62/544201762.db2.gz VBQVNOGQKGTMNQ-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000131688037 544201765 /nfs/dbraw/zinc/20/17/65/544201765.db2.gz VBQVNOGQKGTMNQ-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000131814403 544207829 /nfs/dbraw/zinc/20/78/29/544207829.db2.gz BNYKJHUUWVMWNU-CQSZACIVSA-N 1 1 371.441 2.373 20 5 FEBDMO C[C@H](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000151203328 544516332 /nfs/dbraw/zinc/51/63/32/544516332.db2.gz LYWZBQKCLRRFMI-OAHLLOKOSA-N 1 1 374.445 2.001 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)Cc1cccnc1 ZINC000152316133 544638037 /nfs/dbraw/zinc/63/80/37/544638037.db2.gz YEPOENUVWBXBGD-UHFFFAOYSA-N 1 1 358.398 2.121 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153421961 544773525 /nfs/dbraw/zinc/77/35/25/544773525.db2.gz BDFVJCRUMRFARN-KDOFPFPSSA-N 1 1 359.426 2.449 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000247530796 549351609 /nfs/dbraw/zinc/35/16/09/549351609.db2.gz OZTATBUCZXKHTJ-DZGCQCFKSA-N 1 1 353.444 2.008 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1COC(=O)CCCC[NH+]1CCOCC1 ZINC000803509987 674247201 /nfs/dbraw/zinc/24/72/01/674247201.db2.gz OYLDHEIPCFYPGX-UHFFFAOYSA-N 1 1 352.387 2.149 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183185347 327805937 /nfs/dbraw/zinc/80/59/37/327805937.db2.gz JFXNVMPTZZGDDT-QGZVFWFLSA-N 1 1 371.397 2.189 20 5 FEBDMO CSc1cccc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000188170068 328070748 /nfs/dbraw/zinc/07/07/48/328070748.db2.gz WJCANQGJYXTBSG-GFCCVEGCSA-N 1 1 353.444 2.015 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H](O)C(F)(F)F ZINC000189456841 328149389 /nfs/dbraw/zinc/14/93/89/328149389.db2.gz SFHGOBNOYSGJDH-CYBMUJFWSA-N 1 1 363.336 2.477 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000189831280 328170365 /nfs/dbraw/zinc/17/03/65/328170365.db2.gz MKDARCGWLCNKKK-UHFFFAOYSA-N 1 1 367.471 2.461 20 5 FEBDMO CC(C)C[C@]1(CO)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191645486 328275593 /nfs/dbraw/zinc/27/55/93/328275593.db2.gz RJNGXPDFLBWEJN-YJBOKZPZSA-N 1 1 352.431 2.208 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2nn(CC)cc2[N+](=O)[O-])CC1 ZINC000191813402 328283375 /nfs/dbraw/zinc/28/33/75/328283375.db2.gz VRQAFVISBPPSRP-UHFFFAOYSA-N 1 1 351.451 2.395 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000192546232 328324905 /nfs/dbraw/zinc/32/49/05/328324905.db2.gz WEORJMZXGYLXBW-UHFFFAOYSA-N 1 1 350.467 2.090 20 5 FEBDMO C[C@@H](O)CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000192822526 328341643 /nfs/dbraw/zinc/34/16/43/328341643.db2.gz ANLXBUBTRLRTAK-LSDHHAIUSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H](O)CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000192822526 328341645 /nfs/dbraw/zinc/34/16/45/328341645.db2.gz ANLXBUBTRLRTAK-LSDHHAIUSA-N 1 1 374.441 2.179 20 5 FEBDMO CNC(=O)C1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000053847034 324750443 /nfs/dbraw/zinc/75/04/43/324750443.db2.gz PFTXVNGINDBDEA-LLVKDONJSA-N 1 1 359.386 2.164 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000067429315 324888419 /nfs/dbraw/zinc/88/84/19/324888419.db2.gz QHGBEKNUHKLXHS-UHFFFAOYSA-N 1 1 367.471 2.406 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000081572268 325185193 /nfs/dbraw/zinc/18/51/93/325185193.db2.gz VOUIMRSBPQMIER-MAUKXSAKSA-N 1 1 360.458 2.364 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000237746897 328527143 /nfs/dbraw/zinc/52/71/43/328527143.db2.gz GGAGXJIGADNIHF-UHFFFAOYSA-N 1 1 355.441 2.033 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089152377 325304659 /nfs/dbraw/zinc/30/46/59/325304659.db2.gz VNLSDYHXVGSHIY-IRXDYDNUSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089152377 325304660 /nfs/dbraw/zinc/30/46/60/325304660.db2.gz VNLSDYHXVGSHIY-IRXDYDNUSA-N 1 1 363.414 2.112 20 5 FEBDMO CC(C)[C@@H](CO)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090551816 325362633 /nfs/dbraw/zinc/36/26/33/325362633.db2.gz NZDOUPRJJMHWOP-GOSISDBHSA-N 1 1 359.426 2.276 20 5 FEBDMO CCc1nn(C)c(N2CCC(CCC[N@@H+](C)CCOC)CC2)c1[N+](=O)[O-] ZINC000091680779 325389437 /nfs/dbraw/zinc/38/94/37/325389437.db2.gz PPIQZWCFDTWSSG-UHFFFAOYSA-N 1 1 367.494 2.466 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118117668 326082876 /nfs/dbraw/zinc/08/28/76/326082876.db2.gz OUMYRUAFVDGLAU-JTQLQIEISA-N 1 1 356.810 2.033 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118126409 326084139 /nfs/dbraw/zinc/08/41/39/326084139.db2.gz QCHSPRWHRQRFEP-LBPRGKRZSA-N 1 1 368.821 2.177 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000119319186 326148977 /nfs/dbraw/zinc/14/89/77/326148977.db2.gz PTTHMLJHQMFZOW-HNNXBMFYSA-N 1 1 371.441 2.488 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000121339025 326330579 /nfs/dbraw/zinc/33/05/79/326330579.db2.gz XBKBWMATJZUAST-SNVBAGLBSA-N 1 1 373.356 2.276 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000121649409 326355108 /nfs/dbraw/zinc/35/51/08/326355108.db2.gz QOAUUHXPNNTJMN-DYVFJYSZSA-N 1 1 365.455 2.232 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000121889777 326373999 /nfs/dbraw/zinc/37/39/99/326373999.db2.gz NWFQDZABPLLOSC-UHFFFAOYSA-N 1 1 357.414 2.222 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000125447208 326471854 /nfs/dbraw/zinc/47/18/54/326471854.db2.gz OIOLPBWAFZJZJQ-CHWSQXEVSA-N 1 1 367.421 2.280 20 5 FEBDMO C[NH+](C)[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000135537512 326643678 /nfs/dbraw/zinc/64/36/78/326643678.db2.gz IUVFOGFUQOYTOG-YJBOKZPZSA-N 1 1 369.425 2.306 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163809587 327059440 /nfs/dbraw/zinc/05/94/40/327059440.db2.gz AXXLFYUBXZLUJT-MRXNPFEDSA-N 1 1 369.487 2.273 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000172018605 327176282 /nfs/dbraw/zinc/17/62/82/327176282.db2.gz SLFZKLFTRYSRAK-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000172018605 327176283 /nfs/dbraw/zinc/17/62/83/327176283.db2.gz SLFZKLFTRYSRAK-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000173022034 327230846 /nfs/dbraw/zinc/23/08/46/327230846.db2.gz IQXOIIARALEKDI-JTQLQIEISA-N 1 1 359.835 2.011 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000173239843 327243386 /nfs/dbraw/zinc/24/33/86/327243386.db2.gz ZNJPWGVKOZQXKQ-SWLSCSKDSA-N 1 1 355.460 2.118 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000173260654 327244821 /nfs/dbraw/zinc/24/48/21/327244821.db2.gz IQGROOFXCAQVST-OCCSQVGLSA-N 1 1 355.460 2.254 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000173271751 327245589 /nfs/dbraw/zinc/24/55/89/327245589.db2.gz PUSHEBDUYNYXON-TZMCWYRMSA-N 1 1 355.460 2.315 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000173951634 327297249 /nfs/dbraw/zinc/29/72/49/327297249.db2.gz ZRVJAOQCPVFMAD-AWEZNQCLSA-N 1 1 355.460 2.256 20 5 FEBDMO COCCOC[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000174119949 327307331 /nfs/dbraw/zinc/30/73/31/327307331.db2.gz WPQDVGPOHBGPEL-ZDUSSCGKSA-N 1 1 362.386 2.130 20 5 FEBDMO C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174370523 327322637 /nfs/dbraw/zinc/32/26/37/327322637.db2.gz KSSHPORYZQSPKQ-KRWDZBQOSA-N 1 1 361.446 2.229 20 5 FEBDMO C[N@@H+](CCCOc1cccc(Cl)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174743543 327347708 /nfs/dbraw/zinc/34/77/08/327347708.db2.gz QNEDJWOUIKJZDF-HNNXBMFYSA-N 1 1 368.821 2.207 20 5 FEBDMO C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174743259 327347729 /nfs/dbraw/zinc/34/77/29/327347729.db2.gz FASLVGGUMFLVFH-OAHLLOKOSA-N 1 1 368.821 2.207 20 5 FEBDMO CC[C@@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000175279798 327384060 /nfs/dbraw/zinc/38/40/60/327384060.db2.gz IKQVSAVFXJFUAI-UKRRQHHQSA-N 1 1 350.419 2.212 20 5 FEBDMO CC(C)[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000265689897 329150326 /nfs/dbraw/zinc/15/03/26/329150326.db2.gz FUKIPCJKHYBWOI-KRWDZBQOSA-N 1 1 363.458 2.345 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920795 329172822 /nfs/dbraw/zinc/17/28/22/329172822.db2.gz BPTZWJQAQQGNPF-LBPRGKRZSA-N 1 1 351.403 2.074 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000266341194 329213327 /nfs/dbraw/zinc/21/33/27/329213327.db2.gz LOTBWTNLOSIXGU-LLVKDONJSA-N 1 1 361.320 2.064 20 5 FEBDMO C[C@H]([C@H](C)Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[NH+]1CCOCC1 ZINC000266365429 329215464 /nfs/dbraw/zinc/21/54/64/329215464.db2.gz KZCYNMPXPXDXEX-QWHCGFSZSA-N 1 1 364.402 2.073 20 5 FEBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267063009 329287760 /nfs/dbraw/zinc/28/77/60/329287760.db2.gz JCQDMKPGHXKPEC-QWHCGFSZSA-N 1 1 353.423 2.026 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178574 329393841 /nfs/dbraw/zinc/39/38/41/329393841.db2.gz KYGINXLRIXOSDC-CZUORRHYSA-N 1 1 358.442 2.408 20 5 FEBDMO C[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000273975840 329906509 /nfs/dbraw/zinc/90/65/09/329906509.db2.gz SMUGSIRXANUAIY-ZDUSSCGKSA-N 1 1 367.421 2.096 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000276191088 330127568 /nfs/dbraw/zinc/12/75/68/330127568.db2.gz ZRZMNGYEXRWWPT-INIZCTEOSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000276191088 330127569 /nfs/dbraw/zinc/12/75/69/330127569.db2.gz ZRZMNGYEXRWWPT-INIZCTEOSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276191088 330127571 /nfs/dbraw/zinc/12/75/71/330127571.db2.gz ZRZMNGYEXRWWPT-INIZCTEOSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276191088 330127573 /nfs/dbraw/zinc/12/75/73/330127573.db2.gz ZRZMNGYEXRWWPT-INIZCTEOSA-N 1 1 360.458 2.286 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000276433637 330151239 /nfs/dbraw/zinc/15/12/39/330151239.db2.gz QBVKNOGJOYLHHX-UHFFFAOYSA-N 1 1 350.419 2.132 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000367231704 330233556 /nfs/dbraw/zinc/23/35/56/330233556.db2.gz QKQPLHVCPCWJQQ-AWEZNQCLSA-N 1 1 362.304 2.401 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000367231704 330233557 /nfs/dbraw/zinc/23/35/57/330233557.db2.gz QKQPLHVCPCWJQQ-AWEZNQCLSA-N 1 1 362.304 2.401 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000157633126 545763183 /nfs/dbraw/zinc/76/31/83/545763183.db2.gz XHFNZNJHLWBFHF-HNNXBMFYSA-N 1 1 365.430 2.359 20 5 FEBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1C(=O)c2ccccc2C1=O ZINC000158909578 545904749 /nfs/dbraw/zinc/90/47/49/545904749.db2.gz VVIICFRPDSNFEP-UHFFFAOYSA-N 1 1 353.378 2.365 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159640413 545969426 /nfs/dbraw/zinc/96/94/26/545969426.db2.gz JDXYOXVWOWMLEP-HUBLWGQQSA-N 1 1 351.403 2.023 20 5 FEBDMO CCCc1ccc([C@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)CC(N)=O)cc1 ZINC000478434667 561166822 /nfs/dbraw/zinc/16/68/22/561166822.db2.gz YHZXURBNGUJSPS-AWEZNQCLSA-N 1 1 359.430 2.292 20 5 FEBDMO CCCc1ccc([C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC(N)=O)cc1 ZINC000478434667 561166823 /nfs/dbraw/zinc/16/68/23/561166823.db2.gz YHZXURBNGUJSPS-AWEZNQCLSA-N 1 1 359.430 2.292 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000160317140 546029819 /nfs/dbraw/zinc/02/98/19/546029819.db2.gz QTJHLWALCQTAFQ-CMDGGOBGSA-N 1 1 361.442 2.425 20 5 FEBDMO Cc1ccc(NCCCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[nH+]c1 ZINC000172362672 546249252 /nfs/dbraw/zinc/24/92/52/546249252.db2.gz IQVJWQRHSJHWDT-UHFFFAOYSA-N 1 1 354.370 2.407 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000479943781 561200005 /nfs/dbraw/zinc/20/00/05/561200005.db2.gz XESIAOBCEKPNIX-AWEZNQCLSA-N 1 1 371.441 2.409 20 5 FEBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@@H+]1CCc2sccc2C1 ZINC000175945958 546376829 /nfs/dbraw/zinc/37/68/29/546376829.db2.gz OMLNWLCQKHBVFK-NSHDSACASA-N 1 1 360.439 2.415 20 5 FEBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCc2sccc2C1 ZINC000175945958 546376833 /nfs/dbraw/zinc/37/68/33/546376833.db2.gz OMLNWLCQKHBVFK-NSHDSACASA-N 1 1 360.439 2.415 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000176674410 546476086 /nfs/dbraw/zinc/47/60/86/546476086.db2.gz ITVIGBCCLABDOK-QGZVFWFLSA-N 1 1 360.458 2.145 20 5 FEBDMO Cc1c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217245 546572069 /nfs/dbraw/zinc/57/20/69/546572069.db2.gz XPSXTWCAXCLLHS-JOYOIKCWSA-N 1 1 362.386 2.475 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH+](CC(C)C)CC1 ZINC000481974921 561246646 /nfs/dbraw/zinc/24/66/46/561246646.db2.gz UPPOWDRYYMYQIO-UHFFFAOYSA-N 1 1 355.460 2.174 20 5 FEBDMO CCC[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000179659213 546994080 /nfs/dbraw/zinc/99/40/80/546994080.db2.gz DMWZPQHITXGPMX-QGZVFWFLSA-N 1 1 371.441 2.304 20 5 FEBDMO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180410237 547104091 /nfs/dbraw/zinc/10/40/91/547104091.db2.gz RNPAHYMQHKFQDY-UONOGXRCSA-N 1 1 374.441 2.303 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000181424899 547313428 /nfs/dbraw/zinc/31/34/28/547313428.db2.gz HUVUHOBDDVFFHP-CJNGLKHVSA-N 1 1 365.430 2.415 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181919450 547405409 /nfs/dbraw/zinc/40/54/09/547405409.db2.gz LDQFDIKEAFYLJX-HNNXBMFYSA-N 1 1 369.487 2.175 20 5 FEBDMO C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000182218277 547455897 /nfs/dbraw/zinc/45/58/97/547455897.db2.gz JUQJNNLSBQFNIE-ZOBUZTSGSA-N 1 1 360.414 2.114 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccs2)CC1 ZINC000182252987 547461621 /nfs/dbraw/zinc/46/16/21/547461621.db2.gz JHHWEOKNOGLJQB-AWEZNQCLSA-N 1 1 363.439 2.218 20 5 FEBDMO CC[N@@H+](CCc1nccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182249701 547461667 /nfs/dbraw/zinc/46/16/67/547461667.db2.gz AMYOTCOARAXVEL-CYBMUJFWSA-N 1 1 351.428 2.356 20 5 FEBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000183264200 547628597 /nfs/dbraw/zinc/62/85/97/547628597.db2.gz DHQGMBUVHIVOKX-RHSMWYFYSA-N 1 1 371.397 2.034 20 5 FEBDMO COc1cccc([C@@H]2[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000183264200 547628601 /nfs/dbraw/zinc/62/86/01/547628601.db2.gz DHQGMBUVHIVOKX-RHSMWYFYSA-N 1 1 371.397 2.034 20 5 FEBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000183264255 547629442 /nfs/dbraw/zinc/62/94/42/547629442.db2.gz DHQGMBUVHIVOKX-YOEHRIQHSA-N 1 1 371.397 2.034 20 5 FEBDMO COc1cccc([C@H]2[C@@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000183264255 547629445 /nfs/dbraw/zinc/62/94/45/547629445.db2.gz DHQGMBUVHIVOKX-YOEHRIQHSA-N 1 1 371.397 2.034 20 5 FEBDMO CCC[C@H](C)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000183489139 547670259 /nfs/dbraw/zinc/67/02/59/547670259.db2.gz FRQYMXXANGUUFO-AWEZNQCLSA-N 1 1 355.460 2.337 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000184192040 547784397 /nfs/dbraw/zinc/78/43/97/547784397.db2.gz IEIDEPSRASAIQT-UHFFFAOYSA-N 1 1 373.457 2.222 20 5 FEBDMO COc1cc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184250537 547794413 /nfs/dbraw/zinc/79/44/13/547794413.db2.gz UTCBQRSRXZZNKH-ZDUSSCGKSA-N 1 1 367.421 2.428 20 5 FEBDMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000184350442 547811463 /nfs/dbraw/zinc/81/14/63/547811463.db2.gz YUHMHJSEDGIXDT-LBPRGKRZSA-N 1 1 354.838 2.004 20 5 FEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@H+]1CCO ZINC000485421207 561318830 /nfs/dbraw/zinc/31/88/30/561318830.db2.gz YQNAOZIOALSEJO-CYBMUJFWSA-N 1 1 360.389 2.299 20 5 FEBDMO C[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000185764268 548032731 /nfs/dbraw/zinc/03/27/31/548032731.db2.gz ZPNCUFUIWBLQAG-CQSZACIVSA-N 1 1 370.409 2.432 20 5 FEBDMO O=C(CCCC[NH+]1CCOCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000186021299 548073810 /nfs/dbraw/zinc/07/38/10/548073810.db2.gz CGFJNDMHAVOJQM-UHFFFAOYSA-N 1 1 355.822 2.367 20 5 FEBDMO COC(=O)c1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000237062827 548798039 /nfs/dbraw/zinc/79/80/39/548798039.db2.gz NSQZGQXGXDGYKL-GFCCVEGCSA-N 1 1 360.370 2.364 20 5 FEBDMO COC(=O)c1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000237062827 548798041 /nfs/dbraw/zinc/79/80/41/548798041.db2.gz NSQZGQXGXDGYKL-GFCCVEGCSA-N 1 1 360.370 2.364 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000245431640 548916995 /nfs/dbraw/zinc/91/69/95/548916995.db2.gz AVZWNCZAEPXFPX-ZIAGYGMSSA-N 1 1 364.446 2.204 20 5 FEBDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000245463606 548927419 /nfs/dbraw/zinc/92/74/19/548927419.db2.gz HGEWRRHFWOFNOM-BZUAXINKSA-N 1 1 354.451 2.068 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000487998461 561380759 /nfs/dbraw/zinc/38/07/59/561380759.db2.gz HSHLIKAWVOSXBF-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000487998461 561380760 /nfs/dbraw/zinc/38/07/60/561380760.db2.gz HSHLIKAWVOSXBF-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000487998461 561380761 /nfs/dbraw/zinc/38/07/61/561380761.db2.gz HSHLIKAWVOSXBF-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245539703 548942497 /nfs/dbraw/zinc/94/24/97/548942497.db2.gz HUVUHOBDDVFFHP-CZUORRHYSA-N 1 1 365.430 2.415 20 5 FEBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245644501 548965179 /nfs/dbraw/zinc/96/51/79/548965179.db2.gz LFKUIUVBCGSMED-WMLDXEAASA-N 1 1 361.423 2.319 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246445312 549134818 /nfs/dbraw/zinc/13/48/18/549134818.db2.gz BOHPKWISTYWBHB-GUYCJALGSA-N 1 1 363.414 2.433 20 5 FEBDMO COC(=O)c1cc(C)nc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488734727 561395561 /nfs/dbraw/zinc/39/55/61/561395561.db2.gz RPLHDSSHMGKVJI-LALPHHSUSA-N 1 1 362.430 2.251 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000246698926 549191204 /nfs/dbraw/zinc/19/12/04/549191204.db2.gz ZHEBPYISKVYLDU-UONOGXRCSA-N 1 1 355.460 2.315 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000246927473 549244323 /nfs/dbraw/zinc/24/43/23/549244323.db2.gz JPTKEIWYNHMEHL-KBPBESRZSA-N 1 1 363.414 2.067 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1C ZINC000246952791 549250328 /nfs/dbraw/zinc/25/03/28/549250328.db2.gz DEMVOHUDEJORMD-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000246992916 549258930 /nfs/dbraw/zinc/25/89/30/549258930.db2.gz KHYTWMHOSQBGKA-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247192930 549297181 /nfs/dbraw/zinc/29/71/81/549297181.db2.gz BMVSWHCTVYKWQN-GXTWGEPZSA-N 1 1 365.430 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000248358845 549422000 /nfs/dbraw/zinc/42/20/00/549422000.db2.gz RGTNADHUIYQESY-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000248740785 549493539 /nfs/dbraw/zinc/49/35/39/549493539.db2.gz DIMFEYNWFSOPRS-ZIAGYGMSSA-N 1 1 362.430 2.422 20 5 FEBDMO CCOC(=O)c1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000249070307 549546028 /nfs/dbraw/zinc/54/60/28/549546028.db2.gz KVLOFFJEWHSUJO-ZDUSSCGKSA-N 1 1 365.430 2.053 20 5 FEBDMO C[N@@H+]1CCC[C@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272329 549574326 /nfs/dbraw/zinc/57/43/26/549574326.db2.gz KVEAIWADEZBDKG-SUMWQHHRSA-N 1 1 364.421 2.479 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272329 549574329 /nfs/dbraw/zinc/57/43/29/549574329.db2.gz KVEAIWADEZBDKG-SUMWQHHRSA-N 1 1 364.421 2.479 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COC[C@H]1CCCO1 ZINC000250670464 549643911 /nfs/dbraw/zinc/64/39/11/549643911.db2.gz WWFABPZQJZYPJZ-QZTJIDSGSA-N 1 1 352.431 2.362 20 5 FEBDMO O=C(c1cc(N[C@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000489924919 561422497 /nfs/dbraw/zinc/42/24/97/561422497.db2.gz NEELKRMAIPALGA-AWEZNQCLSA-N 1 1 355.398 2.454 20 5 FEBDMO Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489943212 561422870 /nfs/dbraw/zinc/42/28/70/561422870.db2.gz ZUACMPSRLVFUIZ-AWEZNQCLSA-N 1 1 350.382 2.406 20 5 FEBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000261705071 549745062 /nfs/dbraw/zinc/74/50/62/549745062.db2.gz DFGXPRGHYXMULL-MRXNPFEDSA-N 1 1 371.393 2.155 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000490437272 561433105 /nfs/dbraw/zinc/43/31/05/561433105.db2.gz IBVYQAPBCVSIAN-CQSZACIVSA-N 1 1 367.471 2.231 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000269666082 550215103 /nfs/dbraw/zinc/21/51/03/550215103.db2.gz JLEGGPSEQZZORW-UKRRQHHQSA-N 1 1 364.446 2.475 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000270852256 550313707 /nfs/dbraw/zinc/31/37/07/550313707.db2.gz YCBPIDOLBFVACJ-HNNXBMFYSA-N 1 1 357.414 2.113 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272521915 550455342 /nfs/dbraw/zinc/45/53/42/550455342.db2.gz LKBYPRALCUYAOZ-KRWDZBQOSA-N 1 1 371.441 2.314 20 5 FEBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538941 550456675 /nfs/dbraw/zinc/45/66/75/550456675.db2.gz RONGCKMOZDWFHZ-STQMWFEESA-N 1 1 353.423 2.026 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277480078 550675916 /nfs/dbraw/zinc/67/59/16/550675916.db2.gz IQGGKJNNIAHKEL-CYBMUJFWSA-N 1 1 351.378 2.246 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277629724 550694321 /nfs/dbraw/zinc/69/43/21/550694321.db2.gz JHBAYJUEDVHQTC-HNNXBMFYSA-N 1 1 364.446 2.237 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278731771 550815990 /nfs/dbraw/zinc/81/59/90/550815990.db2.gz WHLBSTGOQCREJM-ZDUSSCGKSA-N 1 1 369.849 2.408 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000279254629 550870085 /nfs/dbraw/zinc/87/00/85/550870085.db2.gz SHBXCIATZOKMQS-UHFFFAOYSA-N 1 1 358.373 2.104 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000279254629 550870087 /nfs/dbraw/zinc/87/00/87/550870087.db2.gz SHBXCIATZOKMQS-UHFFFAOYSA-N 1 1 358.373 2.104 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279324192 550877797 /nfs/dbraw/zinc/87/77/97/550877797.db2.gz OJIOSCMORWEKMC-PXAZEXFGSA-N 1 1 363.414 2.431 20 5 FEBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000279388383 550884565 /nfs/dbraw/zinc/88/45/65/550884565.db2.gz KAIJFBAPNLFVMV-HNNXBMFYSA-N 1 1 373.457 2.148 20 5 FEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cccc([N+](=O)[O-])c1Br ZINC000280282150 550976496 /nfs/dbraw/zinc/97/64/96/550976496.db2.gz LTQDHWRVCYCULQ-UHFFFAOYSA-N 1 1 354.204 2.349 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280943234 551048148 /nfs/dbraw/zinc/04/81/48/551048148.db2.gz IBDCGLLHXRUYNE-IEBWSBKVSA-N 1 1 373.409 2.021 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000281523801 551108925 /nfs/dbraw/zinc/10/89/25/551108925.db2.gz VSMVKFTZZQQFHR-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000282478883 551234607 /nfs/dbraw/zinc/23/46/07/551234607.db2.gz LMGJGIHEKZZXJK-GOSISDBHSA-N 1 1 361.442 2.239 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497957989 561512382 /nfs/dbraw/zinc/51/23/82/561512382.db2.gz GGARNHZXIAUNIA-UKRRQHHQSA-N 1 1 370.409 2.336 20 5 FEBDMO C[N@@H+]1CC[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284271749 551512460 /nfs/dbraw/zinc/51/24/60/551512460.db2.gz MUXWWSDOZLCLJW-WMZOPIPTSA-N 1 1 354.410 2.229 20 5 FEBDMO C[N@H+]1CC[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284271749 551512461 /nfs/dbraw/zinc/51/24/61/551512461.db2.gz MUXWWSDOZLCLJW-WMZOPIPTSA-N 1 1 354.410 2.229 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000498566276 561528599 /nfs/dbraw/zinc/52/85/99/561528599.db2.gz DQFWDDXETAGUKE-NWDGAFQWSA-N 1 1 358.398 2.403 20 5 FEBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000286368626 551879607 /nfs/dbraw/zinc/87/96/07/551879607.db2.gz HVXULFUWUZUDJS-OAHLLOKOSA-N 1 1 363.414 2.342 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287511182 552013736 /nfs/dbraw/zinc/01/37/36/552013736.db2.gz UMXXMXNGPPXOGN-CABCVRRESA-N 1 1 374.441 2.175 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287511182 552013737 /nfs/dbraw/zinc/01/37/37/552013737.db2.gz UMXXMXNGPPXOGN-CABCVRRESA-N 1 1 374.441 2.175 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000499690393 561556260 /nfs/dbraw/zinc/55/62/60/561556260.db2.gz IDFAUBRZVVWAIS-OAHLLOKOSA-N 1 1 363.414 2.376 20 5 FEBDMO COc1ccccc1[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+](C)C ZINC000499737931 561557256 /nfs/dbraw/zinc/55/72/56/561557256.db2.gz CBSZKQODKBPCIK-OAHLLOKOSA-N 1 1 358.398 2.218 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288864688 552227177 /nfs/dbraw/zinc/22/71/77/552227177.db2.gz LHQKZELLPZDGSY-IAGOWNOFSA-N 1 1 373.457 2.415 20 5 FEBDMO CCC[C@]1(CO)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288867649 552227551 /nfs/dbraw/zinc/22/75/51/552227551.db2.gz QHIABAWLXHDJBK-SFHVURJKSA-N 1 1 365.430 2.417 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000290510230 552490726 /nfs/dbraw/zinc/49/07/26/552490726.db2.gz VDWSYGULDOUDHL-LLVKDONJSA-N 1 1 368.409 2.217 20 5 FEBDMO C[NH+](C)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC000290536747 552494299 /nfs/dbraw/zinc/49/42/99/552494299.db2.gz OUSPSFNLTKCMTM-ZDUSSCGKSA-N 1 1 363.805 2.457 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000290739683 552529097 /nfs/dbraw/zinc/52/90/97/552529097.db2.gz XIBAQJQWXIFBCI-AWEZNQCLSA-N 1 1 368.503 2.075 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN(C)CC[NH+](C)C ZINC000290739683 552529100 /nfs/dbraw/zinc/52/91/00/552529100.db2.gz XIBAQJQWXIFBCI-AWEZNQCLSA-N 1 1 368.503 2.075 20 5 FEBDMO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290914119 552560778 /nfs/dbraw/zinc/56/07/78/552560778.db2.gz HHHOZPVECFCWIY-ZFWWWQNUSA-N 1 1 369.425 2.411 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)cc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000290969251 552570287 /nfs/dbraw/zinc/57/02/87/552570287.db2.gz PPZYSGDLBSWKKT-UHFFFAOYSA-N 1 1 352.192 2.407 20 5 FEBDMO CC(C)([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000292094669 552693247 /nfs/dbraw/zinc/69/32/47/552693247.db2.gz HEKSTFXQCLYTIB-UHFFFAOYSA-N 1 1 368.393 2.405 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000292711978 552751952 /nfs/dbraw/zinc/75/19/52/552751952.db2.gz FFNVJKXIHKILII-HNNXBMFYSA-N 1 1 373.862 2.355 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000501614371 561602088 /nfs/dbraw/zinc/60/20/88/561602088.db2.gz IUDSLDSOWDKTJJ-ZDUSSCGKSA-N 1 1 367.450 2.014 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000501614371 561602089 /nfs/dbraw/zinc/60/20/89/561602089.db2.gz IUDSLDSOWDKTJJ-ZDUSSCGKSA-N 1 1 367.450 2.014 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000501614371 561602090 /nfs/dbraw/zinc/60/20/90/561602090.db2.gz IUDSLDSOWDKTJJ-ZDUSSCGKSA-N 1 1 367.450 2.014 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000501614371 561602091 /nfs/dbraw/zinc/60/20/91/561602091.db2.gz IUDSLDSOWDKTJJ-ZDUSSCGKSA-N 1 1 367.450 2.014 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000501622850 561602303 /nfs/dbraw/zinc/60/23/03/561602303.db2.gz VFGHXQOLMGOJCA-CHWSQXEVSA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000501622850 561602304 /nfs/dbraw/zinc/60/23/04/561602304.db2.gz VFGHXQOLMGOJCA-CHWSQXEVSA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000501622850 561602305 /nfs/dbraw/zinc/60/23/05/561602305.db2.gz VFGHXQOLMGOJCA-CHWSQXEVSA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000501622850 561602306 /nfs/dbraw/zinc/60/23/06/561602306.db2.gz VFGHXQOLMGOJCA-CHWSQXEVSA-N 1 1 357.414 2.361 20 5 FEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)Cc1ccccc1 ZINC000293491586 552829210 /nfs/dbraw/zinc/82/92/10/552829210.db2.gz ZBZPYIXTQBMBNI-GOSISDBHSA-N 1 1 358.394 2.497 20 5 FEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H](O)Cc1ccccc1 ZINC000293491586 552829211 /nfs/dbraw/zinc/82/92/11/552829211.db2.gz ZBZPYIXTQBMBNI-GOSISDBHSA-N 1 1 358.394 2.497 20 5 FEBDMO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)[N@@H+]1C ZINC000294046382 552877728 /nfs/dbraw/zinc/87/77/28/552877728.db2.gz SYFPKQJVXUQKMW-GASCZTMLSA-N 1 1 360.458 2.362 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C2)C1 ZINC000294113690 552882789 /nfs/dbraw/zinc/88/27/89/552882789.db2.gz LJKHWUWFGGRYJG-LJQANCHMSA-N 1 1 369.425 2.338 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000295016115 552951451 /nfs/dbraw/zinc/95/14/51/552951451.db2.gz PXCZBJINCKLQCD-CYBMUJFWSA-N 1 1 368.865 2.312 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)c1ccccc1Br ZINC000295239696 552974166 /nfs/dbraw/zinc/97/41/66/552974166.db2.gz DKLONXCUHNWDET-CYBMUJFWSA-N 1 1 369.219 2.219 20 5 FEBDMO Cn1cnc2cc(C[NH+]3CCN(c4ncccc4[N+](=O)[O-])CC3)ccc21 ZINC000296048869 553096033 /nfs/dbraw/zinc/09/60/33/553096033.db2.gz PKLIGZCUAVAJBM-UHFFFAOYSA-N 1 1 352.398 2.199 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])c(C)n3)C2)cc(OC)c1 ZINC000297612664 553315761 /nfs/dbraw/zinc/31/57/61/553315761.db2.gz VTCSFBWPYRFHOA-CQSZACIVSA-N 1 1 373.413 2.397 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])c(C)n3)C2)cc(OC)c1 ZINC000297612657 553315821 /nfs/dbraw/zinc/31/58/21/553315821.db2.gz VTCSFBWPYRFHOA-AWEZNQCLSA-N 1 1 373.413 2.397 20 5 FEBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncnn1C(C)(C)C ZINC000503125100 561635062 /nfs/dbraw/zinc/63/50/62/561635062.db2.gz ZQLGATZRAYOZAU-GFCCVEGCSA-N 1 1 360.418 2.448 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298047557 553376876 /nfs/dbraw/zinc/37/68/76/553376876.db2.gz HMKAAMBDZWMUEY-NSHDSACASA-N 1 1 368.821 2.177 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)Cc1ccccc1 ZINC000298061843 553378775 /nfs/dbraw/zinc/37/87/75/553378775.db2.gz IUGJQBYOVMSYCO-UHFFFAOYSA-N 1 1 373.409 2.427 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000299016296 553503699 /nfs/dbraw/zinc/50/36/99/553503699.db2.gz GYYXITFYSWQRRM-QGZVFWFLSA-N 1 1 368.393 2.297 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000299016296 553503700 /nfs/dbraw/zinc/50/37/00/553503700.db2.gz GYYXITFYSWQRRM-QGZVFWFLSA-N 1 1 368.393 2.297 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000299167237 553524368 /nfs/dbraw/zinc/52/43/68/553524368.db2.gz XXEDTKFBMOIYHO-OAHLLOKOSA-N 1 1 374.441 2.283 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000299225135 553533026 /nfs/dbraw/zinc/53/30/26/553533026.db2.gz IYDUUHCDWMYKOK-CVEARBPZSA-N 1 1 374.441 2.315 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000299300431 553544732 /nfs/dbraw/zinc/54/47/32/553544732.db2.gz NRMSEKZJHJGVOH-QGZVFWFLSA-N 1 1 371.441 2.271 20 5 FEBDMO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@H+]1CCc2ccccc2C1 ZINC000301105917 553622429 /nfs/dbraw/zinc/62/24/29/553622429.db2.gz NFSFDUAVKCDCLV-OAHLLOKOSA-N 1 1 356.430 2.462 20 5 FEBDMO CC[N@@H+]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301231422 553633296 /nfs/dbraw/zinc/63/32/96/553633296.db2.gz FNMQBKPFHOKIHD-UHFFFAOYSA-N 1 1 363.386 2.123 20 5 FEBDMO CC[N@H+]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301231422 553633297 /nfs/dbraw/zinc/63/32/97/553633297.db2.gz FNMQBKPFHOKIHD-UHFFFAOYSA-N 1 1 363.386 2.123 20 5 FEBDMO Cc1cccc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1[N+](=O)[O-] ZINC000302488159 553718424 /nfs/dbraw/zinc/71/84/24/553718424.db2.gz IZGQIAZIMWCJFI-QGZVFWFLSA-N 1 1 362.474 2.134 20 5 FEBDMO C[NH+](C)C1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000326522317 553781213 /nfs/dbraw/zinc/78/12/13/553781213.db2.gz FBNMUEMRULRHPU-UHFFFAOYSA-N 1 1 359.423 2.277 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000331314272 554246002 /nfs/dbraw/zinc/24/60/02/554246002.db2.gz WVCUQOYIGNGZEY-UONOGXRCSA-N 1 1 355.460 2.302 20 5 FEBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1[N+](=O)[O-] ZINC000331906524 554344030 /nfs/dbraw/zinc/34/40/30/554344030.db2.gz KFBGKXSFOLFAFK-HDMKZQKVSA-N 1 1 350.415 2.355 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000332224650 554404474 /nfs/dbraw/zinc/40/44/74/554404474.db2.gz LTGDEXAZJZJEEQ-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000332329937 554426908 /nfs/dbraw/zinc/42/69/08/554426908.db2.gz PETXDLDXFKSXIQ-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO COC(=O)c1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000332526351 554462915 /nfs/dbraw/zinc/46/29/15/554462915.db2.gz OUZZRNAOJKSGOI-WFASDCNBSA-N 1 1 361.398 2.080 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC(=O)Nc1ccccc1 ZINC000511103476 561857167 /nfs/dbraw/zinc/85/71/67/561857167.db2.gz BCMSVUTYCOFERZ-UHFFFAOYSA-N 1 1 356.382 2.417 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC(=O)Nc1ccccc1 ZINC000511103476 561857169 /nfs/dbraw/zinc/85/71/69/561857169.db2.gz BCMSVUTYCOFERZ-UHFFFAOYSA-N 1 1 356.382 2.417 20 5 FEBDMO C[N@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000511115126 561857803 /nfs/dbraw/zinc/85/78/03/561857803.db2.gz KOWXQBRSMHBSOJ-UHFFFAOYSA-N 1 1 355.394 2.416 20 5 FEBDMO C[N@@H+](CCC(=O)NCC(=O)c1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000511115126 561857804 /nfs/dbraw/zinc/85/78/04/561857804.db2.gz KOWXQBRSMHBSOJ-UHFFFAOYSA-N 1 1 355.394 2.416 20 5 FEBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000360682341 554885319 /nfs/dbraw/zinc/88/53/19/554885319.db2.gz UEPTWHCREZNYGV-CABCVRRESA-N 1 1 355.398 2.197 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000362709309 554982958 /nfs/dbraw/zinc/98/29/58/554982958.db2.gz DQFKXYVVHLQZKI-HNNXBMFYSA-N 1 1 367.409 2.443 20 5 FEBDMO COc1cc(OCC(=O)N2CCC[N@@H+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000362739341 554985954 /nfs/dbraw/zinc/98/59/54/554985954.db2.gz ZPBQSJUVJYMUKY-UHFFFAOYSA-N 1 1 365.430 2.173 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1CN1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000362850325 554993429 /nfs/dbraw/zinc/99/34/29/554993429.db2.gz IDMSMNIITCQPGT-UHFFFAOYSA-N 1 1 358.324 2.450 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000362850325 554993430 /nfs/dbraw/zinc/99/34/30/554993430.db2.gz IDMSMNIITCQPGT-UHFFFAOYSA-N 1 1 358.324 2.450 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000363405063 555097361 /nfs/dbraw/zinc/09/73/61/555097361.db2.gz CFDJAQYUFKPMGL-LSBZLQRGSA-N 1 1 372.469 2.194 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000363424213 555102234 /nfs/dbraw/zinc/10/22/34/555102234.db2.gz PMQNMCSCHPMJJJ-IFIJOSMWSA-N 1 1 365.405 2.353 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363632843 555151074 /nfs/dbraw/zinc/15/10/74/555151074.db2.gz JRBVFUAHOIEYFE-IAGOWNOFSA-N 1 1 360.414 2.009 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363632843 555151076 /nfs/dbraw/zinc/15/10/76/555151076.db2.gz JRBVFUAHOIEYFE-IAGOWNOFSA-N 1 1 360.414 2.009 20 5 FEBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364044403 555239226 /nfs/dbraw/zinc/23/92/26/555239226.db2.gz XAEGXDBAICIQLC-CHWSQXEVSA-N 1 1 362.386 2.476 20 5 FEBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451235 555316765 /nfs/dbraw/zinc/31/67/65/555316765.db2.gz XMDLDGNAIYCKNU-MJGOQNOKSA-N 1 1 353.378 2.224 20 5 FEBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512458173 561905836 /nfs/dbraw/zinc/90/58/36/561905836.db2.gz YSFXABBFJOVFRO-ZBFHGGJFSA-N 1 1 361.442 2.499 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@]1=O ZINC000512485809 561907226 /nfs/dbraw/zinc/90/72/26/561907226.db2.gz JFYULDZYTSVNIJ-ZITCRZFISA-N 1 1 353.444 2.155 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@]1=O ZINC000512485809 561907227 /nfs/dbraw/zinc/90/72/27/561907227.db2.gz JFYULDZYTSVNIJ-ZITCRZFISA-N 1 1 353.444 2.155 20 5 FEBDMO CN(C(=O)C[N@@H+]1CCCC[C@H]1Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000364742839 555391560 /nfs/dbraw/zinc/39/15/60/555391560.db2.gz MWAPLUOIWDBSGI-KRWDZBQOSA-N 1 1 357.414 2.309 20 5 FEBDMO CN(C(=O)C[N@H+]1CCCC[C@H]1Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000364742839 555391561 /nfs/dbraw/zinc/39/15/61/555391561.db2.gz MWAPLUOIWDBSGI-KRWDZBQOSA-N 1 1 357.414 2.309 20 5 FEBDMO O=C(C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1)N1CCCC1 ZINC000364901781 555431633 /nfs/dbraw/zinc/43/16/33/555431633.db2.gz NPACQZXPLFQETQ-UHFFFAOYSA-N 1 1 367.837 2.142 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@H](COC(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512805614 561916176 /nfs/dbraw/zinc/91/61/76/561916176.db2.gz JMORBICGPSMAFV-LLVKDONJSA-N 1 1 355.341 2.045 20 5 FEBDMO O=C(C[N@H+]1CC[C@@H](COC(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512805614 561916177 /nfs/dbraw/zinc/91/61/77/561916177.db2.gz JMORBICGPSMAFV-LLVKDONJSA-N 1 1 355.341 2.045 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000365026520 555467895 /nfs/dbraw/zinc/46/78/95/555467895.db2.gz LDGHKWSZIXAPMD-INIZCTEOSA-N 1 1 369.425 2.062 20 5 FEBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000365217292 555513298 /nfs/dbraw/zinc/51/32/98/555513298.db2.gz PEDZOJMFHDVQGC-IJDCCNJMSA-N 1 1 359.426 2.321 20 5 FEBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000365652220 555632897 /nfs/dbraw/zinc/63/28/97/555632897.db2.gz ZZDZJDDMXRJUDM-ZFWWWQNUSA-N 1 1 350.806 2.190 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366117956 555757239 /nfs/dbraw/zinc/75/72/39/555757239.db2.gz GONYPCIZANEKEC-BBRMVZONSA-N 1 1 355.398 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000366621971 555893105 /nfs/dbraw/zinc/89/31/05/555893105.db2.gz HRGHARDEODPOGW-JJTKIYQPSA-N 1 1 374.485 2.346 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2F)C[C@H](C)O1 ZINC000366699642 555911880 /nfs/dbraw/zinc/91/18/80/555911880.db2.gz KGKORYMBRINTLU-MJBXVCDLSA-N 1 1 365.405 2.448 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2F)C[C@H](C)O1 ZINC000366699642 555911882 /nfs/dbraw/zinc/91/18/82/555911882.db2.gz KGKORYMBRINTLU-MJBXVCDLSA-N 1 1 365.405 2.448 20 5 FEBDMO O=c1cc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)c2c(ccc3ccccc32)o1 ZINC000366763325 555927814 /nfs/dbraw/zinc/92/78/14/555927814.db2.gz ZDQSZFREDLRQTB-DLBZAZTESA-N 1 1 364.401 2.036 20 5 FEBDMO Cc1cc(OCC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000366776915 555931682 /nfs/dbraw/zinc/93/16/82/555931682.db2.gz NURCMJCRJZFGMJ-UHFFFAOYSA-N 1 1 372.425 2.497 20 5 FEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367437472 556048440 /nfs/dbraw/zinc/04/84/40/556048440.db2.gz WNMUGOGPAWJRGI-KDOFPFPSSA-N 1 1 360.458 2.260 20 5 FEBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000367641468 556103470 /nfs/dbraw/zinc/10/34/70/556103470.db2.gz FWGFFHRJRAXSQX-UHFFFAOYSA-N 1 1 367.365 2.311 20 5 FEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3cc(F)ccc3F)CC2)n1 ZINC000368474758 556320191 /nfs/dbraw/zinc/32/01/91/556320191.db2.gz PKFFIEFIMQISSH-HNNXBMFYSA-N 1 1 352.341 2.440 20 5 FEBDMO Cn1cc([C@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000515552348 562014996 /nfs/dbraw/zinc/01/49/96/562014996.db2.gz DUCBJDJLQSRJFT-JKSUJKDBSA-N 1 1 374.441 2.194 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000368964546 556461069 /nfs/dbraw/zinc/46/10/69/556461069.db2.gz GLXMHBGNIQKJER-NVXWUHKLSA-N 1 1 363.458 2.079 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000369007792 556474734 /nfs/dbraw/zinc/47/47/34/556474734.db2.gz AYUUWUCTJLOSCQ-INIZCTEOSA-N 1 1 362.430 2.372 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000369007792 556474735 /nfs/dbraw/zinc/47/47/35/556474735.db2.gz AYUUWUCTJLOSCQ-INIZCTEOSA-N 1 1 362.430 2.372 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369272321 556558612 /nfs/dbraw/zinc/55/86/12/556558612.db2.gz AYYJQNAGCQYMQM-LBPRGKRZSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369272321 556558613 /nfs/dbraw/zinc/55/86/13/556558613.db2.gz AYYJQNAGCQYMQM-LBPRGKRZSA-N 1 1 366.849 2.147 20 5 FEBDMO COC(=O)[C@]12C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]1COCC2 ZINC000369541922 556625566 /nfs/dbraw/zinc/62/55/66/556625566.db2.gz QVNZJRJRICUUAK-BLLLJJGKSA-N 1 1 354.790 2.260 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000369573316 556635004 /nfs/dbraw/zinc/63/50/04/556635004.db2.gz KPLTURRCWDJFQX-LRDDRELGSA-N 1 1 363.443 2.052 20 5 FEBDMO C[NH+](C)[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000369688127 556669054 /nfs/dbraw/zinc/66/90/54/556669054.db2.gz IFHYQXTZLSHPJZ-HXUWFJFHSA-N 1 1 369.421 2.493 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000516335970 562040239 /nfs/dbraw/zinc/04/02/39/562040239.db2.gz OXDBRFQZURUKPN-JTQLQIEISA-N 1 1 359.835 2.072 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000516335970 562040240 /nfs/dbraw/zinc/04/02/40/562040240.db2.gz OXDBRFQZURUKPN-JTQLQIEISA-N 1 1 359.835 2.072 20 5 FEBDMO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000369784823 556694401 /nfs/dbraw/zinc/69/44/01/556694401.db2.gz RMOHCKUXZZQAHN-AEFFLSMTSA-N 1 1 350.415 2.288 20 5 FEBDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000369784823 556694402 /nfs/dbraw/zinc/69/44/02/556694402.db2.gz RMOHCKUXZZQAHN-AEFFLSMTSA-N 1 1 350.415 2.288 20 5 FEBDMO COC[C@H]1CCCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000369940860 556736470 /nfs/dbraw/zinc/73/64/70/556736470.db2.gz XXJMODMHGODEBH-AWEZNQCLSA-N 1 1 356.444 2.117 20 5 FEBDMO COC[C@H]1CCCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000369940860 556736473 /nfs/dbraw/zinc/73/64/73/556736473.db2.gz XXJMODMHGODEBH-AWEZNQCLSA-N 1 1 356.444 2.117 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000370446646 556875791 /nfs/dbraw/zinc/87/57/91/556875791.db2.gz GCFRXZYUNBIFCY-LBPRGKRZSA-N 1 1 367.377 2.194 20 5 FEBDMO Cn1cc([C@H]2[C@H](CNC(=O)c3csc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000370920077 557015874 /nfs/dbraw/zinc/01/58/74/557015874.db2.gz YVQFZRYJHALZKM-XHDPSFHLSA-N 1 1 363.443 2.203 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000371276853 557128739 /nfs/dbraw/zinc/12/87/39/557128739.db2.gz AVLOTRGUHSCNMB-JKSUJKDBSA-N 1 1 374.441 2.152 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000371276853 557128741 /nfs/dbraw/zinc/12/87/41/557128741.db2.gz AVLOTRGUHSCNMB-JKSUJKDBSA-N 1 1 374.441 2.152 20 5 FEBDMO COc1cc(C(=O)NCc2[nH+]c(C)n3c2CCCC3)c([N+](=O)[O-])cc1OC ZINC000371300126 557137066 /nfs/dbraw/zinc/13/70/66/557137066.db2.gz NAEWWSXVUXEEPC-UHFFFAOYSA-N 1 1 374.397 2.383 20 5 FEBDMO CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371306520 557139188 /nfs/dbraw/zinc/13/91/88/557139188.db2.gz VXYCJCGVOMBCEP-KRWDZBQOSA-N 1 1 362.474 2.074 20 5 FEBDMO CN(CCOc1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371306520 557139191 /nfs/dbraw/zinc/13/91/91/557139191.db2.gz VXYCJCGVOMBCEP-KRWDZBQOSA-N 1 1 362.474 2.074 20 5 FEBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371492064 557199009 /nfs/dbraw/zinc/19/90/09/557199009.db2.gz AKGDGIVLNZIJMU-NVXWUHKLSA-N 1 1 371.441 2.208 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000371610627 557238762 /nfs/dbraw/zinc/23/87/62/557238762.db2.gz DZKDMAVKKBRYDV-OAHLLOKOSA-N 1 1 369.425 2.214 20 5 FEBDMO CC(C)NC(=O)C[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000371723233 557274515 /nfs/dbraw/zinc/27/45/15/557274515.db2.gz YAWWIUJQBFVWEI-UHFFFAOYSA-N 1 1 368.865 2.281 20 5 FEBDMO CC(C)NC(=O)C[N@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000371723233 557274516 /nfs/dbraw/zinc/27/45/16/557274516.db2.gz YAWWIUJQBFVWEI-UHFFFAOYSA-N 1 1 368.865 2.281 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000518853614 562119838 /nfs/dbraw/zinc/11/98/38/562119838.db2.gz UYCWTMLXXUSWFS-XQQFMLRXSA-N 1 1 363.414 2.420 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)cc3F)C2)c1 ZINC000372280738 557428731 /nfs/dbraw/zinc/42/87/31/557428731.db2.gz FWBWFTLMFJJAAZ-BLLLJJGKSA-N 1 1 352.341 2.440 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000372558196 557505020 /nfs/dbraw/zinc/50/50/20/557505020.db2.gz RQNVDKCQAKWKTL-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373112982 557631327 /nfs/dbraw/zinc/63/13/27/557631327.db2.gz PDPXOLLLLUIVHT-RHSMWYFYSA-N 1 1 373.413 2.189 20 5 FEBDMO C[C@@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000373400642 557687056 /nfs/dbraw/zinc/68/70/56/557687056.db2.gz YUPJNEKGVCOFOR-WMLDXEAASA-N 1 1 357.414 2.111 20 5 FEBDMO C[C@@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000373400642 557687057 /nfs/dbraw/zinc/68/70/57/557687057.db2.gz YUPJNEKGVCOFOR-WMLDXEAASA-N 1 1 357.414 2.111 20 5 FEBDMO CCOC(=O)C1(COC)CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000373841735 557771532 /nfs/dbraw/zinc/77/15/32/557771532.db2.gz NFSOXSHHPNRPBE-UHFFFAOYSA-N 1 1 366.414 2.395 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccco1 ZINC000374566654 557900456 /nfs/dbraw/zinc/90/04/56/557900456.db2.gz RMPPBYKRUGKAKL-WMLDXEAASA-N 1 1 373.409 2.363 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000374717365 557920834 /nfs/dbraw/zinc/92/08/34/557920834.db2.gz MOBGDQZJPCKXPL-YOEHRIQHSA-N 1 1 352.398 2.288 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000374763795 557927451 /nfs/dbraw/zinc/92/74/51/557927451.db2.gz QFTOTLAIPGHRFN-UOIKSKOESA-N 1 1 370.384 2.176 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000375038735 557968098 /nfs/dbraw/zinc/96/80/98/557968098.db2.gz LVOPSONJDKXPAF-XHDPSFHLSA-N 1 1 352.822 2.213 20 5 FEBDMO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000375401359 558021211 /nfs/dbraw/zinc/02/12/11/558021211.db2.gz GNONLADQHVESSP-BBRMVZONSA-N 1 1 361.446 2.218 20 5 FEBDMO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000375401359 558021212 /nfs/dbraw/zinc/02/12/12/558021212.db2.gz GNONLADQHVESSP-BBRMVZONSA-N 1 1 361.446 2.218 20 5 FEBDMO C[N@@H+](CCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C1CCCCC1 ZINC000521385922 562175421 /nfs/dbraw/zinc/17/54/21/562175421.db2.gz NYEHXUYGAGUPHN-UHFFFAOYSA-N 1 1 370.475 2.309 20 5 FEBDMO O=C1[C@H]([N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C1CCOCC1 ZINC000375669529 558064836 /nfs/dbraw/zinc/06/48/36/558064836.db2.gz SGFJNPNMLKJKLL-GOSISDBHSA-N 1 1 359.426 2.339 20 5 FEBDMO O=C1[C@H]([N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C1CCOCC1 ZINC000375669529 558064838 /nfs/dbraw/zinc/06/48/38/558064838.db2.gz SGFJNPNMLKJKLL-GOSISDBHSA-N 1 1 359.426 2.339 20 5 FEBDMO O=c1[nH]c(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376218956 558143343 /nfs/dbraw/zinc/14/33/43/558143343.db2.gz LWGVMNAJYQIDPT-PEYYIBSZSA-N 1 1 355.398 2.164 20 5 FEBDMO CCc1cc(NCC[N@@H+]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000522275568 562196021 /nfs/dbraw/zinc/19/60/21/562196021.db2.gz OZFDYXHFTHSBLU-AWEZNQCLSA-N 1 1 371.441 2.169 20 5 FEBDMO CCc1cc(NCC[N@H+]2CCO[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000522275568 562196022 /nfs/dbraw/zinc/19/60/22/562196022.db2.gz OZFDYXHFTHSBLU-AWEZNQCLSA-N 1 1 371.441 2.169 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000377753286 558411881 /nfs/dbraw/zinc/41/18/81/558411881.db2.gz DWCKSLBEKJUOOO-ZDUSSCGKSA-N 1 1 358.402 2.057 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCCS(=O)(=O)C3)cs2)c1 ZINC000522891680 562205535 /nfs/dbraw/zinc/20/55/35/562205535.db2.gz VJCNAGRBWLZZFL-GFCCVEGCSA-N 1 1 367.452 2.385 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000378343972 558534035 /nfs/dbraw/zinc/53/40/35/558534035.db2.gz WFWRAQWNYKGSMK-UONOGXRCSA-N 1 1 370.409 2.126 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000378343972 558534037 /nfs/dbraw/zinc/53/40/37/558534037.db2.gz WFWRAQWNYKGSMK-UONOGXRCSA-N 1 1 370.409 2.126 20 5 FEBDMO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000523649450 562216609 /nfs/dbraw/zinc/21/66/09/562216609.db2.gz OLUBLODWZVOTNX-UKRRQHHQSA-N 1 1 363.414 2.046 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1C ZINC000408061672 558642168 /nfs/dbraw/zinc/64/21/68/558642168.db2.gz LJAQDDOLCCSSBW-GJZGRUSLSA-N 1 1 353.444 2.117 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000408371943 558671610 /nfs/dbraw/zinc/67/16/10/558671610.db2.gz GODUSSWQSKTECD-GDBMZVCRSA-N 1 1 367.471 2.262 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000411401365 558888307 /nfs/dbraw/zinc/88/83/07/558888307.db2.gz XHYDFKMEGQXKRA-LRDDRELGSA-N 1 1 351.403 2.025 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411549173 558915030 /nfs/dbraw/zinc/91/50/30/558915030.db2.gz ZUKMZFADZZABCA-AWEZNQCLSA-N 1 1 364.446 2.387 20 5 FEBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525687602 562252231 /nfs/dbraw/zinc/25/22/31/562252231.db2.gz BXCHEBQVQFYJHV-CYBMUJFWSA-N 1 1 370.475 2.169 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000411626475 558931483 /nfs/dbraw/zinc/93/14/83/558931483.db2.gz WTMYHNAUXKJHMH-XEZPLFJOSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000411652564 558936164 /nfs/dbraw/zinc/93/61/64/558936164.db2.gz UUTUXXCNLSYXER-UONOGXRCSA-N 1 1 365.430 2.415 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000411875855 558980608 /nfs/dbraw/zinc/98/06/08/558980608.db2.gz PIBJFSCMWQKBSM-HNNXBMFYSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CCN(C(C)C)C1 ZINC000411875855 558980609 /nfs/dbraw/zinc/98/06/09/558980609.db2.gz PIBJFSCMWQKBSM-HNNXBMFYSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C(C)C)C1 ZINC000411875855 558980610 /nfs/dbraw/zinc/98/06/10/558980610.db2.gz PIBJFSCMWQKBSM-HNNXBMFYSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411965594 558996457 /nfs/dbraw/zinc/99/64/57/558996457.db2.gz ANMRDNMCISRPDY-SJORKVTESA-N 1 1 355.394 2.304 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412054829 559007347 /nfs/dbraw/zinc/00/73/47/559007347.db2.gz JNDYJWVIOYBAGP-CABCVRRESA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412054829 559007349 /nfs/dbraw/zinc/00/73/49/559007349.db2.gz JNDYJWVIOYBAGP-CABCVRRESA-N 1 1 374.441 2.399 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000412113212 559014912 /nfs/dbraw/zinc/01/49/12/559014912.db2.gz XHHIVXWUSOUZOK-QGZVFWFLSA-N 1 1 350.371 2.236 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000412113212 559014913 /nfs/dbraw/zinc/01/49/13/559014913.db2.gz XHHIVXWUSOUZOK-QGZVFWFLSA-N 1 1 350.371 2.236 20 5 FEBDMO CCOc1cc(NCC2([NH+]3CCOCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000413402602 559105368 /nfs/dbraw/zinc/10/53/68/559105368.db2.gz MQGWLZNDKSMSOU-UHFFFAOYSA-N 1 1 365.430 2.287 20 5 FEBDMO COC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+](C)C1 ZINC000414479917 559167925 /nfs/dbraw/zinc/16/79/25/559167925.db2.gz ADCZFQRUOKFUIG-AWEZNQCLSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414479917 559167926 /nfs/dbraw/zinc/16/79/26/559167926.db2.gz ADCZFQRUOKFUIG-AWEZNQCLSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414479917 559167927 /nfs/dbraw/zinc/16/79/27/559167927.db2.gz ADCZFQRUOKFUIG-AWEZNQCLSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+](C)C1 ZINC000414484825 559168173 /nfs/dbraw/zinc/16/81/73/559168173.db2.gz HFNGJSBPLOWHDQ-HNNXBMFYSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414484825 559168174 /nfs/dbraw/zinc/16/81/74/559168174.db2.gz HFNGJSBPLOWHDQ-HNNXBMFYSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414484825 559168175 /nfs/dbraw/zinc/16/81/75/559168175.db2.gz HFNGJSBPLOWHDQ-HNNXBMFYSA-N 1 1 373.409 2.391 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416421560 559311936 /nfs/dbraw/zinc/31/19/36/559311936.db2.gz DHNVQINQFXDBJM-QWHCGFSZSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416991756 559342528 /nfs/dbraw/zinc/34/25/28/559342528.db2.gz CRGDZGSQABRUFA-KBPBESRZSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416991756 559342529 /nfs/dbraw/zinc/34/25/29/559342529.db2.gz CRGDZGSQABRUFA-KBPBESRZSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000420476022 559489666 /nfs/dbraw/zinc/48/96/66/559489666.db2.gz HQMWSHJVAQIFMB-QGZVFWFLSA-N 1 1 361.423 2.238 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421020626 559519886 /nfs/dbraw/zinc/51/98/86/559519886.db2.gz RGOBCOFGONYAKF-AWEZNQCLSA-N 1 1 365.430 2.417 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421020626 559519887 /nfs/dbraw/zinc/51/98/87/559519887.db2.gz RGOBCOFGONYAKF-AWEZNQCLSA-N 1 1 365.430 2.417 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421023079 559520304 /nfs/dbraw/zinc/52/03/04/559520304.db2.gz VVWFMKMRWZBPQZ-CQSZACIVSA-N 1 1 365.430 2.417 20 5 FEBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000527304256 562284582 /nfs/dbraw/zinc/28/45/82/562284582.db2.gz LFMKITRLQSNOBM-OVHOFWQVSA-N 1 1 353.444 2.012 20 5 FEBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000527304256 562284583 /nfs/dbraw/zinc/28/45/83/562284583.db2.gz LFMKITRLQSNOBM-OVHOFWQVSA-N 1 1 353.444 2.012 20 5 FEBDMO CC(C)(C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423956530 559647904 /nfs/dbraw/zinc/64/79/04/559647904.db2.gz URUAAZPKZKCRKU-UHFFFAOYSA-N 1 1 374.485 2.205 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425044763 559684969 /nfs/dbraw/zinc/68/49/69/559684969.db2.gz RZDUVRHVQAPFEY-UHFFFAOYSA-N 1 1 364.431 2.194 20 5 FEBDMO COC(=O)C[C@]1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000425430810 559701920 /nfs/dbraw/zinc/70/19/20/559701920.db2.gz GOHGBUOEVYHZFP-CQSZACIVSA-N 1 1 373.203 2.169 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000425478827 559704497 /nfs/dbraw/zinc/70/44/97/559704497.db2.gz NESYJJKXRBTIEW-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C[C@H]1C(C)C ZINC000425478827 559704498 /nfs/dbraw/zinc/70/44/98/559704498.db2.gz NESYJJKXRBTIEW-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000425478827 559704499 /nfs/dbraw/zinc/70/44/99/559704499.db2.gz NESYJJKXRBTIEW-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(NC[C@H](c3ccccc3)[NH+]3CCOCC3)nc2c1 ZINC000427978923 559766836 /nfs/dbraw/zinc/76/68/36/559766836.db2.gz FULXANZTLUIXNU-GOSISDBHSA-N 1 1 367.409 2.378 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(NCc3cccc(C[NH+]4CCOCC4)c3)nc2c1 ZINC000427997037 559767203 /nfs/dbraw/zinc/76/72/03/559767203.db2.gz QJIHHFKXESWTGX-UHFFFAOYSA-N 1 1 367.409 2.337 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3cc[nH+]c(N4CCCCC4)n3)C2)nc1 ZINC000428160517 559770785 /nfs/dbraw/zinc/77/07/85/559770785.db2.gz CRJOONSXJYDBFP-AWEZNQCLSA-N 1 1 369.429 2.461 20 5 FEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988668 559787507 /nfs/dbraw/zinc/78/75/07/559787507.db2.gz AKLUWSOZYNPPCB-VCBZYWHSSA-N 1 1 372.469 2.146 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180029 559853572 /nfs/dbraw/zinc/85/35/72/559853572.db2.gz TXRJDOXHQGUFOZ-UKRRQHHQSA-N 1 1 372.425 2.320 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cc1ccccc1 ZINC000433058732 559870796 /nfs/dbraw/zinc/87/07/96/559870796.db2.gz RBOYOJBVLQMHCV-GOSISDBHSA-N 1 1 357.410 2.459 20 5 FEBDMO CC(C)c1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1[N+](=O)[O-] ZINC000433749534 559887303 /nfs/dbraw/zinc/88/73/03/559887303.db2.gz WFMTVBPHZTYIIR-UHFFFAOYSA-N 1 1 360.418 2.040 20 5 FEBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000439478802 559995037 /nfs/dbraw/zinc/99/50/37/559995037.db2.gz ODNAYIWWPPMOLI-GOSISDBHSA-N 1 1 350.415 2.429 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000440066971 560004108 /nfs/dbraw/zinc/00/41/08/560004108.db2.gz YLKUYSMCURPWOY-GXTWGEPZSA-N 1 1 355.460 2.302 20 5 FEBDMO CC(C)c1ncc(C[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000440464431 560011554 /nfs/dbraw/zinc/01/15/54/560011554.db2.gz GCWNXAGWLPMERE-OAHLLOKOSA-N 1 1 360.414 2.380 20 5 FEBDMO CC(C)c1ncc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000440464431 560011555 /nfs/dbraw/zinc/01/15/55/560011555.db2.gz GCWNXAGWLPMERE-OAHLLOKOSA-N 1 1 360.414 2.380 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000440516864 560013295 /nfs/dbraw/zinc/01/32/95/560013295.db2.gz RTNXSHVHXMDKIE-FQEVSTJZSA-N 1 1 369.421 2.270 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443330702 560080201 /nfs/dbraw/zinc/08/02/01/560080201.db2.gz DJFZZNNGTBXJPC-HEHGZKQESA-N 1 1 365.430 2.413 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443330702 560080203 /nfs/dbraw/zinc/08/02/03/560080203.db2.gz DJFZZNNGTBXJPC-HEHGZKQESA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CCc3ncsc3C2)c([N+](=O)[O-])c1 ZINC000445869871 560135851 /nfs/dbraw/zinc/13/58/51/560135851.db2.gz UKZIWNMVJNXCDZ-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3ncsc3C2)c([N+](=O)[O-])c1 ZINC000445869871 560135852 /nfs/dbraw/zinc/13/58/52/560135852.db2.gz UKZIWNMVJNXCDZ-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447933926 560173879 /nfs/dbraw/zinc/17/38/79/560173879.db2.gz YSYWUGPWCGNHDP-OAHLLOKOSA-N 1 1 355.460 2.302 20 5 FEBDMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000447940181 560173980 /nfs/dbraw/zinc/17/39/80/560173980.db2.gz NSKYTOIGXRLHIZ-AWEZNQCLSA-N 1 1 359.423 2.133 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000447940181 560173981 /nfs/dbraw/zinc/17/39/81/560173981.db2.gz NSKYTOIGXRLHIZ-AWEZNQCLSA-N 1 1 359.423 2.133 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447939356 560174060 /nfs/dbraw/zinc/17/40/60/560174060.db2.gz KAFLHKAQXUJQJV-AWEZNQCLSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447941521 560174162 /nfs/dbraw/zinc/17/41/62/560174162.db2.gz KSAIEMRBQXIMPM-OAHLLOKOSA-N 1 1 355.460 2.302 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000448259692 560182248 /nfs/dbraw/zinc/18/22/48/560182248.db2.gz GGGNCHWQTOKDSW-OAHLLOKOSA-N 1 1 374.445 2.391 20 5 FEBDMO CCOC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12COC2 ZINC000449359254 560226700 /nfs/dbraw/zinc/22/67/00/560226700.db2.gz GMNGMGCEMZCIMW-CYBMUJFWSA-N 1 1 354.790 2.260 20 5 FEBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12COC2 ZINC000449359254 560226702 /nfs/dbraw/zinc/22/67/02/560226702.db2.gz GMNGMGCEMZCIMW-CYBMUJFWSA-N 1 1 354.790 2.260 20 5 FEBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449884293 560244085 /nfs/dbraw/zinc/24/40/85/560244085.db2.gz OOZSODLSBWXBMG-GOEBONIOSA-N 1 1 369.425 2.479 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000450959398 560279993 /nfs/dbraw/zinc/27/99/93/560279993.db2.gz YENWFUSOFBZNFZ-ZDUSSCGKSA-N 1 1 360.389 2.299 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451335600 560300988 /nfs/dbraw/zinc/30/09/88/560300988.db2.gz DEHZQZPQZRHRSJ-UHOSZYNNSA-N 1 1 373.453 2.499 20 5 FEBDMO CC1(C)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000451756433 560326822 /nfs/dbraw/zinc/32/68/22/560326822.db2.gz MUKLQBAWMMDFMV-DEOSSOPVSA-N 1 1 353.444 2.156 20 5 FEBDMO CC1(C)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@@]1=O ZINC000451756433 560326823 /nfs/dbraw/zinc/32/68/23/560326823.db2.gz MUKLQBAWMMDFMV-DEOSSOPVSA-N 1 1 353.444 2.156 20 5 FEBDMO CO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451826201 560331054 /nfs/dbraw/zinc/33/10/54/560331054.db2.gz FENYPTNHAAPOGG-BHYGNILZSA-N 1 1 350.415 2.224 20 5 FEBDMO COC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452036256 560346989 /nfs/dbraw/zinc/34/69/89/560346989.db2.gz IMCBOZKSHTUOKQ-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452115272 560352132 /nfs/dbraw/zinc/35/21/32/560352132.db2.gz BHJWPOWTLDCGNS-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO Cc1cnc(CC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000453406478 560386009 /nfs/dbraw/zinc/38/60/09/560386009.db2.gz RBHDEMBOMOPZAI-KRWDZBQOSA-N 1 1 352.398 2.348 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000454530226 560448336 /nfs/dbraw/zinc/44/83/36/560448336.db2.gz XNBSGIHVGOCDBP-SKDRFNHKSA-N 1 1 356.329 2.364 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@@H]21 ZINC000454890332 560462423 /nfs/dbraw/zinc/46/24/23/560462423.db2.gz MQQWGIDGGFFDOX-RISCZKNCSA-N 1 1 372.347 2.459 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000455094920 560469965 /nfs/dbraw/zinc/46/99/65/560469965.db2.gz POTDWDBZNJDKHZ-YOEHRIQHSA-N 1 1 364.446 2.312 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000455148829 560471819 /nfs/dbraw/zinc/47/18/19/560471819.db2.gz ABVQJTOPBYRFSI-UHFFFAOYSA-N 1 1 363.462 2.441 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456252236 560513334 /nfs/dbraw/zinc/51/33/34/560513334.db2.gz UBFXZYNSRVRKHL-UXLLHSPISA-N 1 1 363.458 2.077 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456252236 560513335 /nfs/dbraw/zinc/51/33/35/560513335.db2.gz UBFXZYNSRVRKHL-UXLLHSPISA-N 1 1 363.458 2.077 20 5 FEBDMO C[C@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456326724 560515589 /nfs/dbraw/zinc/51/55/89/560515589.db2.gz GRVLQDQMMOTMLI-MRXNPFEDSA-N 1 1 371.441 2.162 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000456335242 560515774 /nfs/dbraw/zinc/51/57/74/560515774.db2.gz AHWSQFOHWFXHJQ-HNNXBMFYSA-N 1 1 357.414 2.337 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000458159323 560605989 /nfs/dbraw/zinc/60/59/89/560605989.db2.gz FAJBNEAMMYUSFJ-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO COCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1c(C)nn(C)c1C ZINC000459577842 560695522 /nfs/dbraw/zinc/69/55/22/560695522.db2.gz WNVXVLXVILZKLM-UHFFFAOYSA-N 1 1 362.430 2.473 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459659511 560700407 /nfs/dbraw/zinc/70/04/07/560700407.db2.gz KJLUVNXXMDYWBK-GFCCVEGCSA-N 1 1 362.352 2.472 20 5 FEBDMO CSC1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH+](C)CC1 ZINC000460978690 560757915 /nfs/dbraw/zinc/75/79/15/560757915.db2.gz PMUZPKSANCXTDR-UHFFFAOYSA-N 1 1 363.443 2.028 20 5 FEBDMO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000469841219 560966127 /nfs/dbraw/zinc/96/61/27/560966127.db2.gz JHEQFKJPCCZMKK-HNNXBMFYSA-N 1 1 360.439 2.270 20 5 FEBDMO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000469841219 560966128 /nfs/dbraw/zinc/96/61/28/560966128.db2.gz JHEQFKJPCCZMKK-HNNXBMFYSA-N 1 1 360.439 2.270 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000471802013 561012107 /nfs/dbraw/zinc/01/21/07/561012107.db2.gz YWIUUFWTKZTAIU-JKSUJKDBSA-N 1 1 371.441 2.439 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475693075 561102365 /nfs/dbraw/zinc/10/23/65/561102365.db2.gz HZOIYPDYHKPREI-NEPJUHHUSA-N 1 1 354.428 2.472 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475693075 561102366 /nfs/dbraw/zinc/10/23/66/561102366.db2.gz HZOIYPDYHKPREI-NEPJUHHUSA-N 1 1 354.428 2.472 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)CCc2nccs2)cc1[N+](=O)[O-] ZINC000475709464 561102881 /nfs/dbraw/zinc/10/28/81/561102881.db2.gz LRSGMMPFCQCSDW-UHFFFAOYSA-N 1 1 365.411 2.278 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000477068915 561135770 /nfs/dbraw/zinc/13/57/70/561135770.db2.gz KACYIOMTCIUVCD-LJQANCHMSA-N 1 1 359.426 2.377 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000531296704 562441188 /nfs/dbraw/zinc/44/11/88/562441188.db2.gz NXKGNNPHSHDEPS-CYBMUJFWSA-N 1 1 361.398 2.127 20 5 FEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531915466 562461256 /nfs/dbraw/zinc/46/12/56/562461256.db2.gz IFUPIZVDFASEAT-IRXDYDNUSA-N 1 1 362.430 2.037 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000533447320 562509218 /nfs/dbraw/zinc/50/92/18/562509218.db2.gz JSCSWVLUYUHFAY-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO Cc1cc(OCC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395283 568400482 /nfs/dbraw/zinc/40/04/82/568400482.db2.gz OKMDDMRGNYRCCM-DHSIGJKJSA-N 1 1 361.442 2.471 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000810120785 674533682 /nfs/dbraw/zinc/53/36/82/674533682.db2.gz QOYRDLQPZSSVAF-LBPRGKRZSA-N 1 1 361.439 2.441 20 5 FEBDMO CC(C)(C)[NH+]1CCC(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562986890 674831039 /nfs/dbraw/zinc/83/10/39/674831039.db2.gz CQWSNQRIJDFDSQ-HNNXBMFYSA-N 1 1 351.447 2.187 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000047144458 670235124 /nfs/dbraw/zinc/23/51/24/670235124.db2.gz BHSQVGUGDDOJBT-LLVKDONJSA-N 1 1 350.375 2.416 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816945545 675089575 /nfs/dbraw/zinc/08/95/75/675089575.db2.gz JHEHUVOZTJFKOT-CYBMUJFWSA-N 1 1 368.865 2.252 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@@H](CCNC(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000565381131 675116526 /nfs/dbraw/zinc/11/65/26/675116526.db2.gz PJZDYXBBYABRPT-ZDUSSCGKSA-N 1 1 353.394 2.481 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](CCNC(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000565381131 675116528 /nfs/dbraw/zinc/11/65/28/675116528.db2.gz PJZDYXBBYABRPT-ZDUSSCGKSA-N 1 1 353.394 2.481 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000565417163 675119774 /nfs/dbraw/zinc/11/97/74/675119774.db2.gz OWYVMPZTJGOZKQ-OAHLLOKOSA-N 1 1 369.487 2.079 20 5 FEBDMO CC(C)N1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000565417163 675119775 /nfs/dbraw/zinc/11/97/75/675119775.db2.gz OWYVMPZTJGOZKQ-OAHLLOKOSA-N 1 1 369.487 2.079 20 5 FEBDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000573041434 671074195 /nfs/dbraw/zinc/07/41/95/671074195.db2.gz MWIMHSSCBFRBDB-CQSZACIVSA-N 1 1 369.487 2.477 20 5 FEBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3n[nH]cc3[N+](=O)[O-])C2)s1 ZINC000566059654 675176539 /nfs/dbraw/zinc/17/65/39/675176539.db2.gz QULPPEAABAEQLO-LBPRGKRZSA-N 1 1 363.443 2.282 20 5 FEBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108206 675181269 /nfs/dbraw/zinc/18/12/69/675181269.db2.gz DMJYTVOHVHHFOC-VYDXJSESSA-N 1 1 351.447 2.045 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108206 675181273 /nfs/dbraw/zinc/18/12/73/675181273.db2.gz DMJYTVOHVHHFOC-VYDXJSESSA-N 1 1 351.447 2.045 20 5 FEBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000818002788 675189794 /nfs/dbraw/zinc/18/97/94/675189794.db2.gz GETIEADOHNYCNL-UHFFFAOYSA-N 1 1 366.849 2.194 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000609138472 675911587 /nfs/dbraw/zinc/91/15/87/675911587.db2.gz NTVIQYGKBQHPPN-UHFFFAOYSA-N 1 1 361.489 2.397 20 5 FEBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609545389 675925689 /nfs/dbraw/zinc/92/56/89/675925689.db2.gz ICBKLKXHYMDHMR-GFCCVEGCSA-N 1 1 359.835 2.105 20 5 FEBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609545389 675925690 /nfs/dbraw/zinc/92/56/90/675925690.db2.gz ICBKLKXHYMDHMR-GFCCVEGCSA-N 1 1 359.835 2.105 20 5 FEBDMO COc1ccc(-c2ccc(C[NH2+][C@H](C)CS(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000609599075 675928351 /nfs/dbraw/zinc/92/83/51/675928351.db2.gz IOVHCCHIDOIUEN-LLVKDONJSA-N 1 1 368.411 2.386 20 5 FEBDMO CSc1ccc(C(=O)NCCCN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000609624243 675929557 /nfs/dbraw/zinc/92/95/57/675929557.db2.gz VMHBJQDGHMPBED-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO CSc1ccc(C(=O)NCCC[N@@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000609624243 675929560 /nfs/dbraw/zinc/92/95/60/675929560.db2.gz VMHBJQDGHMPBED-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO CSc1ccc(C(=O)NCCC[N@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000609624243 675929562 /nfs/dbraw/zinc/92/95/62/675929562.db2.gz VMHBJQDGHMPBED-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000609673379 675931862 /nfs/dbraw/zinc/93/18/62/675931862.db2.gz DFXYPQLVFALPNY-KBPBESRZSA-N 1 1 355.460 2.444 20 5 FEBDMO CS[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000580209947 671790592 /nfs/dbraw/zinc/79/05/92/671790592.db2.gz SEAKJKSHVPUGET-JKSUJKDBSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+](C)C ZINC000580209947 671790594 /nfs/dbraw/zinc/79/05/94/671790594.db2.gz SEAKJKSHVPUGET-JKSUJKDBSA-N 1 1 366.487 2.209 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000610133848 675955885 /nfs/dbraw/zinc/95/58/85/675955885.db2.gz ZPUXDFBEVISYOL-CHWSQXEVSA-N 1 1 355.460 2.307 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000121824600 671958550 /nfs/dbraw/zinc/95/85/50/671958550.db2.gz XXXOMHVRWVRKSP-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000121824600 671958554 /nfs/dbraw/zinc/95/85/54/671958554.db2.gz XXXOMHVRWVRKSP-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO COC(=O)C[C@@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610368489 675967991 /nfs/dbraw/zinc/96/79/91/675967991.db2.gz BURLATLWHWXKEZ-ZDUSSCGKSA-N 1 1 352.387 2.400 20 5 FEBDMO COC(=O)C[C@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000610368487 675968146 /nfs/dbraw/zinc/96/81/46/675968146.db2.gz BURLATLWHWXKEZ-CYBMUJFWSA-N 1 1 352.387 2.400 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1[N+](=O)[O-] ZINC000582724381 672028604 /nfs/dbraw/zinc/02/86/04/672028604.db2.gz QOQDKEDTDJTEEH-CYBMUJFWSA-N 1 1 355.460 2.120 20 5 FEBDMO COC(=O)[C@H](C)C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000153759493 672204050 /nfs/dbraw/zinc/20/40/50/672204050.db2.gz YLBDVGSXPUUANO-SNVBAGLBSA-N 1 1 369.805 2.460 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000153759493 672204054 /nfs/dbraw/zinc/20/40/54/672204054.db2.gz YLBDVGSXPUUANO-SNVBAGLBSA-N 1 1 369.805 2.460 20 5 FEBDMO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000178882750 672396471 /nfs/dbraw/zinc/39/64/71/672396471.db2.gz YXUQNVNKIJERJV-LBPRGKRZSA-N 1 1 351.407 2.001 20 5 FEBDMO CC(C)(C)OC(=O)NCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000178882750 672396474 /nfs/dbraw/zinc/39/64/74/672396474.db2.gz YXUQNVNKIJERJV-LBPRGKRZSA-N 1 1 351.407 2.001 20 5 FEBDMO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000181026890 672420864 /nfs/dbraw/zinc/42/08/64/672420864.db2.gz FESVHPUNFOELAL-LLVKDONJSA-N 1 1 367.402 2.493 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000590043745 672555130 /nfs/dbraw/zinc/55/51/30/672555130.db2.gz FLFNMYFYBYJWPG-WFASDCNBSA-N 1 1 358.423 2.494 20 5 FEBDMO CSc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590398994 672578289 /nfs/dbraw/zinc/57/82/89/672578289.db2.gz BEISQTHAVKJSAJ-UKRRQHHQSA-N 1 1 365.455 2.252 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000590400450 672578665 /nfs/dbraw/zinc/57/86/65/672578665.db2.gz USAMLCQTXZVJBI-GJZGRUSLSA-N 1 1 353.806 2.183 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000590400454 672578822 /nfs/dbraw/zinc/57/88/22/672578822.db2.gz USAMLCQTXZVJBI-HUUCEWRRSA-N 1 1 353.806 2.183 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1SC ZINC000590445425 672583520 /nfs/dbraw/zinc/58/35/20/672583520.db2.gz LWHLAYJGNFOGCJ-GXFFZTMASA-N 1 1 351.428 2.101 20 5 FEBDMO COc1cc(CN[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519194 676042254 /nfs/dbraw/zinc/04/22/54/676042254.db2.gz CMRRQXQEXIVKEE-GFCCVEGCSA-N 1 1 359.373 2.431 20 5 FEBDMO COc1cc(CN[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519194 676042256 /nfs/dbraw/zinc/04/22/56/676042256.db2.gz CMRRQXQEXIVKEE-GFCCVEGCSA-N 1 1 359.373 2.431 20 5 FEBDMO C[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066557 672871314 /nfs/dbraw/zinc/87/13/14/672871314.db2.gz NOYJIQAJPJWYMC-BLLLJJGKSA-N 1 1 364.833 2.467 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027708 673022214 /nfs/dbraw/zinc/02/22/14/673022214.db2.gz YPWOIYUAUNUGIT-CRAIPNDOSA-N 1 1 350.415 2.368 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594484378 673088531 /nfs/dbraw/zinc/08/85/31/673088531.db2.gz QJUOVQVGWIICJW-ZIAGYGMSSA-N 1 1 357.407 2.029 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484778 673088642 /nfs/dbraw/zinc/08/86/42/673088642.db2.gz UJGOKUYLECJVGC-LSDHHAIUSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594485004 673088915 /nfs/dbraw/zinc/08/89/15/673088915.db2.gz ZSVYZUUKXIISDF-HUUCEWRRSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594484977 673089218 /nfs/dbraw/zinc/08/92/18/673089218.db2.gz ZSVYZUUKXIISDF-CABCVRRESA-N 1 1 353.444 2.198 20 5 FEBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594754085 673130210 /nfs/dbraw/zinc/13/02/10/673130210.db2.gz OELNINMGJJEJLC-ZDUSSCGKSA-N 1 1 370.475 2.169 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594788072 673141988 /nfs/dbraw/zinc/14/19/88/673141988.db2.gz DDVHMWNGZOXIKJ-LBPRGKRZSA-N 1 1 371.459 2.002 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594788942 673143080 /nfs/dbraw/zinc/14/30/80/673143080.db2.gz IJCBLZJQJPDNPG-CQSZACIVSA-N 1 1 355.460 2.135 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000594800464 673147631 /nfs/dbraw/zinc/14/76/31/673147631.db2.gz GBHDMAMYLWYLBZ-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO COc1cc(C[NH2+]C/C=C\CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594974492 673181527 /nfs/dbraw/zinc/18/15/27/673181527.db2.gz KJVOGCARTWQSOH-IHWYPQMZSA-N 1 1 350.293 2.183 20 5 FEBDMO C[C@H]1COC2(CCCC2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595815330 673327266 /nfs/dbraw/zinc/32/72/66/673327266.db2.gz OEQSZMKDAHVZMU-GOEBONIOSA-N 1 1 350.415 2.368 20 5 FEBDMO CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000596290384 673374783 /nfs/dbraw/zinc/37/47/83/673374783.db2.gz YHKQAGFQSVCJOO-HNNXBMFYSA-N 1 1 350.419 2.099 20 5 FEBDMO O=[N+]([O-])c1cncc(Cl)c1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000596514345 673390775 /nfs/dbraw/zinc/39/07/75/673390775.db2.gz JPWJZPCCJNXUOR-ZIAGYGMSSA-N 1 1 352.822 2.120 20 5 FEBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000537629451 673398089 /nfs/dbraw/zinc/39/80/89/673398089.db2.gz HMECBRSUIMUKQH-AWEZNQCLSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000537629451 673398091 /nfs/dbraw/zinc/39/80/91/673398091.db2.gz HMECBRSUIMUKQH-AWEZNQCLSA-N 1 1 365.411 2.108 20 5 FEBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000539370605 673486149 /nfs/dbraw/zinc/48/61/49/673486149.db2.gz ORVSJNGDKPNVFK-SSINHNECSA-N 1 1 361.423 2.282 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693057 673499761 /nfs/dbraw/zinc/49/97/61/673499761.db2.gz ADLSFRBSWQXUGP-HZPDHXFCSA-N 1 1 365.455 2.009 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000599464988 673678986 /nfs/dbraw/zinc/67/89/86/673678986.db2.gz ZNUKZHNYNSLFAK-QGZVFWFLSA-N 1 1 367.471 2.074 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)Nc1ccc([N+](=O)[O-])c2ccncc12 ZINC000599829545 673721323 /nfs/dbraw/zinc/72/13/23/673721323.db2.gz HUFKBYYBFWLESV-UHFFFAOYSA-N 1 1 361.427 2.313 20 5 FEBDMO NC(=O)C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000600209779 673749361 /nfs/dbraw/zinc/74/93/61/673749361.db2.gz ZQOBVZGVMJPPSR-AWEZNQCLSA-N 1 1 361.423 2.400 20 5 FEBDMO NC(=O)C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000600209779 673749363 /nfs/dbraw/zinc/74/93/63/673749363.db2.gz ZQOBVZGVMJPPSR-AWEZNQCLSA-N 1 1 361.423 2.400 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC(n3c[nH+]cc3C)CC2)c([N+](=O)[O-])s1 ZINC000601413965 673858203 /nfs/dbraw/zinc/85/82/03/673858203.db2.gz MLRKWFWUDSOEGD-UHFFFAOYSA-N 1 1 370.456 2.495 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000601414946 673858538 /nfs/dbraw/zinc/85/85/38/673858538.db2.gz MYZPPOOTJLYHII-FUNVUKJBSA-N 1 1 371.434 2.288 20 5 FEBDMO CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602610811 673908722 /nfs/dbraw/zinc/90/87/22/673908722.db2.gz JQUUNXMSHUDTNP-UHFFFAOYSA-N 1 1 371.278 2.332 20 5 FEBDMO CN1CCN(CCC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602594446 673908773 /nfs/dbraw/zinc/90/87/73/673908773.db2.gz WOBVZYBTGWISFQ-UHFFFAOYSA-N 1 1 360.380 2.341 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)c1 ZINC000602884158 673912864 /nfs/dbraw/zinc/91/28/64/673912864.db2.gz VJVCOBCBYWRZRK-QGZVFWFLSA-N 1 1 351.472 2.235 20 5 FEBDMO CC1(C)[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000603109708 673917400 /nfs/dbraw/zinc/91/74/00/673917400.db2.gz FJAZQRUERQYRCT-GJZGRUSLSA-N 1 1 367.833 2.477 20 5 FEBDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850650 675247704 /nfs/dbraw/zinc/24/77/04/675247704.db2.gz MNWNWQUTYKKQSV-BZUAXINKSA-N 1 1 351.447 2.045 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850650 675247706 /nfs/dbraw/zinc/24/77/06/675247706.db2.gz MNWNWQUTYKKQSV-BZUAXINKSA-N 1 1 351.447 2.045 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CCC[N@@H+]1CCCO ZINC000820990308 675405168 /nfs/dbraw/zinc/40/51/68/675405168.db2.gz NLRSJRAGOQKGPS-ZDUSSCGKSA-N 1 1 369.849 2.144 20 5 FEBDMO CC[N@@H+]1CCc2nc(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000823996367 675578915 /nfs/dbraw/zinc/57/89/15/675578915.db2.gz AWHXDQQQLMGWAD-AWEZNQCLSA-N 1 1 362.411 2.101 20 5 FEBDMO CC[N@H+]1CCc2nc(NC(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000823996367 675578917 /nfs/dbraw/zinc/57/89/17/675578917.db2.gz AWHXDQQQLMGWAD-AWEZNQCLSA-N 1 1 362.411 2.101 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1Cl ZINC000827047979 675725628 /nfs/dbraw/zinc/72/56/28/675725628.db2.gz KXIOHKQSXNONTR-UHFFFAOYSA-N 1 1 360.741 2.315 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000603640504 675800462 /nfs/dbraw/zinc/80/04/62/675800462.db2.gz QQSXLMUWOIFNNX-QWHCGFSZSA-N 1 1 355.460 2.444 20 5 FEBDMO COc1ccc(CNC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000604105382 675803551 /nfs/dbraw/zinc/80/35/51/675803551.db2.gz PORDOUSSOZLJMZ-CYBMUJFWSA-N 1 1 350.419 2.277 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000619487134 676380275 /nfs/dbraw/zinc/38/02/75/676380275.db2.gz DRZOKYPUWQYDNI-CYBMUJFWSA-N 1 1 371.459 2.098 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000619486216 676380348 /nfs/dbraw/zinc/38/03/48/676380348.db2.gz ZJAQNNQNPCQSQZ-QWHCGFSZSA-N 1 1 371.459 2.097 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000619500023 676382142 /nfs/dbraw/zinc/38/21/42/676382142.db2.gz YRTYBSVFZVCHQU-UHFFFAOYSA-N 1 1 371.459 2.004 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000619500023 676382143 /nfs/dbraw/zinc/38/21/43/676382143.db2.gz YRTYBSVFZVCHQU-UHFFFAOYSA-N 1 1 371.459 2.004 20 5 FEBDMO CC[NH+](CC)CCO[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071737 680099221 /nfs/dbraw/zinc/09/92/21/680099221.db2.gz LCTOLWDCQKFBIY-ZWKOTPCHSA-N 1 1 351.447 2.061 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832755942 680172979 /nfs/dbraw/zinc/17/29/79/680172979.db2.gz GZKLODSATJRULJ-UHFFFAOYSA-N 1 1 361.851 2.401 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000754791395 680378610 /nfs/dbraw/zinc/37/86/10/680378610.db2.gz FLSWJBFKINRIMB-SNVBAGLBSA-N 1 1 359.835 2.072 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000754791395 680378613 /nfs/dbraw/zinc/37/86/13/680378613.db2.gz FLSWJBFKINRIMB-SNVBAGLBSA-N 1 1 359.835 2.072 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754987651 680392403 /nfs/dbraw/zinc/39/24/03/680392403.db2.gz LUUAHYWVEIQTLD-SECBINFHSA-N 1 1 372.194 2.463 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccnc2Cl)cc1 ZINC000757958825 680545796 /nfs/dbraw/zinc/54/57/96/680545796.db2.gz WDJXISFJUDUAFN-UHFFFAOYSA-N 1 1 355.803 2.207 20 5 FEBDMO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837186093 680564931 /nfs/dbraw/zinc/56/49/31/680564931.db2.gz NCQQYVOBJRKSGC-GFCCVEGCSA-N 1 1 350.375 2.366 20 5 FEBDMO C[C@H](SC[C@H]1C[N@H+](C)CCO1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000842651592 680957262 /nfs/dbraw/zinc/95/72/62/680957262.db2.gz ALBITVLABXLRPT-CMPLNLGQSA-N 1 1 357.407 2.125 20 5 FEBDMO C[C@H](SC[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000842651592 680957263 /nfs/dbraw/zinc/95/72/63/680957263.db2.gz ALBITVLABXLRPT-CMPLNLGQSA-N 1 1 357.407 2.125 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770016891 681003079 /nfs/dbraw/zinc/00/30/79/681003079.db2.gz RHCVCKXGWVNVKM-LBPRGKRZSA-N 1 1 356.810 2.481 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](CCCc1ccsc1)CC2 ZINC001050516820 681049133 /nfs/dbraw/zinc/04/91/33/681049133.db2.gz KMFJTUAXUAWFDW-HZPDHXFCSA-N 1 1 363.483 2.270 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000844953556 681095097 /nfs/dbraw/zinc/09/50/97/681095097.db2.gz PPBSIRNWFOFKTQ-UHFFFAOYSA-N 1 1 357.357 2.056 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000844953556 681095100 /nfs/dbraw/zinc/09/51/00/681095100.db2.gz PPBSIRNWFOFKTQ-UHFFFAOYSA-N 1 1 357.357 2.056 20 5 FEBDMO C[C@@H]1[C@H](COC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000845818819 681154720 /nfs/dbraw/zinc/15/47/20/681154720.db2.gz IMMBKNXGXRRPTK-YPMHNXCESA-N 1 1 351.359 2.319 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000932907409 681325947 /nfs/dbraw/zinc/32/59/47/681325947.db2.gz DJRZFZYFGBFRKV-SECBINFHSA-N 1 1 358.801 2.383 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000933433186 681410964 /nfs/dbraw/zinc/41/09/64/681410964.db2.gz CHBPMYMSGBWAMX-KCJUWKMLSA-N 1 1 358.801 2.382 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848591382 681585608 /nfs/dbraw/zinc/58/56/08/681585608.db2.gz LUCOSAYFUNCRRM-LBPRGKRZSA-N 1 1 357.357 2.415 20 5 FEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000913536050 685479504 /nfs/dbraw/zinc/47/95/04/685479504.db2.gz FXBJTTBKEBULIF-AOOOYVTPSA-N 1 1 372.194 2.415 20 5 FEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000913536050 685479505 /nfs/dbraw/zinc/47/95/05/685479505.db2.gz FXBJTTBKEBULIF-AOOOYVTPSA-N 1 1 372.194 2.415 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000783912610 682186052 /nfs/dbraw/zinc/18/60/52/682186052.db2.gz ZXTYYCAIWHICJF-UHFFFAOYSA-N 1 1 365.367 2.067 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000917829217 685534855 /nfs/dbraw/zinc/53/48/55/685534855.db2.gz OZCIBMTWPBMYLK-CZUORRHYSA-N 1 1 350.419 2.066 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791210652 682728738 /nfs/dbraw/zinc/72/87/38/682728738.db2.gz XPNABROGOOBFKF-LBPRGKRZSA-N 1 1 352.410 2.404 20 5 FEBDMO C[C@@H]1CSCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000792719845 682830220 /nfs/dbraw/zinc/83/02/20/682830220.db2.gz LKFIADBQYJDCAH-LBPRGKRZSA-N 1 1 364.427 2.006 20 5 FEBDMO C[C@@H]1CSCC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000792719845 682830227 /nfs/dbraw/zinc/83/02/27/682830227.db2.gz LKFIADBQYJDCAH-LBPRGKRZSA-N 1 1 364.427 2.006 20 5 FEBDMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCC[N@H+]1CC[C@@H](O)C1 ZINC000858812857 683004337 /nfs/dbraw/zinc/00/43/37/683004337.db2.gz VWKBSSFHIGNNCG-SECBINFHSA-N 1 1 364.280 2.000 20 5 FEBDMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000858812857 683004339 /nfs/dbraw/zinc/00/43/39/683004339.db2.gz VWKBSSFHIGNNCG-SECBINFHSA-N 1 1 364.280 2.000 20 5 FEBDMO COC(=O)CC[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000795925560 683109032 /nfs/dbraw/zinc/10/90/32/683109032.db2.gz UDMFDAQVIZPYLI-UHFFFAOYSA-N 1 1 358.341 2.417 20 5 FEBDMO COC(=O)CC[N@@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000795925560 683109035 /nfs/dbraw/zinc/10/90/35/683109035.db2.gz UDMFDAQVIZPYLI-UHFFFAOYSA-N 1 1 358.341 2.417 20 5 FEBDMO C[C@H](C[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860096255 683201203 /nfs/dbraw/zinc/20/12/03/683201203.db2.gz VVADICQQQRBVAV-IUODEOHRSA-N 1 1 353.419 2.473 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1Cl ZINC000860253644 683223113 /nfs/dbraw/zinc/22/31/13/683223113.db2.gz FIUNHIMZNVTBLS-GFCCVEGCSA-N 1 1 355.822 2.215 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000920597782 683354363 /nfs/dbraw/zinc/35/43/63/683354363.db2.gz AMVDPTMFDAKZAM-HOCLYGCPSA-N 1 1 364.471 2.016 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1(C)C ZINC000861526419 683428025 /nfs/dbraw/zinc/42/80/25/683428025.db2.gz QPWVYANBQZHXPT-UHFFFAOYSA-N 1 1 354.838 2.004 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000861833093 683482501 /nfs/dbraw/zinc/48/25/01/683482501.db2.gz QTRWPTAXMRCBEF-UONOGXRCSA-N 1 1 353.806 2.183 20 5 FEBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929212166 683562717 /nfs/dbraw/zinc/56/27/17/683562717.db2.gz NWNONXWUBPYVDR-UONOGXRCSA-N 1 1 368.821 2.311 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929216387 683563994 /nfs/dbraw/zinc/56/39/94/683563994.db2.gz BYSAIJUGIGGIDC-CABCVRRESA-N 1 1 368.821 2.311 20 5 FEBDMO C[N@H+]1CCn2nc(NCc3cc([N+](=O)[O-])ccc3OC(F)F)cc2C1 ZINC000865844243 684035908 /nfs/dbraw/zinc/03/59/08/684035908.db2.gz GKFYJFXNAUCNPI-UHFFFAOYSA-N 1 1 353.329 2.450 20 5 FEBDMO Cn1cc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000931850896 684356471 /nfs/dbraw/zinc/35/64/71/684356471.db2.gz LBFXDALNCDPTLK-UONOGXRCSA-N 1 1 350.419 2.128 20 5 FEBDMO C[C@@]([NH3+])(C(=O)N1CCO[C@H](c2ccsc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870906463 684768820 /nfs/dbraw/zinc/76/88/20/684768820.db2.gz OHBSVPVMTNHHTI-RDJZCZTQSA-N 1 1 361.423 2.430 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2nc(Cl)ccc2Br)c1 ZINC000877095178 686325040 /nfs/dbraw/zinc/32/50/40/686325040.db2.gz PEQLEQVRWPTAGG-UHFFFAOYSA-N 1 1 360.599 2.392 20 5 FEBDMO CC(C)S(=O)(=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877538197 686404454 /nfs/dbraw/zinc/40/44/54/686404454.db2.gz XZDBQMJCDRGINI-UHFFFAOYSA-N 1 1 371.278 2.332 20 5 FEBDMO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000879371149 686807219 /nfs/dbraw/zinc/80/72/19/686807219.db2.gz ZWYQHBHAFRTLMO-ZIAGYGMSSA-N 1 1 358.341 2.149 20 5 FEBDMO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000879371149 686807227 /nfs/dbraw/zinc/80/72/27/686807227.db2.gz ZWYQHBHAFRTLMO-ZIAGYGMSSA-N 1 1 358.341 2.149 20 5 FEBDMO O=C(C[N@@H+]1CC[C@H](c2nccs2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880318943 687033732 /nfs/dbraw/zinc/03/37/32/687033732.db2.gz QGKFZGODCQJIPW-ZDUSSCGKSA-N 1 1 358.423 2.430 20 5 FEBDMO O=C(C[N@H+]1CC[C@H](c2nccs2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880318943 687033734 /nfs/dbraw/zinc/03/37/34/687033734.db2.gz QGKFZGODCQJIPW-ZDUSSCGKSA-N 1 1 358.423 2.430 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000882515392 687383238 /nfs/dbraw/zinc/38/32/38/687383238.db2.gz DXQRVMOKVHLJAL-STQMWFEESA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000882515392 687383243 /nfs/dbraw/zinc/38/32/43/687383243.db2.gz DXQRVMOKVHLJAL-STQMWFEESA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000884954482 687973156 /nfs/dbraw/zinc/97/31/56/687973156.db2.gz FNOZMBXJRDXROK-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000885455164 688076919 /nfs/dbraw/zinc/07/69/19/688076919.db2.gz GYBVLFLQVDSPGO-HIFRSBDPSA-N 1 1 353.444 2.151 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000885459572 688078468 /nfs/dbraw/zinc/07/84/68/688078468.db2.gz KKUQIPAJJDYNJC-OLZOCXBDSA-N 1 1 371.434 2.290 20 5 FEBDMO CSc1cccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000885879068 688176424 /nfs/dbraw/zinc/17/64/24/688176424.db2.gz CPYMNZJLQVWSGR-ZDUSSCGKSA-N 1 1 365.455 2.300 20 5 FEBDMO O=C(CC[N@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1cc([N+](=O)[O-])ccc1F ZINC000886631824 688284969 /nfs/dbraw/zinc/28/49/69/688284969.db2.gz XJRGJYOGSMKMRM-NVXWUHKLSA-N 1 1 351.378 2.299 20 5 FEBDMO Cc1csc(C[C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000886691611 688289876 /nfs/dbraw/zinc/28/98/76/688289876.db2.gz IOTPOAXJWYAWMT-AWEZNQCLSA-N 1 1 362.455 2.476 20 5 FEBDMO C[C@@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895248741 689683839 /nfs/dbraw/zinc/68/38/39/689683839.db2.gz MYPVXAYVPOJWBY-ABAIWWIYSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895248741 689683844 /nfs/dbraw/zinc/68/38/44/689683844.db2.gz MYPVXAYVPOJWBY-ABAIWWIYSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895248741 689683849 /nfs/dbraw/zinc/68/38/49/689683849.db2.gz MYPVXAYVPOJWBY-ABAIWWIYSA-N 1 1 363.849 2.265 20 5 FEBDMO COc1cc(CN[C@@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557899 689894078 /nfs/dbraw/zinc/89/40/78/689894078.db2.gz LQNQNNBRYAFYGF-CMPLNLGQSA-N 1 1 359.373 2.430 20 5 FEBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557899 689894079 /nfs/dbraw/zinc/89/40/79/689894079.db2.gz LQNQNNBRYAFYGF-CMPLNLGQSA-N 1 1 359.373 2.430 20 5 FEBDMO CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC[N@H+](C)CC1 ZINC000897093962 689974366 /nfs/dbraw/zinc/97/43/66/689974366.db2.gz FTCDICJOLNTYET-UHFFFAOYSA-N 1 1 357.252 2.041 20 5 FEBDMO CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC[N@@H+](C)CC1 ZINC000897093962 689974369 /nfs/dbraw/zinc/97/43/69/689974369.db2.gz FTCDICJOLNTYET-UHFFFAOYSA-N 1 1 357.252 2.041 20 5 FEBDMO O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000905633534 691154531 /nfs/dbraw/zinc/15/45/31/691154531.db2.gz LJMIFYPCGKDAFK-KGLIPLIRSA-N 1 1 352.485 2.461 20 5 FEBDMO C[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000906763003 691312125 /nfs/dbraw/zinc/31/21/25/691312125.db2.gz JMWGOJNKNRCVIF-CYBMUJFWSA-N 1 1 369.849 2.265 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000907063917 691384935 /nfs/dbraw/zinc/38/49/35/691384935.db2.gz DRHBWOYJGXTVNI-ZWNOBZJWSA-N 1 1 352.822 2.387 20 5 FEBDMO CCc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301623796 719459410 /nfs/dbraw/zinc/45/94/10/719459410.db2.gz ABBMJOZICIDHHA-SJORKVTESA-N 1 1 369.425 2.133 20 5 FEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867769 721062058 /nfs/dbraw/zinc/06/20/58/721062058.db2.gz KHFBZZKQKBWFRB-JKSUJKDBSA-N 1 1 373.388 2.004 20 5 FEBDMO Nc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164909330 721541553 /nfs/dbraw/zinc/54/15/53/721541553.db2.gz RMJSKYNZDCGVNW-HIFRSBDPSA-N 1 1 373.388 2.053 20 5 FEBDMO CNc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000021052155 539680140 /nfs/dbraw/zinc/68/01/40/539680140.db2.gz DIHAZGZTXCBABA-CHWSQXEVSA-N 1 1 364.446 2.254 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000023977041 539722754 /nfs/dbraw/zinc/72/27/54/539722754.db2.gz YGZYPBUULTUSLY-LBPRGKRZSA-N 1 1 355.441 2.238 20 5 FEBDMO COc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000026063308 539776016 /nfs/dbraw/zinc/77/60/16/539776016.db2.gz WPWNRKCNKRFMSM-OAHLLOKOSA-N 1 1 365.430 2.080 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000026852956 539794784 /nfs/dbraw/zinc/79/47/84/539794784.db2.gz KJTJFZIESNKDDU-INIZCTEOSA-N 1 1 355.394 2.364 20 5 FEBDMO C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000030028967 539872994 /nfs/dbraw/zinc/87/29/94/539872994.db2.gz DFQUJQSUDMPQNV-KRWDZBQOSA-N 1 1 355.394 2.489 20 5 FEBDMO C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000030028967 539872997 /nfs/dbraw/zinc/87/29/97/539872997.db2.gz DFQUJQSUDMPQNV-KRWDZBQOSA-N 1 1 355.394 2.489 20 5 FEBDMO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@H+]1CCCC[C@H]1C ZINC000032732899 539949760 /nfs/dbraw/zinc/94/97/60/539949760.db2.gz GWLQCMAXZSSDMS-OLZOCXBDSA-N 1 1 363.414 2.359 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000041644056 540028741 /nfs/dbraw/zinc/02/87/41/540028741.db2.gz YWKRYRKUADGDIC-UONOGXRCSA-N 1 1 362.430 2.221 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCOCC1 ZINC000041871326 540037729 /nfs/dbraw/zinc/03/77/29/540037729.db2.gz PNPNDQCRSVWEMV-QGZVFWFLSA-N 1 1 360.414 2.163 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000042638136 540071735 /nfs/dbraw/zinc/07/17/35/540071735.db2.gz XWKYSLHKDKJZGR-ZDUSSCGKSA-N 1 1 362.430 2.030 20 5 FEBDMO Cc1c(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000049131701 540381818 /nfs/dbraw/zinc/38/18/18/540381818.db2.gz WSXVJMXPNLYNLT-ZDUSSCGKSA-N 1 1 362.430 2.222 20 5 FEBDMO C[NH+]1CCC(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000050797345 540414393 /nfs/dbraw/zinc/41/43/93/540414393.db2.gz OGYWHZLPGIJYJZ-UHFFFAOYSA-N 1 1 364.421 2.022 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052160023 540456302 /nfs/dbraw/zinc/45/63/02/540456302.db2.gz PXFKIQSLKQFPFR-OLZOCXBDSA-N 1 1 370.475 2.035 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000052931273 540500402 /nfs/dbraw/zinc/50/04/02/540500402.db2.gz IDQMOFHFADZRRC-OAHLLOKOSA-N 1 1 374.441 2.162 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCc2sccc2C1 ZINC000053267777 540521795 /nfs/dbraw/zinc/52/17/95/540521795.db2.gz PECMUHZQKCRGQK-UHFFFAOYSA-N 1 1 361.423 2.210 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@H+]1CCc2sccc2C1 ZINC000053267777 540521797 /nfs/dbraw/zinc/52/17/97/540521797.db2.gz PECMUHZQKCRGQK-UHFFFAOYSA-N 1 1 361.423 2.210 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2CC)cc1OC ZINC000053274928 540523151 /nfs/dbraw/zinc/52/31/51/540523151.db2.gz DXULEIPPFARLKZ-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO CNC(=O)c1ccc(N2CC[NH+](Cc3ccsc3)CC2)c([N+](=O)[O-])c1 ZINC000053553583 540543110 /nfs/dbraw/zinc/54/31/10/540543110.db2.gz MIPPTTRLOLLFPI-UHFFFAOYSA-N 1 1 360.439 2.338 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000054097791 540568961 /nfs/dbraw/zinc/56/89/61/540568961.db2.gz AOPMNKUDOWVOOO-UHFFFAOYSA-N 1 1 368.397 2.320 20 5 FEBDMO COC(=O)c1cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000055400802 540650684 /nfs/dbraw/zinc/65/06/84/540650684.db2.gz RHHLESJHIAMAIY-CHWSQXEVSA-N 1 1 363.414 2.232 20 5 FEBDMO O=C(NC1CC1)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000055912224 540685508 /nfs/dbraw/zinc/68/55/08/540685508.db2.gz SPBNSDYKBXKXMC-UHFFFAOYSA-N 1 1 371.397 2.135 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000058273915 540837322 /nfs/dbraw/zinc/83/73/22/540837322.db2.gz LEVQXUYVUOOIPC-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000060950622 541123773 /nfs/dbraw/zinc/12/37/73/541123773.db2.gz LRXPQIBVXBGIEI-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000065969070 541275264 /nfs/dbraw/zinc/27/52/64/541275264.db2.gz ZIFIMDZMBRWNCE-LJQANCHMSA-N 1 1 371.437 2.152 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000065791850 541262231 /nfs/dbraw/zinc/26/22/31/541262231.db2.gz IPNGJDITFOMIHQ-ZDUSSCGKSA-N 1 1 355.460 2.310 20 5 FEBDMO CCCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066544038 541333794 /nfs/dbraw/zinc/33/37/94/541333794.db2.gz WWDBMATXYHVROD-HNNXBMFYSA-N 1 1 356.444 2.263 20 5 FEBDMO CCCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000066544038 541333798 /nfs/dbraw/zinc/33/37/98/541333798.db2.gz WWDBMATXYHVROD-HNNXBMFYSA-N 1 1 356.444 2.263 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000068346326 541579776 /nfs/dbraw/zinc/57/97/76/541579776.db2.gz GOXDKFKYQDZORT-UHFFFAOYSA-N 1 1 371.459 2.146 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000068360325 541582110 /nfs/dbraw/zinc/58/21/10/541582110.db2.gz JKSKCVZAESWTJJ-ZDUSSCGKSA-N 1 1 368.397 2.352 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000069044354 541652467 /nfs/dbraw/zinc/65/24/67/541652467.db2.gz MVEZJQIPRFARAE-CYBMUJFWSA-N 1 1 363.414 2.216 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000069989517 541730119 /nfs/dbraw/zinc/73/01/19/541730119.db2.gz CAIBAULLMPFRPS-UHFFFAOYSA-N 1 1 368.821 2.129 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000070951293 541754325 /nfs/dbraw/zinc/75/43/25/541754325.db2.gz ZYZNMRBNWYGDCU-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000070951293 541754330 /nfs/dbraw/zinc/75/43/30/541754330.db2.gz ZYZNMRBNWYGDCU-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544410586 541765575 /nfs/dbraw/zinc/76/55/75/541765575.db2.gz SVZUGJYZAPSBKU-AWEZNQCLSA-N 1 1 358.446 2.224 20 5 FEBDMO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072629939 541840953 /nfs/dbraw/zinc/84/09/53/541840953.db2.gz NCOMATSNFBODQH-ZDUSSCGKSA-N 1 1 355.460 2.402 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000074320875 542069635 /nfs/dbraw/zinc/06/96/35/542069635.db2.gz VAIMAFWOKGGRHA-GFCCVEGCSA-N 1 1 350.394 2.120 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000075498000 542182409 /nfs/dbraw/zinc/18/24/09/542182409.db2.gz IXMPTPBIQJDKGZ-LBPRGKRZSA-N 1 1 368.821 2.434 20 5 FEBDMO C[N@@H+](CCc1cccc2ccccc21)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075679985 542197941 /nfs/dbraw/zinc/19/79/41/542197941.db2.gz JVOBSXRUVSPBNQ-GOSISDBHSA-N 1 1 354.410 2.480 20 5 FEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000075768077 542203150 /nfs/dbraw/zinc/20/31/50/542203150.db2.gz NAOCYMSDVUHLMT-YESZJQIVSA-N 1 1 366.462 2.212 20 5 FEBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801555177 674134978 /nfs/dbraw/zinc/13/49/78/674134978.db2.gz GEQANYOWUPLBDC-GXFFZTMASA-N 1 1 359.220 2.329 20 5 FEBDMO CC(=O)NCC[N@@H+](Cc1ccsc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801558918 674135135 /nfs/dbraw/zinc/13/51/35/674135135.db2.gz YSVGKRFYFCNPDJ-QGZVFWFLSA-N 1 1 363.439 2.328 20 5 FEBDMO CC(=O)NCC[N@H+](Cc1ccsc1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801558918 674135138 /nfs/dbraw/zinc/13/51/38/674135138.db2.gz YSVGKRFYFCNPDJ-QGZVFWFLSA-N 1 1 363.439 2.328 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000076479310 542283220 /nfs/dbraw/zinc/28/32/20/542283220.db2.gz BMVSWHCTVYKWQN-OCCSQVGLSA-N 1 1 365.430 2.414 20 5 FEBDMO CCN1CCC([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000077249594 542359892 /nfs/dbraw/zinc/35/98/92/542359892.db2.gz LMSJNANYACCZDS-UHFFFAOYSA-N 1 1 362.430 2.309 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000079945561 542552052 /nfs/dbraw/zinc/55/20/52/542552052.db2.gz RMWMYZUPILEEHP-DOMZBBRYSA-N 1 1 357.414 2.409 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000080543907 542594303 /nfs/dbraw/zinc/59/43/03/542594303.db2.gz QCVWQNJLUAIDNE-MRXNPFEDSA-N 1 1 354.426 2.426 20 5 FEBDMO COc1cc(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)cc([N+](=O)[O-])c1C ZINC000802136937 674162810 /nfs/dbraw/zinc/16/28/10/674162810.db2.gz MSHKJIVVNDUVLG-AWEZNQCLSA-N 1 1 352.387 2.178 20 5 FEBDMO COc1cc(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)cc([N+](=O)[O-])c1C ZINC000802136937 674162812 /nfs/dbraw/zinc/16/28/12/674162812.db2.gz MSHKJIVVNDUVLG-AWEZNQCLSA-N 1 1 352.387 2.178 20 5 FEBDMO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092664418 542879333 /nfs/dbraw/zinc/87/93/33/542879333.db2.gz FYIODXHNFPMMBK-HZPDHXFCSA-N 1 1 362.474 2.291 20 5 FEBDMO CCc1nn(C)c(NCC2([NH+]3CCOCC3)CCCCC2)c1[N+](=O)[O-] ZINC000094131712 542952982 /nfs/dbraw/zinc/95/29/82/542952982.db2.gz JQBVEOMQWRZRQS-UHFFFAOYSA-N 1 1 351.451 2.338 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000111273395 543391316 /nfs/dbraw/zinc/39/13/16/543391316.db2.gz ITQQMGXPWHERPN-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111541324 543405841 /nfs/dbraw/zinc/40/58/41/543405841.db2.gz XQSPCPXQPQCHRF-ZDUSSCGKSA-N 1 1 372.425 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1CCO ZINC000112583827 543453252 /nfs/dbraw/zinc/45/32/52/543453252.db2.gz VRJCGWUQSGMKCK-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000113231115 543478379 /nfs/dbraw/zinc/47/83/79/543478379.db2.gz PTJYGPFEXBXXML-XJKSGUPXSA-N 1 1 369.425 2.304 20 5 FEBDMO CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000114073064 543503718 /nfs/dbraw/zinc/50/37/18/543503718.db2.gz JYYGPIOYSZWQJD-GOEBONIOSA-N 1 1 363.414 2.188 20 5 FEBDMO CCOC(=O)C(C)(C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341488 543629650 /nfs/dbraw/zinc/62/96/50/543629650.db2.gz IWDOMZNDOZFDEB-UHFFFAOYSA-N 1 1 365.386 2.166 20 5 FEBDMO CCOC(=O)C(C)(C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341488 543629652 /nfs/dbraw/zinc/62/96/52/543629652.db2.gz IWDOMZNDOZFDEB-UHFFFAOYSA-N 1 1 365.386 2.166 20 5 FEBDMO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000116891902 543619429 /nfs/dbraw/zinc/61/94/29/543619429.db2.gz ZHTCDPDMINBTPM-OAHLLOKOSA-N 1 1 372.446 2.070 20 5 FEBDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000116891902 543619431 /nfs/dbraw/zinc/61/94/31/543619431.db2.gz ZHTCDPDMINBTPM-OAHLLOKOSA-N 1 1 372.446 2.070 20 5 FEBDMO Cc1ccc(NCCCNC(=O)NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000120303102 543678274 /nfs/dbraw/zinc/67/82/74/543678274.db2.gz UPCLJWAGKDYYPJ-OAHLLOKOSA-N 1 1 363.462 2.346 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(C(=O)NCc2ccccc2[N+](=O)[O-])CC1 ZINC000124326678 543814419 /nfs/dbraw/zinc/81/44/19/543814419.db2.gz HDWVHJUNSKFQHQ-UHFFFAOYSA-N 1 1 357.414 2.493 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000126187889 543923175 /nfs/dbraw/zinc/92/31/75/543923175.db2.gz CFFAMAXQYBPFTJ-OLZOCXBDSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000126187889 543923178 /nfs/dbraw/zinc/92/31/78/543923178.db2.gz CFFAMAXQYBPFTJ-OLZOCXBDSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1C ZINC000126277138 543927865 /nfs/dbraw/zinc/92/78/65/543927865.db2.gz BNKPEEYIAZLIGN-AAEUAGOBSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1C ZINC000126277138 543927869 /nfs/dbraw/zinc/92/78/69/543927869.db2.gz BNKPEEYIAZLIGN-AAEUAGOBSA-N 1 1 353.444 2.115 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000128553347 544059205 /nfs/dbraw/zinc/05/92/05/544059205.db2.gz UKIXOOXWDATOOZ-CJNGLKHVSA-N 1 1 364.446 2.475 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000131172130 544179283 /nfs/dbraw/zinc/17/92/83/544179283.db2.gz GJAHJENPCDOXCD-MRXNPFEDSA-N 1 1 369.487 2.477 20 5 FEBDMO CCC[C@H]1C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000131688238 544201829 /nfs/dbraw/zinc/20/18/29/544201829.db2.gz VBQVNOGQKGTMNQ-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO CCC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000131688238 544201831 /nfs/dbraw/zinc/20/18/31/544201831.db2.gz VBQVNOGQKGTMNQ-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@@H]1C[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000131960598 544213523 /nfs/dbraw/zinc/21/35/23/544213523.db2.gz OMLBRBLDAXLLEB-NVXWUHKLSA-N 1 1 371.441 2.208 20 5 FEBDMO O=C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134872214 544324350 /nfs/dbraw/zinc/32/43/50/544324350.db2.gz WBLLTRQOKAHFFW-RHSMWYFYSA-N 1 1 358.442 2.482 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000152297853 544635259 /nfs/dbraw/zinc/63/52/59/544635259.db2.gz SEMBTHSSKKTHNG-GFCCVEGCSA-N 1 1 351.403 2.167 20 5 FEBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[N@@H+](C)C1 ZINC000153217233 544747624 /nfs/dbraw/zinc/74/76/24/544747624.db2.gz FHWASWPQFCGZBB-CYBMUJFWSA-N 1 1 370.247 2.452 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000153788532 544823791 /nfs/dbraw/zinc/82/37/91/544823791.db2.gz FVWWYTQAMTUQJH-OAHLLOKOSA-N 1 1 365.430 2.414 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000153788532 544823794 /nfs/dbraw/zinc/82/37/94/544823794.db2.gz FVWWYTQAMTUQJH-OAHLLOKOSA-N 1 1 365.430 2.414 20 5 FEBDMO CCOc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000153590337 544795729 /nfs/dbraw/zinc/79/57/29/544795729.db2.gz ODRPUUDKFIYKPS-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153981192 544848899 /nfs/dbraw/zinc/84/88/99/544848899.db2.gz ZEKPSWUBNLHITJ-GDBMZVCRSA-N 1 1 359.426 2.449 20 5 FEBDMO CNC(=O)CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000154962250 544971264 /nfs/dbraw/zinc/97/12/64/544971264.db2.gz CXFANAKIZIYSFQ-JTQLQIEISA-N 1 1 356.810 2.033 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182219690 327766221 /nfs/dbraw/zinc/76/62/21/327766221.db2.gz BWJJSZIPOBSATR-ZDUSSCGKSA-N 1 1 362.430 2.112 20 5 FEBDMO COc1cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184366307 327864337 /nfs/dbraw/zinc/86/43/37/327864337.db2.gz ISWWOYJTDLEARC-UHFFFAOYSA-N 1 1 353.394 2.433 20 5 FEBDMO Cc1ccc(NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1Br ZINC000804447024 674287782 /nfs/dbraw/zinc/28/77/82/674287782.db2.gz VEUWIMBTJZLSIF-LLVKDONJSA-N 1 1 357.252 2.323 20 5 FEBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000187316910 328015851 /nfs/dbraw/zinc/01/58/51/328015851.db2.gz PKCCUIAKYRQGJW-SFHVURJKSA-N 1 1 373.457 2.454 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188125154 328067927 /nfs/dbraw/zinc/06/79/27/328067927.db2.gz KRBDIRNZHQMUAL-GFCCVEGCSA-N 1 1 353.444 2.157 20 5 FEBDMO CSc1cccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000188254827 328076062 /nfs/dbraw/zinc/07/60/62/328076062.db2.gz ZADDLNMXBMISJI-CYBMUJFWSA-N 1 1 367.471 2.283 20 5 FEBDMO CC(C)c1ccc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000189778096 328167337 /nfs/dbraw/zinc/16/73/37/328167337.db2.gz CVEVLTCZSDROCM-UHFFFAOYSA-N 1 1 362.474 2.428 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189816960 328169680 /nfs/dbraw/zinc/16/96/80/328169680.db2.gz LYAYOZDMWPHSCC-MRXNPFEDSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000189816960 328169681 /nfs/dbraw/zinc/16/96/81/328169681.db2.gz LYAYOZDMWPHSCC-MRXNPFEDSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000189969690 328179442 /nfs/dbraw/zinc/17/94/42/328179442.db2.gz CMNOCDFFNSYAKA-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190042586 328184404 /nfs/dbraw/zinc/18/44/04/328184404.db2.gz FLIBQHIEGUXKAP-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000192061983 328297649 /nfs/dbraw/zinc/29/76/49/328297649.db2.gz YYJUGOISSFARBA-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)N1 ZINC000193470924 328377187 /nfs/dbraw/zinc/37/71/87/328377187.db2.gz VRNNFZPUVNXBCP-SFHVURJKSA-N 1 1 370.365 2.029 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000081010201 325152840 /nfs/dbraw/zinc/15/28/40/325152840.db2.gz FTJQZYAKQAPAFC-UHFFFAOYSA-N 1 1 357.410 2.497 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096327 325159330 /nfs/dbraw/zinc/15/93/30/325159330.db2.gz UWFYOGDQETUCJM-CZUORRHYSA-N 1 1 364.446 2.204 20 5 FEBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090454 325227980 /nfs/dbraw/zinc/22/79/80/325227980.db2.gz GNVAMXNLAIZKRO-HOTGVXAUSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090454 325227983 /nfs/dbraw/zinc/22/79/83/325227983.db2.gz GNVAMXNLAIZKRO-HOTGVXAUSA-N 1 1 356.444 2.261 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000109983198 325681620 /nfs/dbraw/zinc/68/16/20/325681620.db2.gz UMQMZNGNOKJJIS-OAHLLOKOSA-N 1 1 370.365 2.062 20 5 FEBDMO CN(C)C(=O)c1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118867112 326109661 /nfs/dbraw/zinc/10/96/61/326109661.db2.gz FEGMSIQSCVICIF-INIZCTEOSA-N 1 1 369.425 2.378 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000119934687 326213537 /nfs/dbraw/zinc/21/35/37/326213537.db2.gz XSYHSVSCELBMHT-UHFFFAOYSA-N 1 1 350.419 2.132 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000120112869 326231444 /nfs/dbraw/zinc/23/14/44/326231444.db2.gz OSHYELLGBDBXCB-ZDUSSCGKSA-N 1 1 363.462 2.217 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000121555406 326347586 /nfs/dbraw/zinc/34/75/86/326347586.db2.gz GXTSNAQFURGASS-ZDUSSCGKSA-N 1 1 358.398 2.500 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccncc1 ZINC000121555406 326347588 /nfs/dbraw/zinc/34/75/88/326347588.db2.gz GXTSNAQFURGASS-ZDUSSCGKSA-N 1 1 358.398 2.500 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000121698027 326359124 /nfs/dbraw/zinc/35/91/24/326359124.db2.gz CUMCBNLWKBFPIT-HNNXBMFYSA-N 1 1 355.398 2.193 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000121917737 326375630 /nfs/dbraw/zinc/37/56/30/326375630.db2.gz NTMYVXCKESHOPI-UHFFFAOYSA-N 1 1 368.397 2.300 20 5 FEBDMO [NH3+]C1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000123541777 326435311 /nfs/dbraw/zinc/43/53/11/326435311.db2.gz YFCSIZKZDSTGFW-UHFFFAOYSA-N 1 1 368.242 2.450 20 5 FEBDMO C[NH+](C)Cc1cccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000123705007 326440897 /nfs/dbraw/zinc/44/08/97/326440897.db2.gz HMJDYXBLYUSLPU-UHFFFAOYSA-N 1 1 367.402 2.274 20 5 FEBDMO Cc1sc(S(=O)(=O)NCCCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000124570837 326456197 /nfs/dbraw/zinc/45/61/97/326456197.db2.gz PXLWEOWWUYEJTL-UHFFFAOYSA-N 1 1 358.445 2.228 20 5 FEBDMO COc1cc(C(=O)N(C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000130561308 326559310 /nfs/dbraw/zinc/55/93/10/326559310.db2.gz LQTAKQLXEVEMBY-UHFFFAOYSA-N 1 1 362.386 2.279 20 5 FEBDMO CC(=O)NCCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000150146203 326666006 /nfs/dbraw/zinc/66/60/06/326666006.db2.gz UFWFDTNIALGZOK-UHFFFAOYSA-N 1 1 374.363 2.262 20 5 FEBDMO Cc1cc(N2CCC(N(C)C(=O)c3ccc([N+](=O)[O-])o3)CC2)nc(C)[nH+]1 ZINC000158407843 326894982 /nfs/dbraw/zinc/89/49/82/326894982.db2.gz MNLRAHSSVSHXIP-UHFFFAOYSA-N 1 1 359.386 2.336 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171902792 327168958 /nfs/dbraw/zinc/16/89/58/327168958.db2.gz ATUZIMBBESNLPN-BBRMVZONSA-N 1 1 350.419 2.066 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@H+](C2CC2)CC1 ZINC000172347079 327197315 /nfs/dbraw/zinc/19/73/15/327197315.db2.gz CAHDZIBSGMLLJX-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCN(C2CC2)CC1 ZINC000172347079 327197317 /nfs/dbraw/zinc/19/73/17/327197317.db2.gz CAHDZIBSGMLLJX-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCN(C2CC2)CC1 ZINC000172347079 327197319 /nfs/dbraw/zinc/19/73/19/327197319.db2.gz CAHDZIBSGMLLJX-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000173208205 327241422 /nfs/dbraw/zinc/24/14/22/327241422.db2.gz TYRZRXJDARBJKQ-CQSZACIVSA-N 1 1 370.409 2.432 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000173668486 327275151 /nfs/dbraw/zinc/27/51/51/327275151.db2.gz FJEYRLUHDBODGY-CQSZACIVSA-N 1 1 355.460 2.398 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173670636 327275397 /nfs/dbraw/zinc/27/53/97/327275397.db2.gz WXIOGQMAPNYOHY-ZDUSSCGKSA-N 1 1 371.459 2.098 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173952797 327297224 /nfs/dbraw/zinc/29/72/24/327297224.db2.gz ZGKLMPMXYAEECH-CQSZACIVSA-N 1 1 355.460 2.256 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000174940648 327362667 /nfs/dbraw/zinc/36/26/67/327362667.db2.gz NFOPZTKZGDNVHO-KRWDZBQOSA-N 1 1 371.441 2.162 20 5 FEBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000261948110 328831233 /nfs/dbraw/zinc/83/12/33/328831233.db2.gz LHBUAKFDQBDQFR-QGZVFWFLSA-N 1 1 355.394 2.319 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264522414 329032312 /nfs/dbraw/zinc/03/23/12/329032312.db2.gz MSGYVFPASYQZKF-QPGLYAHGSA-N 1 1 372.469 2.237 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000265133978 329094864 /nfs/dbraw/zinc/09/48/64/329094864.db2.gz SFXHPXQEBIMBLN-UHFFFAOYSA-N 1 1 373.457 2.224 20 5 FEBDMO COc1ccc(NC(=O)CN2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000265457500 329129029 /nfs/dbraw/zinc/12/90/29/329129029.db2.gz DOOQNMOOIAUGQY-UHFFFAOYSA-N 1 1 359.386 2.145 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000265939572 329174817 /nfs/dbraw/zinc/17/48/17/329174817.db2.gz TYFXDVHEDULPJM-NSHDSACASA-N 1 1 365.411 2.102 20 5 FEBDMO COCc1cc([N+](=O)[O-])ccc1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000265998241 329180353 /nfs/dbraw/zinc/18/03/53/329180353.db2.gz KFDBMJYJCFBFBL-GOSISDBHSA-N 1 1 362.474 2.348 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000266741087 329254917 /nfs/dbraw/zinc/25/49/17/329254917.db2.gz QCUBJBKVHMGKPS-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266741087 329254919 /nfs/dbraw/zinc/25/49/19/329254919.db2.gz QCUBJBKVHMGKPS-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000266818017 329262618 /nfs/dbraw/zinc/26/26/18/329262618.db2.gz XIABUWWWCQTWIJ-OCCSQVGLSA-N 1 1 350.419 2.228 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268160909 329391813 /nfs/dbraw/zinc/39/18/13/329391813.db2.gz SXRPLFZWBSPDGE-CYBMUJFWSA-N 1 1 363.414 2.397 20 5 FEBDMO COCC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000273240668 329848380 /nfs/dbraw/zinc/84/83/80/329848380.db2.gz HIKNHKFPQPHQCI-OAHLLOKOSA-N 1 1 359.382 2.444 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275439805 330048886 /nfs/dbraw/zinc/04/88/86/330048886.db2.gz BQVPWKNIGXOHMN-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275439805 330048887 /nfs/dbraw/zinc/04/88/87/330048887.db2.gz BQVPWKNIGXOHMN-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000276461845 330154493 /nfs/dbraw/zinc/15/44/93/330154493.db2.gz WUYVSAXXNVVUIU-ABAIWWIYSA-N 1 1 350.371 2.092 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000276461845 330154494 /nfs/dbraw/zinc/15/44/94/330154494.db2.gz WUYVSAXXNVVUIU-ABAIWWIYSA-N 1 1 350.371 2.092 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000291405341 330191027 /nfs/dbraw/zinc/19/10/27/330191027.db2.gz WRURYOOJRBYOIG-WMLDXEAASA-N 1 1 374.441 2.038 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000433183110 330275308 /nfs/dbraw/zinc/27/53/08/330275308.db2.gz RJPVNBXYRYZDST-OAHLLOKOSA-N 1 1 367.471 2.422 20 5 FEBDMO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000805825427 674355639 /nfs/dbraw/zinc/35/56/39/674355639.db2.gz UWFGYDFOFVHCKU-ZDUSSCGKSA-N 1 1 350.375 2.241 20 5 FEBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000805825427 674355642 /nfs/dbraw/zinc/35/56/42/674355642.db2.gz UWFGYDFOFVHCKU-ZDUSSCGKSA-N 1 1 350.375 2.241 20 5 FEBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000247556400 549356431 /nfs/dbraw/zinc/35/64/31/549356431.db2.gz QJFKVISUWFYELI-QZTJIDSGSA-N 1 1 359.430 2.055 20 5 FEBDMO COc1ccc(CSCC(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000155419335 545524438 /nfs/dbraw/zinc/52/44/38/545524438.db2.gz VZTZDUYTSNKMEN-CHWSQXEVSA-N 1 1 367.471 2.388 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1CCOCC1 ZINC000156164670 545604511 /nfs/dbraw/zinc/60/45/11/545604511.db2.gz IIALKINFQMLGPI-UHFFFAOYSA-N 1 1 351.403 2.290 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCC(CO)CC1 ZINC000156285042 545614122 /nfs/dbraw/zinc/61/41/22/545614122.db2.gz MLMVIAHXPVJRMJ-UHFFFAOYSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000158645465 545881146 /nfs/dbraw/zinc/88/11/46/545881146.db2.gz GVBLFINALIKIEX-AWEZNQCLSA-N 1 1 367.471 2.373 20 5 FEBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000159386871 545948549 /nfs/dbraw/zinc/94/85/49/545948549.db2.gz UZBUDPOECWFCEM-IQIBNGDESA-N 1 1 367.471 2.402 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000159895080 545989729 /nfs/dbraw/zinc/98/97/29/545989729.db2.gz KGWVGMJQLRYGRN-UHFFFAOYSA-N 1 1 353.394 2.164 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000159930456 545992915 /nfs/dbraw/zinc/99/29/15/545992915.db2.gz JPVIRVCJOHQXBG-UHFFFAOYSA-N 1 1 353.394 2.164 20 5 FEBDMO Cc1ccc(NC(=O)N2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000175612586 546319967 /nfs/dbraw/zinc/31/99/67/546319967.db2.gz SSPAPVFJTBZPFW-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000176219448 546420693 /nfs/dbraw/zinc/42/06/93/546420693.db2.gz AUTARXYVUWLAAI-UHFFFAOYSA-N 1 1 356.810 2.035 20 5 FEBDMO CC[C@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000176247824 546423793 /nfs/dbraw/zinc/42/37/93/546423793.db2.gz WLXKLTSPJBETLC-ZDUSSCGKSA-N 1 1 370.413 2.329 20 5 FEBDMO CC[C@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000176247824 546423796 /nfs/dbraw/zinc/42/37/96/546423796.db2.gz WLXKLTSPJBETLC-ZDUSSCGKSA-N 1 1 370.413 2.329 20 5 FEBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000177069535 546537828 /nfs/dbraw/zinc/53/78/28/546537828.db2.gz UKTWONDTJSPIGJ-UHFFFAOYSA-N 1 1 363.393 2.271 20 5 FEBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000177193939 546566916 /nfs/dbraw/zinc/56/69/16/546566916.db2.gz RHNYSQQBPZQMIU-GFCCVEGCSA-N 1 1 353.806 2.043 20 5 FEBDMO Cc1c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217260 546572380 /nfs/dbraw/zinc/57/23/80/546572380.db2.gz XPSXTWCAXCLLHS-CABZTGNLSA-N 1 1 362.386 2.475 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000481031226 561223398 /nfs/dbraw/zinc/22/33/98/561223398.db2.gz AMZIEOZSDIGHMR-LBPRGKRZSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1nsc(N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000177839507 546694594 /nfs/dbraw/zinc/69/45/94/546694594.db2.gz HHFMTXWDHJCGEM-UHFFFAOYSA-N 1 1 363.443 2.346 20 5 FEBDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178859118 546861966 /nfs/dbraw/zinc/86/19/66/546861966.db2.gz LYXBZMTWBAQPFJ-CJNGLKHVSA-N 1 1 365.430 2.475 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737329 561240252 /nfs/dbraw/zinc/24/02/52/561240252.db2.gz CWZZAJTVSJGLJO-HOCLYGCPSA-N 1 1 352.387 2.016 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000481978429 561246768 /nfs/dbraw/zinc/24/67/68/561246768.db2.gz QKVRCJPTCHWEOD-GFCCVEGCSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1ccc([C@@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000482894599 561262530 /nfs/dbraw/zinc/26/25/30/561262530.db2.gz CSPIHBJTSMXDKK-OAHLLOKOSA-N 1 1 362.474 2.497 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180840589 547191785 /nfs/dbraw/zinc/19/17/85/547191785.db2.gz PBVXNEMOOJFATN-SNVBAGLBSA-N 1 1 355.341 2.410 20 5 FEBDMO Cc1ccc(C[N@@H+](CCO)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182518658 547507490 /nfs/dbraw/zinc/50/74/90/547507490.db2.gz NONXRGMFSYVFGJ-QGZVFWFLSA-N 1 1 360.410 2.137 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182876710 547564931 /nfs/dbraw/zinc/56/49/31/547564931.db2.gz WGHMOKOMRKWMOM-SJKOYZFVSA-N 1 1 371.397 2.045 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000182991832 547584185 /nfs/dbraw/zinc/58/41/85/547584185.db2.gz TVSDQMGOMXJGMP-GFCCVEGCSA-N 1 1 359.423 2.005 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183244036 547625741 /nfs/dbraw/zinc/62/57/41/547625741.db2.gz AQHHQXLHNOWZEK-LLVKDONJSA-N 1 1 360.357 2.452 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183244036 547625744 /nfs/dbraw/zinc/62/57/44/547625744.db2.gz AQHHQXLHNOWZEK-LLVKDONJSA-N 1 1 360.357 2.452 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000183525698 547675261 /nfs/dbraw/zinc/67/52/61/547675261.db2.gz RHJLNQWQJQMKGX-CCEZHUSRSA-N 1 1 361.442 2.303 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183782873 547718712 /nfs/dbraw/zinc/71/87/12/547718712.db2.gz BSCGCSUBJNHFMB-IBGZPJMESA-N 1 1 369.421 2.020 20 5 FEBDMO Cc1c(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000183940975 547742037 /nfs/dbraw/zinc/74/20/37/547742037.db2.gz XDLMSNNJINJJBU-UHFFFAOYSA-N 1 1 363.462 2.441 20 5 FEBDMO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000184825310 547883784 /nfs/dbraw/zinc/88/37/84/547883784.db2.gz GXIPYAPOAFSCEO-ZDUSSCGKSA-N 1 1 354.370 2.300 20 5 FEBDMO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1nnnn1-c1ccccc1 ZINC000184825328 547884453 /nfs/dbraw/zinc/88/44/53/547884453.db2.gz GXIPYAPOAFSCEO-CYBMUJFWSA-N 1 1 354.370 2.300 20 5 FEBDMO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ncc(-c2ccccc2)o1 ZINC000184848251 547886226 /nfs/dbraw/zinc/88/62/26/547886226.db2.gz NLRVZDNSECZKHY-SWLSCSKDSA-N 1 1 357.370 2.158 20 5 FEBDMO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@@H+](C)Cc1ccccc1 ZINC000185198600 547949988 /nfs/dbraw/zinc/94/99/88/547949988.db2.gz CTUJSFCTAJFIRJ-CYBMUJFWSA-N 1 1 357.414 2.212 20 5 FEBDMO C[C@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000185490284 547991584 /nfs/dbraw/zinc/99/15/84/547991584.db2.gz LCVYDSBWYFNSPT-LLVKDONJSA-N 1 1 361.427 2.033 20 5 FEBDMO COc1ccc(OCC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000485905350 561331920 /nfs/dbraw/zinc/33/19/20/561331920.db2.gz IUOZPVMPIVADDC-LBPRGKRZSA-N 1 1 353.419 2.217 20 5 FEBDMO COc1ccc(OCC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000485905350 561331921 /nfs/dbraw/zinc/33/19/21/561331921.db2.gz IUOZPVMPIVADDC-LBPRGKRZSA-N 1 1 353.419 2.217 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000186840926 548203794 /nfs/dbraw/zinc/20/37/94/548203794.db2.gz CRYSSGCYSTVXFB-MFKMUULPSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000186840926 548203799 /nfs/dbraw/zinc/20/37/99/548203799.db2.gz CRYSSGCYSTVXFB-MFKMUULPSA-N 1 1 360.357 2.450 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000186901755 548215515 /nfs/dbraw/zinc/21/55/15/548215515.db2.gz QRFOLCOWLDVHAO-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000193947466 548412242 /nfs/dbraw/zinc/41/22/42/548412242.db2.gz LKIXEYLDKGDXLB-ZDUSSCGKSA-N 1 1 350.419 2.135 20 5 FEBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])s1 ZINC000486723005 561355177 /nfs/dbraw/zinc/35/51/77/561355177.db2.gz JCWKRCSFGNHCIT-UHFFFAOYSA-N 1 1 361.423 2.419 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000194767605 548530251 /nfs/dbraw/zinc/53/02/51/548530251.db2.gz HVOHTYWVGWUGKU-INIZCTEOSA-N 1 1 360.458 2.145 20 5 FEBDMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000245931437 549022999 /nfs/dbraw/zinc/02/29/99/549022999.db2.gz UYJZWSFGYLEWQG-JKSUJKDBSA-N 1 1 373.384 2.099 20 5 FEBDMO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246160890 549066729 /nfs/dbraw/zinc/06/67/29/549066729.db2.gz NVKGGEVEGDOSGN-HUUCEWRRSA-N 1 1 361.446 2.267 20 5 FEBDMO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246160890 549066733 /nfs/dbraw/zinc/06/67/33/549066733.db2.gz NVKGGEVEGDOSGN-HUUCEWRRSA-N 1 1 361.446 2.267 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246520471 549151913 /nfs/dbraw/zinc/15/19/13/549151913.db2.gz KSVRFLVIDRCWRI-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000488718753 561395189 /nfs/dbraw/zinc/39/51/89/561395189.db2.gz NAMRGMGFEBZWFH-CYBMUJFWSA-N 1 1 367.471 2.309 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000246699095 549191229 /nfs/dbraw/zinc/19/12/29/549191229.db2.gz WDGBWYUCHKODJR-JSGCOSHPSA-N 1 1 363.414 2.168 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246705198 549192676 /nfs/dbraw/zinc/19/26/76/549192676.db2.gz ZNJPWGVKOZQXKQ-IUODEOHRSA-N 1 1 355.460 2.118 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246762996 549207120 /nfs/dbraw/zinc/20/71/20/549207120.db2.gz KIUBCFPDLUNXBZ-RDJZCZTQSA-N 1 1 363.458 2.391 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247014725 549265587 /nfs/dbraw/zinc/26/55/87/549265587.db2.gz PYYYJXYZFUJNQA-ZBFHGGJFSA-N 1 1 363.462 2.213 20 5 FEBDMO NC(=O)c1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000247746571 549376566 /nfs/dbraw/zinc/37/65/66/549376566.db2.gz QBIOQCQGAOALJC-UHFFFAOYSA-N 1 1 354.410 2.406 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000247947618 549394028 /nfs/dbraw/zinc/39/40/28/549394028.db2.gz DRGMVYGFNQVMOF-GXTWGEPZSA-N 1 1 363.414 2.168 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000489325754 561408205 /nfs/dbraw/zinc/40/82/05/561408205.db2.gz JONAKMVKTNYMMG-INIZCTEOSA-N 1 1 363.414 2.184 20 5 FEBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248660269 549478312 /nfs/dbraw/zinc/47/83/12/549478312.db2.gz HHHQQCBPRVWZNO-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000248660269 549478315 /nfs/dbraw/zinc/47/83/15/549478315.db2.gz HHHQQCBPRVWZNO-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000249340684 549582384 /nfs/dbraw/zinc/58/23/84/549582384.db2.gz DGXUFSHFSXETKN-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000249365927 549584378 /nfs/dbraw/zinc/58/43/78/549584378.db2.gz MNEISASVNBDCTL-QWHCGFSZSA-N 1 1 367.421 2.141 20 5 FEBDMO C[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000249832745 549632402 /nfs/dbraw/zinc/63/24/02/549632402.db2.gz PUXLQLUTHTVPGG-QUCCMNQESA-N 1 1 371.437 2.323 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1 ZINC000261601140 549733166 /nfs/dbraw/zinc/73/31/66/549733166.db2.gz ACJRARODMKJPQI-INIZCTEOSA-N 1 1 365.386 2.069 20 5 FEBDMO [NH3+]C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1c1ccccc1 ZINC000262315197 549809976 /nfs/dbraw/zinc/80/99/76/549809976.db2.gz ZMCXHJNARXNMIA-CJNGLKHVSA-N 1 1 365.393 2.286 20 5 FEBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000263647937 549912426 /nfs/dbraw/zinc/91/24/26/549912426.db2.gz BARHQKYGNZPXEQ-SFHVURJKSA-N 1 1 355.394 2.440 20 5 FEBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1OCCc2ccccc21 ZINC000263647937 549912429 /nfs/dbraw/zinc/91/24/29/549912429.db2.gz BARHQKYGNZPXEQ-SFHVURJKSA-N 1 1 355.394 2.440 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261520 550041882 /nfs/dbraw/zinc/04/18/82/550041882.db2.gz ZIWOAMYIMKISSM-SUMWQHHRSA-N 1 1 358.442 2.408 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000268293214 550045748 /nfs/dbraw/zinc/04/57/48/550045748.db2.gz ZTRUCXMKVBRAJH-RISCZKNCSA-N 1 1 363.414 2.215 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268577465 550089387 /nfs/dbraw/zinc/08/93/87/550089387.db2.gz SJBOTLUWQOQBKO-QGZVFWFLSA-N 1 1 360.458 2.227 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121263 550157682 /nfs/dbraw/zinc/15/76/82/550157682.db2.gz DBWPSLLWCWILJR-YJBOKZPZSA-N 1 1 356.426 2.492 20 5 FEBDMO C[NH+](C)CCOc1ccc(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000269169590 550163286 /nfs/dbraw/zinc/16/32/86/550163286.db2.gz HDEJGJHHUGKQBZ-UHFFFAOYSA-N 1 1 359.382 2.171 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000269270577 550174870 /nfs/dbraw/zinc/17/48/70/550174870.db2.gz FYAOUKJZVICYFN-UHFFFAOYSA-N 1 1 372.834 2.430 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@H](C)O1 ZINC000493638783 561457335 /nfs/dbraw/zinc/45/73/35/561457335.db2.gz WCWOYBPVNMRFIQ-BETUJISGSA-N 1 1 360.414 2.305 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493735194 561457885 /nfs/dbraw/zinc/45/78/85/561457885.db2.gz HHTFOXMBKPEOAB-CQSZACIVSA-N 1 1 355.460 2.364 20 5 FEBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000272252724 550431562 /nfs/dbraw/zinc/43/15/62/550431562.db2.gz CEWIQPLRMUUPEP-GXFFZTMASA-N 1 1 360.357 2.450 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000272262672 550432439 /nfs/dbraw/zinc/43/24/39/550432439.db2.gz AVIMHEJZYXSGQR-BDJLRTHQSA-N 1 1 356.382 2.015 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272410107 550445322 /nfs/dbraw/zinc/44/53/22/550445322.db2.gz CBHVFQDPMDSCOA-WCQYABFASA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272410107 550445323 /nfs/dbraw/zinc/44/53/23/550445323.db2.gz CBHVFQDPMDSCOA-WCQYABFASA-N 1 1 373.862 2.271 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272571128 550458398 /nfs/dbraw/zinc/45/83/98/550458398.db2.gz LGOUUQODUJRDGR-IAQYHMDHSA-N 1 1 352.822 2.484 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277169094 550639259 /nfs/dbraw/zinc/63/92/59/550639259.db2.gz KQUUPOHYORELAD-OZAJXLCCSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277169094 550639260 /nfs/dbraw/zinc/63/92/60/550639260.db2.gz KQUUPOHYORELAD-OZAJXLCCSA-N 1 1 353.444 2.075 20 5 FEBDMO CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497356 550792577 /nfs/dbraw/zinc/79/25/77/550792577.db2.gz WIKNCQLJLBLGNO-CQSZACIVSA-N 1 1 357.414 2.227 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497356 550792579 /nfs/dbraw/zinc/79/25/79/550792579.db2.gz WIKNCQLJLBLGNO-CQSZACIVSA-N 1 1 357.414 2.227 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497356 550792581 /nfs/dbraw/zinc/79/25/81/550792581.db2.gz WIKNCQLJLBLGNO-CQSZACIVSA-N 1 1 357.414 2.227 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000278555881 550798705 /nfs/dbraw/zinc/79/87/05/550798705.db2.gz MBRDKTSFWLCVFE-CHWSQXEVSA-N 1 1 350.419 2.130 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000278570811 550799998 /nfs/dbraw/zinc/79/99/98/550799998.db2.gz PMKVUPRFEYIJGN-GFCCVEGCSA-N 1 1 355.822 2.479 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000279188845 550863200 /nfs/dbraw/zinc/86/32/00/550863200.db2.gz LCSQKFURKMRGBN-GFCCVEGCSA-N 1 1 352.410 2.214 20 5 FEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000279436206 550890069 /nfs/dbraw/zinc/89/00/69/550890069.db2.gz ORDZGCQVQTUIOZ-LERPRCHQSA-N 1 1 365.455 2.108 20 5 FEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000279436206 550890071 /nfs/dbraw/zinc/89/00/71/550890071.db2.gz ORDZGCQVQTUIOZ-LERPRCHQSA-N 1 1 365.455 2.108 20 5 FEBDMO CC(=O)N1CCC[C@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279617131 550908846 /nfs/dbraw/zinc/90/88/46/550908846.db2.gz AJOYDNSBBFRERQ-QAPCUYQASA-N 1 1 371.441 2.266 20 5 FEBDMO O=C(NCC[N@@H+]1CC=CCC1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000280282798 550976501 /nfs/dbraw/zinc/97/65/01/550976501.db2.gz QNMGAZVKKRGGMD-UHFFFAOYSA-N 1 1 358.442 2.189 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280962766 551049696 /nfs/dbraw/zinc/04/96/96/551049696.db2.gz NMTBADVDDRTBMC-UHFFFAOYSA-N 1 1 372.425 2.355 20 5 FEBDMO CN(CCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1Br ZINC000281345047 551086774 /nfs/dbraw/zinc/08/67/74/551086774.db2.gz WTRKPVIVUNLDPN-UHFFFAOYSA-N 1 1 371.279 2.431 20 5 FEBDMO CC[C@@H](C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(=O)OC ZINC000281337243 551086357 /nfs/dbraw/zinc/08/63/57/551086357.db2.gz MFKOKKHULJBZBC-GFCCVEGCSA-N 1 1 367.402 2.206 20 5 FEBDMO NC(=O)c1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000281709283 551133466 /nfs/dbraw/zinc/13/34/66/551133466.db2.gz OLCVNNCAGOUPQP-IBGZPJMESA-N 1 1 355.394 2.007 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000282852756 551277739 /nfs/dbraw/zinc/27/77/39/551277739.db2.gz SJPWAKJVOLHNFN-CQSZACIVSA-N 1 1 365.430 2.224 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cncc4ccccc43)CC2)n1 ZINC000283111402 551313546 /nfs/dbraw/zinc/31/35/46/551313546.db2.gz MPEJXNWDVTTXBR-UHFFFAOYSA-N 1 1 352.398 2.162 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000284898293 551662095 /nfs/dbraw/zinc/66/20/95/551662095.db2.gz RRNOFBVWVNONRE-IRXDYDNUSA-N 1 1 372.425 2.197 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1F ZINC000284916062 551666137 /nfs/dbraw/zinc/66/61/37/551666137.db2.gz MXSOCBCTGARHHH-ZDUSSCGKSA-N 1 1 365.405 2.368 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000285450633 551758747 /nfs/dbraw/zinc/75/87/47/551758747.db2.gz YKQPKHFKQQWLBJ-GOSISDBHSA-N 1 1 363.414 2.113 20 5 FEBDMO C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000285775291 551809084 /nfs/dbraw/zinc/80/90/84/551809084.db2.gz MJGOQPCPURXPDF-OAHLLOKOSA-N 1 1 354.410 2.176 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000285775291 551809086 /nfs/dbraw/zinc/80/90/86/551809086.db2.gz MJGOQPCPURXPDF-OAHLLOKOSA-N 1 1 354.410 2.176 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H](C)[S@@]1=O ZINC000285827799 551816112 /nfs/dbraw/zinc/81/61/12/551816112.db2.gz HCXHSKQHILWAAA-GLAPUPDPSA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H](C)[S@@]1=O ZINC000285827799 551816113 /nfs/dbraw/zinc/81/61/13/551816113.db2.gz HCXHSKQHILWAAA-GLAPUPDPSA-N 1 1 367.471 2.463 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286133162 551852662 /nfs/dbraw/zinc/85/26/62/551852662.db2.gz WMCQFUDVQLOXKS-NWDGAFQWSA-N 1 1 371.384 2.236 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286133162 551852664 /nfs/dbraw/zinc/85/26/64/551852664.db2.gz WMCQFUDVQLOXKS-NWDGAFQWSA-N 1 1 371.384 2.236 20 5 FEBDMO CCOC(=O)c1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286515582 551894988 /nfs/dbraw/zinc/89/49/88/551894988.db2.gz ZEUWYPDMZHTTKR-HIFRSBDPSA-N 1 1 363.414 2.071 20 5 FEBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000288187029 552106558 /nfs/dbraw/zinc/10/65/58/552106558.db2.gz GCNAMFPVYHZFPG-SFHVURJKSA-N 1 1 361.442 2.239 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288479712 552160526 /nfs/dbraw/zinc/16/05/26/552160526.db2.gz QXIKOWQBKTWGEI-SFHVURJKSA-N 1 1 355.398 2.056 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000500102473 561566029 /nfs/dbraw/zinc/56/60/29/561566029.db2.gz MZIFSHGXIFOOMQ-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO C[C@H](c1cccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000290657867 552514399 /nfs/dbraw/zinc/51/43/99/552514399.db2.gz POMXYBFSCXMDHA-GFCCVEGCSA-N 1 1 371.397 2.226 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CCC2)C1 ZINC000291609139 552642815 /nfs/dbraw/zinc/64/28/15/552642815.db2.gz AXUHTFUOXSASED-GFCCVEGCSA-N 1 1 371.434 2.229 20 5 FEBDMO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000292154865 552698942 /nfs/dbraw/zinc/69/89/42/552698942.db2.gz KHZVXRDFLRAXHY-CRAIPNDOSA-N 1 1 363.458 2.141 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292827934 552762364 /nfs/dbraw/zinc/76/23/64/552762364.db2.gz OPCWDMVEIQERAU-INIZCTEOSA-N 1 1 353.444 2.010 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)[C@H]2C1 ZINC000292883208 552768152 /nfs/dbraw/zinc/76/81/52/552768152.db2.gz VALROEWVLXNNRT-UONOGXRCSA-N 1 1 357.357 2.496 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000293992081 552873517 /nfs/dbraw/zinc/87/35/17/552873517.db2.gz OAWQSUMVUIUBAT-TXEJJXNPSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1OC ZINC000293992081 552873518 /nfs/dbraw/zinc/87/35/18/552873518.db2.gz OAWQSUMVUIUBAT-TXEJJXNPSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000294055167 552878390 /nfs/dbraw/zinc/87/83/90/552878390.db2.gz UNZMQWAGDPCJAH-AOOOYVTPSA-N 1 1 373.356 2.369 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000294055167 552878391 /nfs/dbraw/zinc/87/83/91/552878391.db2.gz UNZMQWAGDPCJAH-AOOOYVTPSA-N 1 1 373.356 2.369 20 5 FEBDMO Cc1nn([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128307 552884124 /nfs/dbraw/zinc/88/41/24/552884124.db2.gz FGKPFKIRRLLXEF-HOCLYGCPSA-N 1 1 357.414 2.051 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000295274067 552980173 /nfs/dbraw/zinc/98/01/73/552980173.db2.gz HWBVRCFJTXJQKQ-YOGCLGLASA-N 1 1 373.862 2.460 20 5 FEBDMO COc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000295393349 552998969 /nfs/dbraw/zinc/99/89/69/552998969.db2.gz QSYYPTLMHGEAAQ-LBPRGKRZSA-N 1 1 363.414 2.168 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000296322968 553140880 /nfs/dbraw/zinc/14/08/80/553140880.db2.gz SLNXZYKDLXOSGS-GFCCVEGCSA-N 1 1 374.441 2.093 20 5 FEBDMO NC(=O)c1cccc(C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000296582995 553183146 /nfs/dbraw/zinc/18/31/46/553183146.db2.gz DYUVCVIYBHYJGG-SFHVURJKSA-N 1 1 355.394 2.392 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000297933797 553359370 /nfs/dbraw/zinc/35/93/70/553359370.db2.gz RLAMSDDDIUFXEH-CYBMUJFWSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000297988864 553367582 /nfs/dbraw/zinc/36/75/82/553367582.db2.gz AGEVCZIDASZSGL-INIZCTEOSA-N 1 1 363.414 2.311 20 5 FEBDMO C[C@]12CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]1C2(F)F ZINC000298230419 553401047 /nfs/dbraw/zinc/40/10/47/553401047.db2.gz HIFMEORXMDJFNC-ZBFHGGJFSA-N 1 1 351.353 2.461 20 5 FEBDMO C[C@]12CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@H]1C2(F)F ZINC000298230419 553401050 /nfs/dbraw/zinc/40/10/50/553401050.db2.gz HIFMEORXMDJFNC-ZBFHGGJFSA-N 1 1 351.353 2.461 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000298348228 553415030 /nfs/dbraw/zinc/41/50/30/553415030.db2.gz MLCQURPBWUHUKQ-MRXNPFEDSA-N 1 1 363.414 2.311 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000299219116 553532301 /nfs/dbraw/zinc/53/23/01/553532301.db2.gz IHMPQGHFDGKCLD-OAHLLOKOSA-N 1 1 362.430 2.175 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](CO)CC(C)C ZINC000299223155 553533214 /nfs/dbraw/zinc/53/32/14/553533214.db2.gz HZRLWIJAPKZGSH-CQSZACIVSA-N 1 1 353.419 2.271 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000504302706 561655906 /nfs/dbraw/zinc/65/59/06/561655906.db2.gz OKLBDQWPCQFKJY-JKSUJKDBSA-N 1 1 373.457 2.053 20 5 FEBDMO CC(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[N@H+]1CCc2ccccc2C1 ZINC000301105914 553622193 /nfs/dbraw/zinc/62/21/93/553622193.db2.gz NFSFDUAVKCDCLV-HNNXBMFYSA-N 1 1 356.430 2.462 20 5 FEBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301283634 553638947 /nfs/dbraw/zinc/63/89/47/553638947.db2.gz NNPMWHKZCYEKEP-ZFWWWQNUSA-N 1 1 369.425 2.232 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000301469379 553653864 /nfs/dbraw/zinc/65/38/64/553653864.db2.gz RVGAKFYTNDOJON-HNNXBMFYSA-N 1 1 367.409 2.010 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301690820 553671860 /nfs/dbraw/zinc/67/18/60/553671860.db2.gz NOLXVKSOXMQJCR-LLVKDONJSA-N 1 1 359.224 2.275 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302141649 553706648 /nfs/dbraw/zinc/70/66/48/553706648.db2.gz PCVWNEIVRIPVLV-BETUJISGSA-N 1 1 370.475 2.022 20 5 FEBDMO CC1(C)CN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000302499960 553719181 /nfs/dbraw/zinc/71/91/81/553719181.db2.gz CNECZIGLWDKMFW-UHFFFAOYSA-N 1 1 358.236 2.250 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000302632088 553723655 /nfs/dbraw/zinc/72/36/55/553723655.db2.gz JKAZILAJVKMDCG-AWEZNQCLSA-N 1 1 353.444 2.063 20 5 FEBDMO COC(=O)c1cnc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000302792732 553733153 /nfs/dbraw/zinc/73/31/53/553733153.db2.gz ZSOIXWSPIGINOS-UHFFFAOYSA-N 1 1 356.382 2.099 20 5 FEBDMO [NH3+]CCC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000327781165 553791459 /nfs/dbraw/zinc/79/14/59/553791459.db2.gz XQHAECPTMMCEDO-CQSZACIVSA-N 1 1 367.402 2.492 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000330886482 554183664 /nfs/dbraw/zinc/18/36/64/554183664.db2.gz GKFUEBZLSGCILQ-CQSZACIVSA-N 1 1 355.460 2.256 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000331031438 554203420 /nfs/dbraw/zinc/20/34/20/554203420.db2.gz GNGLHHJRJPFVRD-CQSZACIVSA-N 1 1 355.460 2.363 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331225013 554233690 /nfs/dbraw/zinc/23/36/90/554233690.db2.gz XHTGZHSODQSKFP-RYUDHWBXSA-N 1 1 367.450 2.059 20 5 FEBDMO Cc1csc([C@@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000331415973 554260790 /nfs/dbraw/zinc/26/07/90/554260790.db2.gz HIXGQJGZJVLWLF-KGLIPLIRSA-N 1 1 351.432 2.144 20 5 FEBDMO Cc1csc([C@@H]2CCCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000331415973 554260794 /nfs/dbraw/zinc/26/07/94/554260794.db2.gz HIXGQJGZJVLWLF-KGLIPLIRSA-N 1 1 351.432 2.144 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000331450513 554266797 /nfs/dbraw/zinc/26/67/97/554266797.db2.gz FOUFBFMXNCWDQX-LKFCYVNXSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000331450513 554266798 /nfs/dbraw/zinc/26/67/98/554266798.db2.gz FOUFBFMXNCWDQX-LKFCYVNXSA-N 1 1 373.862 2.318 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1CC ZINC000510978622 561852912 /nfs/dbraw/zinc/85/29/12/561852912.db2.gz ASEKSGYYIXZQKO-HNNXBMFYSA-N 1 1 355.460 2.310 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC(=O)NCc1ccccc1 ZINC000511094717 561856615 /nfs/dbraw/zinc/85/66/15/561856615.db2.gz TWIRPUYIDMLTSK-UHFFFAOYSA-N 1 1 370.409 2.095 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC(=O)NCc1ccccc1 ZINC000511094717 561856616 /nfs/dbraw/zinc/85/66/16/561856616.db2.gz TWIRPUYIDMLTSK-UHFFFAOYSA-N 1 1 370.409 2.095 20 5 FEBDMO Cn1cc([N+](=O)[O-])cc1-c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000349861352 554747210 /nfs/dbraw/zinc/74/72/10/554747210.db2.gz QPYKLHJIPZJWLF-UHFFFAOYSA-N 1 1 369.381 2.483 20 5 FEBDMO C[N@@H+](CCN1CCN(c2ccncc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000511374956 561867280 /nfs/dbraw/zinc/86/72/80/561867280.db2.gz BZZMWNVWGUIUGE-UHFFFAOYSA-N 1 1 355.442 2.244 20 5 FEBDMO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000360973664 554898383 /nfs/dbraw/zinc/89/83/83/554898383.db2.gz VMOGFADGAOVXNT-ZDUSSCGKSA-N 1 1 353.854 2.248 20 5 FEBDMO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000360973664 554898385 /nfs/dbraw/zinc/89/83/85/554898385.db2.gz VMOGFADGAOVXNT-ZDUSSCGKSA-N 1 1 353.854 2.248 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000362388286 554968325 /nfs/dbraw/zinc/96/83/25/554968325.db2.gz CXAQLACZSHKJMA-CABCVRRESA-N 1 1 361.398 2.128 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787823 554988627 /nfs/dbraw/zinc/98/86/27/554988627.db2.gz LCBLCUDWFQLBKC-IRXDYDNUSA-N 1 1 374.441 2.132 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363260004 555066017 /nfs/dbraw/zinc/06/60/17/555066017.db2.gz SAWRDXWVJIUURI-NOLJZWGESA-N 1 1 363.389 2.055 20 5 FEBDMO Cc1cccc(N2CCC(Nc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000363357877 555085319 /nfs/dbraw/zinc/08/53/19/555085319.db2.gz XCKANYCQGPPLEG-UHFFFAOYSA-N 1 1 355.398 2.478 20 5 FEBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000363518118 555125857 /nfs/dbraw/zinc/12/58/57/555125857.db2.gz REUDBKBWOVHAKF-AHKGRUIUSA-N 1 1 359.426 2.321 20 5 FEBDMO COC(=O)c1cn([C@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)nn1 ZINC000363901237 555209803 /nfs/dbraw/zinc/20/98/03/555209803.db2.gz YVPOWFVLUWHBSY-OCCSQVGLSA-N 1 1 359.386 2.289 20 5 FEBDMO Cc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364044406 555239467 /nfs/dbraw/zinc/23/94/67/555239467.db2.gz XAEGXDBAICIQLC-STQMWFEESA-N 1 1 362.386 2.476 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000364394859 555305604 /nfs/dbraw/zinc/30/56/04/555305604.db2.gz VLKYGGBRORRGJO-ZBFHGGJFSA-N 1 1 359.361 2.118 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000364394859 555305605 /nfs/dbraw/zinc/30/56/05/555305605.db2.gz VLKYGGBRORRGJO-ZBFHGGJFSA-N 1 1 359.361 2.118 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)c([N+](=O)[O-])c1 ZINC000364588407 555345887 /nfs/dbraw/zinc/34/58/87/555345887.db2.gz JHMZQWANISHOAF-UHFFFAOYSA-N 1 1 372.385 2.420 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364625795 555356448 /nfs/dbraw/zinc/35/64/48/555356448.db2.gz KCWWQAMFOSUSJU-BMGDILEWSA-N 1 1 359.426 2.229 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1(C)C ZINC000364764729 555396406 /nfs/dbraw/zinc/39/64/06/555396406.db2.gz PZLNFENCWPDTPE-ZDUSSCGKSA-N 1 1 360.370 2.276 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1(C)C ZINC000364764729 555396407 /nfs/dbraw/zinc/39/64/07/555396407.db2.gz PZLNFENCWPDTPE-ZDUSSCGKSA-N 1 1 360.370 2.276 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000364938353 555444090 /nfs/dbraw/zinc/44/40/90/555444090.db2.gz GPSJHHLHIMGSAM-CQSZACIVSA-N 1 1 367.421 2.408 20 5 FEBDMO C[C@@H](CO)[N@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000364952478 555448449 /nfs/dbraw/zinc/44/84/49/555448449.db2.gz CQANFWHRDIOICE-NSHDSACASA-N 1 1 358.236 2.250 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000365376421 555557533 /nfs/dbraw/zinc/55/75/33/555557533.db2.gz BTVNVOAQTYZASE-UONOGXRCSA-N 1 1 365.434 2.123 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000365542942 555604463 /nfs/dbraw/zinc/60/44/63/555604463.db2.gz ANADFKZESLUIBX-KKUMJFAQSA-N 1 1 374.397 2.368 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@H]2[C@@H]1c1ccccc1 ZINC000365629528 555627051 /nfs/dbraw/zinc/62/70/51/555627051.db2.gz MYEYRENIWPRXBH-INMHGKMJSA-N 1 1 368.393 2.070 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@@H](Oc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365738284 555655528 /nfs/dbraw/zinc/65/55/28/555655528.db2.gz SFKKLLADTGCDIY-QZTJIDSGSA-N 1 1 368.393 2.248 20 5 FEBDMO O=C1[C@H]([N@H+]2CC[C@@H](Oc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365738284 555655530 /nfs/dbraw/zinc/65/55/30/555655530.db2.gz SFKKLLADTGCDIY-QZTJIDSGSA-N 1 1 368.393 2.248 20 5 FEBDMO C[C@@]1([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000366388816 555830379 /nfs/dbraw/zinc/83/03/79/555830379.db2.gz LLKQFWASGNFVQD-BZNIZROVSA-N 1 1 366.805 2.058 20 5 FEBDMO Cc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366849286 555950663 /nfs/dbraw/zinc/95/06/63/555950663.db2.gz JKWNRJUTXPVOQT-KRWDZBQOSA-N 1 1 369.425 2.271 20 5 FEBDMO Nc1nccc([C@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366991762 555991299 /nfs/dbraw/zinc/99/12/99/555991299.db2.gz ZRZWMUJGWBCWJU-AWEZNQCLSA-N 1 1 357.414 2.616 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000367284602 556007983 /nfs/dbraw/zinc/00/79/83/556007983.db2.gz FHVXMEAPJHUVNC-OAHLLOKOSA-N 1 1 357.414 2.445 20 5 FEBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000367288183 556008674 /nfs/dbraw/zinc/00/86/74/556008674.db2.gz VJGVQOWNKXGGHX-NSHDSACASA-N 1 1 363.748 2.083 20 5 FEBDMO CC(C)(C[N@@H+]1CCn2ccnc2C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367942897 556178507 /nfs/dbraw/zinc/17/85/07/556178507.db2.gz QOPUBZLKJBVWKX-UHFFFAOYSA-N 1 1 369.425 2.222 20 5 FEBDMO CC(C)(C[N@H+]1CCn2ccnc2C1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367942897 556178510 /nfs/dbraw/zinc/17/85/10/556178510.db2.gz QOPUBZLKJBVWKX-UHFFFAOYSA-N 1 1 369.425 2.222 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000515416547 562009809 /nfs/dbraw/zinc/00/98/09/562009809.db2.gz ZDXKFNXKWGKOSW-CQSZACIVSA-N 1 1 366.466 2.258 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000368801482 556416366 /nfs/dbraw/zinc/41/63/66/556416366.db2.gz XMLMZLCGGXJJJG-UHFFFAOYSA-N 1 1 361.398 2.107 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000368951769 556457791 /nfs/dbraw/zinc/45/77/91/556457791.db2.gz RUOIWAPDCVRHTF-HNNXBMFYSA-N 1 1 355.442 2.723 20 5 FEBDMO C[NH+]1CCC(N2CC[C@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000368951769 556457792 /nfs/dbraw/zinc/45/77/92/556457792.db2.gz RUOIWAPDCVRHTF-HNNXBMFYSA-N 1 1 355.442 2.723 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000368964544 556460611 /nfs/dbraw/zinc/46/06/11/556460611.db2.gz GLXMHBGNIQKJER-DOTOQJQBSA-N 1 1 363.458 2.079 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000368966278 556461469 /nfs/dbraw/zinc/46/14/69/556461469.db2.gz YBWLSWHPWWQSQA-UHFFFAOYSA-N 1 1 362.352 2.292 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000369007793 556474454 /nfs/dbraw/zinc/47/44/54/556474454.db2.gz AYUUWUCTJLOSCQ-MRXNPFEDSA-N 1 1 362.430 2.372 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000369007793 556474457 /nfs/dbraw/zinc/47/44/57/556474457.db2.gz AYUUWUCTJLOSCQ-MRXNPFEDSA-N 1 1 362.430 2.372 20 5 FEBDMO Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000369164022 556523219 /nfs/dbraw/zinc/52/32/19/556523219.db2.gz NPTBJJWJJNSNRI-OAHLLOKOSA-N 1 1 369.425 2.214 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369657442 556660883 /nfs/dbraw/zinc/66/08/83/556660883.db2.gz BKOXKSQXZGNLGR-XIRDDKMYSA-N 1 1 374.441 2.229 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000370035102 556762867 /nfs/dbraw/zinc/76/28/67/556762867.db2.gz CDNKDERGPDPZOQ-UHFFFAOYSA-N 1 1 361.377 2.318 20 5 FEBDMO CN(Cc1cccs1)C(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370059714 556769865 /nfs/dbraw/zinc/76/98/65/556769865.db2.gz KKCFLBPZVCXJFC-UHFFFAOYSA-N 1 1 363.443 2.148 20 5 FEBDMO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]2N1 ZINC000370712546 556946401 /nfs/dbraw/zinc/94/64/01/556946401.db2.gz WHFMSXOHRCAARG-JKSUJKDBSA-N 1 1 373.434 2.413 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000370992075 557038594 /nfs/dbraw/zinc/03/85/94/557038594.db2.gz MOYFJYFGDYXCQZ-KGLIPLIRSA-N 1 1 363.414 2.290 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371821683 557303030 /nfs/dbraw/zinc/30/30/30/557303030.db2.gz BYQPISPVUSMVKA-VOGRQWBCSA-N 1 1 372.469 2.283 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371821683 557303033 /nfs/dbraw/zinc/30/30/33/557303033.db2.gz BYQPISPVUSMVKA-VOGRQWBCSA-N 1 1 372.469 2.283 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)cc1[N+](=O)[O-] ZINC000518342609 562108983 /nfs/dbraw/zinc/10/89/83/562108983.db2.gz ADLKNZQIXPODFU-KRWDZBQOSA-N 1 1 367.471 2.318 20 5 FEBDMO COc1ccc(-c2ccc(CNC[C@H]3C[N@H+](C)CCN3C)o2)c([N+](=O)[O-])c1 ZINC000518452545 562111841 /nfs/dbraw/zinc/11/18/41/562111841.db2.gz LTKLUXHKTMPBKQ-AWEZNQCLSA-N 1 1 374.441 2.199 20 5 FEBDMO COc1ccc(-c2ccc(CNC[C@H]3C[N@@H+](C)CCN3C)o2)c([N+](=O)[O-])c1 ZINC000518452545 562111842 /nfs/dbraw/zinc/11/18/42/562111842.db2.gz LTKLUXHKTMPBKQ-AWEZNQCLSA-N 1 1 374.441 2.199 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372591027 557514473 /nfs/dbraw/zinc/51/44/73/557514473.db2.gz RSDHRZMJHFGHAM-QGZVFWFLSA-N 1 1 371.441 2.304 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000372613625 557521088 /nfs/dbraw/zinc/52/10/88/557521088.db2.gz RSLFSCOPNOHYKA-KRWDZBQOSA-N 1 1 360.389 2.375 20 5 FEBDMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722781 557547380 /nfs/dbraw/zinc/54/73/80/557547380.db2.gz BQLKSQDQTHJLMA-DOTOQJQBSA-N 1 1 370.409 2.374 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000372967924 557599249 /nfs/dbraw/zinc/59/92/49/557599249.db2.gz PYRORFISRRKQEQ-QPJJXVBHSA-N 1 1 355.398 2.127 20 5 FEBDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373112981 557631243 /nfs/dbraw/zinc/63/12/43/557631243.db2.gz PDPXOLLLLUIVHT-PBHICJAKSA-N 1 1 373.413 2.189 20 5 FEBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000373672500 557735889 /nfs/dbraw/zinc/73/58/89/557735889.db2.gz IEPDOFADDIGQBG-LSDHHAIUSA-N 1 1 362.430 2.008 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374012515 557807234 /nfs/dbraw/zinc/80/72/34/557807234.db2.gz FGVCINZNAIIMNC-KJWYOANISA-N 1 1 350.415 2.287 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374012515 557807235 /nfs/dbraw/zinc/80/72/35/557807235.db2.gz FGVCINZNAIIMNC-KJWYOANISA-N 1 1 350.415 2.287 20 5 FEBDMO O=C(C[NH+]1CCC(OCC2CC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374092883 557822329 /nfs/dbraw/zinc/82/23/29/557822329.db2.gz LAIXHEADECWJIF-UHFFFAOYSA-N 1 1 359.426 2.375 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000374585917 557902901 /nfs/dbraw/zinc/90/29/01/557902901.db2.gz LMRQEVUGFCRAJB-WRFANHODSA-N 1 1 350.415 2.080 20 5 FEBDMO CN(C)c1noc([C@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000374636083 557910173 /nfs/dbraw/zinc/91/01/73/557910173.db2.gz KWHMXGDXBXPRIC-ZDUSSCGKSA-N 1 1 361.402 2.302 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000374666471 557914136 /nfs/dbraw/zinc/91/41/36/557914136.db2.gz UYCFUKQYKQVURF-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](OC)CC1 ZINC000374666471 557914137 /nfs/dbraw/zinc/91/41/37/557914137.db2.gz UYCFUKQYKQVURF-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000374911546 557950366 /nfs/dbraw/zinc/95/03/66/557950366.db2.gz IZINQOBRGCDAGR-CRAIPNDOSA-N 1 1 373.457 2.050 20 5 FEBDMO C[C@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000374911546 557950367 /nfs/dbraw/zinc/95/03/67/557950367.db2.gz IZINQOBRGCDAGR-CRAIPNDOSA-N 1 1 373.457 2.050 20 5 FEBDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000375090137 557976480 /nfs/dbraw/zinc/97/64/80/557976480.db2.gz KVXDGRNYILTMSG-LBPRGKRZSA-N 1 1 359.386 2.240 20 5 FEBDMO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)nn1 ZINC000375173990 557987417 /nfs/dbraw/zinc/98/74/17/557987417.db2.gz DODNWNLFYPJXOJ-AWEZNQCLSA-N 1 1 359.386 2.118 20 5 FEBDMO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)nn1 ZINC000375173990 557987419 /nfs/dbraw/zinc/98/74/19/557987419.db2.gz DODNWNLFYPJXOJ-AWEZNQCLSA-N 1 1 359.386 2.118 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCc2c[nH+]c3n2CCCC3)cc([N+](=O)[O-])c1 ZINC000375386257 558018959 /nfs/dbraw/zinc/01/89/59/558018959.db2.gz GEVHDDZOKVFIFH-UHFFFAOYSA-N 1 1 372.381 2.234 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466932 558032277 /nfs/dbraw/zinc/03/22/77/558032277.db2.gz XGRBEJDNICYJNE-HIFRSBDPSA-N 1 1 374.397 2.084 20 5 FEBDMO CCC(=O)c1ccc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000375654477 558062974 /nfs/dbraw/zinc/06/29/74/558062974.db2.gz JDANQSZDLANOSG-MRXNPFEDSA-N 1 1 360.458 2.404 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000521620317 562180486 /nfs/dbraw/zinc/18/04/86/562180486.db2.gz FYMBKNGRZMCUTL-QGPMSJSTSA-N 1 1 350.415 2.226 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CC1 ZINC000376207707 558141067 /nfs/dbraw/zinc/14/10/67/558141067.db2.gz CHPUAPFHVAEDIM-UHFFFAOYSA-N 1 1 368.397 2.436 20 5 FEBDMO Cc1cccc(NC2CCN(C(=O)Nc3ccncc3[N+](=O)[O-])CC2)[nH+]1 ZINC000376263478 558149379 /nfs/dbraw/zinc/14/93/79/558149379.db2.gz CVCCMHWMYIKFNF-UHFFFAOYSA-N 1 1 356.386 2.224 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376296678 558154054 /nfs/dbraw/zinc/15/40/54/558154054.db2.gz RMIZBRYMEQTUOU-ZFWWWQNUSA-N 1 1 369.425 2.212 20 5 FEBDMO COC(=O)c1cc(C)nc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000376397109 558167990 /nfs/dbraw/zinc/16/79/90/558167990.db2.gz QTLVAHZJGIVGRV-ZDUSSCGKSA-N 1 1 373.413 2.277 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000376983041 558248017 /nfs/dbraw/zinc/24/80/17/558248017.db2.gz PSYKWQVOCRXDDK-IAGOWNOFSA-N 1 1 355.394 2.431 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000377216346 558290908 /nfs/dbraw/zinc/29/09/08/558290908.db2.gz TVPKZDVQNAFXPR-LSDHHAIUSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000377216346 558290909 /nfs/dbraw/zinc/29/09/09/558290909.db2.gz TVPKZDVQNAFXPR-LSDHHAIUSA-N 1 1 352.387 2.146 20 5 FEBDMO Cc1[nH+]c(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c2n1CCCC2 ZINC000378290444 558521178 /nfs/dbraw/zinc/52/11/78/558521178.db2.gz MTSRAGVLWZAJSC-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000524871858 562236458 /nfs/dbraw/zinc/23/64/58/562236458.db2.gz MQJKAPPVFMKFMI-OCCSQVGLSA-N 1 1 355.460 2.397 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000411046602 558835392 /nfs/dbraw/zinc/83/53/92/558835392.db2.gz BZXQKHJPHXHHBW-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000411046602 558835393 /nfs/dbraw/zinc/83/53/93/558835393.db2.gz BZXQKHJPHXHHBW-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000411218531 558854882 /nfs/dbraw/zinc/85/48/82/558854882.db2.gz YTGYCBCRHWJQHP-AWEZNQCLSA-N 1 1 374.441 2.283 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000525292204 562245339 /nfs/dbraw/zinc/24/53/39/562245339.db2.gz YXIAVUBSUJKOHP-GFCCVEGCSA-N 1 1 355.822 2.475 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC(C)(C)[C@H]1C ZINC000411341577 558880136 /nfs/dbraw/zinc/88/01/36/558880136.db2.gz CTSGMZMPQFYFAD-GFCCVEGCSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000411480924 558902403 /nfs/dbraw/zinc/90/24/03/558902403.db2.gz YUKHSEOMGSMJAR-MDASCCDHSA-N 1 1 373.453 2.410 20 5 FEBDMO O=C1[C@@H]([NH+]2CCC(c3ccncn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411830727 558971983 /nfs/dbraw/zinc/97/19/83/558971983.db2.gz ZMTHPGDGRIEUGL-SFHVURJKSA-N 1 1 367.409 2.370 20 5 FEBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411971538 558997827 /nfs/dbraw/zinc/99/78/27/558997827.db2.gz UAYVZUOEEDEXQC-IBGZPJMESA-N 1 1 355.394 2.103 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412100069 559013647 /nfs/dbraw/zinc/01/36/47/559013647.db2.gz XDSXHAUBJFCUMX-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1F ZINC000412155489 559017500 /nfs/dbraw/zinc/01/75/00/559017500.db2.gz YUVZSUQTTZGSST-YHWZYXNKSA-N 1 1 365.405 2.417 20 5 FEBDMO COC(=O)[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413491720 559111874 /nfs/dbraw/zinc/11/18/74/559111874.db2.gz BOVZZWOKGZOKPG-SNVBAGLBSA-N 1 1 361.320 2.155 20 5 FEBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000413961355 559143474 /nfs/dbraw/zinc/14/34/74/559143474.db2.gz WKCNGFULSBUSBP-OAHLLOKOSA-N 1 1 371.441 2.259 20 5 FEBDMO C[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000413961355 559143475 /nfs/dbraw/zinc/14/34/75/559143475.db2.gz WKCNGFULSBUSBP-OAHLLOKOSA-N 1 1 371.441 2.259 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000414470434 559166932 /nfs/dbraw/zinc/16/69/32/559166932.db2.gz OSPLWVQYDLLUFL-NSHDSACASA-N 1 1 366.443 2.331 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000416304442 559304589 /nfs/dbraw/zinc/30/45/89/559304589.db2.gz YZXLCEJARURWBO-ZIAGYGMSSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000416304442 559304590 /nfs/dbraw/zinc/30/45/90/559304590.db2.gz YZXLCEJARURWBO-ZIAGYGMSSA-N 1 1 363.458 2.419 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000416547626 559321079 /nfs/dbraw/zinc/32/10/79/559321079.db2.gz AAVHLXWRBMFFPE-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000418996206 559424898 /nfs/dbraw/zinc/42/48/98/559424898.db2.gz JTRMIUSIIOORTC-STQMWFEESA-N 1 1 360.414 2.043 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000419010159 559425309 /nfs/dbraw/zinc/42/53/09/559425309.db2.gz XJMKQQGOLSNKRG-WDEREUQCSA-N 1 1 358.236 2.249 20 5 FEBDMO C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C[N@H+]1CCO ZINC000419344642 559438704 /nfs/dbraw/zinc/43/87/04/559438704.db2.gz SGYKOKUZPWGMPD-KGLIPLIRSA-N 1 1 360.414 2.137 20 5 FEBDMO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420334006 559481408 /nfs/dbraw/zinc/48/14/08/559481408.db2.gz KTDFQAUQKZURHB-TXEJJXNPSA-N 1 1 352.822 2.118 20 5 FEBDMO COC(=O)c1cc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)c(C)c([N+](=O)[O-])c1 ZINC000421112526 559524623 /nfs/dbraw/zinc/52/46/23/559524623.db2.gz SZNKYNFKBJILQF-ZDUSSCGKSA-N 1 1 364.402 2.248 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000421189316 559530085 /nfs/dbraw/zinc/53/00/85/559530085.db2.gz ZBVMYMDWLGVANG-UHFFFAOYSA-N 1 1 369.377 2.383 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000422239113 559573027 /nfs/dbraw/zinc/57/30/27/559573027.db2.gz SLFFSXDXECOTCP-HNNXBMFYSA-N 1 1 363.462 2.441 20 5 FEBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000527304255 562284632 /nfs/dbraw/zinc/28/46/32/562284632.db2.gz LFMKITRLQSNOBM-LRFDDAOPSA-N 1 1 353.444 2.012 20 5 FEBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000527304255 562284633 /nfs/dbraw/zinc/28/46/33/562284633.db2.gz LFMKITRLQSNOBM-LRFDDAOPSA-N 1 1 353.444 2.012 20 5 FEBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425013507 559683670 /nfs/dbraw/zinc/68/36/70/559683670.db2.gz QWFHIIRIUHJZKO-WMLDXEAASA-N 1 1 368.393 2.042 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425430183 559702051 /nfs/dbraw/zinc/70/20/51/559702051.db2.gz DMXMRRJYNUZCKL-NWDGAFQWSA-N 1 1 372.263 2.244 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000427378081 559754490 /nfs/dbraw/zinc/75/44/90/559754490.db2.gz ADKHZMQCXYWLFK-GOEBONIOSA-N 1 1 371.441 2.452 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429769262 559805168 /nfs/dbraw/zinc/80/51/68/559805168.db2.gz CAEQJJGJCGLZQZ-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1NCCCCN1CC[NH+](CCO)CC1 ZINC000432320064 559856303 /nfs/dbraw/zinc/85/63/03/559856303.db2.gz LPALHTAQGZAMTM-UHFFFAOYSA-N 1 1 356.854 2.050 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000432462391 559859315 /nfs/dbraw/zinc/85/93/15/559859315.db2.gz SKDPPKOHBKUPRN-GDBMZVCRSA-N 1 1 370.409 2.265 20 5 FEBDMO O=C(COc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000433643529 559885492 /nfs/dbraw/zinc/88/54/92/559885492.db2.gz FFJBWQBCNRUGQO-UHFFFAOYSA-N 1 1 373.384 2.457 20 5 FEBDMO Cc1c(NC(=O)N2CC[NH+](C)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000435324310 559920355 /nfs/dbraw/zinc/92/03/55/559920355.db2.gz VKLXKUKBAMBFFM-UHFFFAOYSA-N 1 1 357.208 2.445 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[N@H+](C)CCN(C)C ZINC000436512887 559943934 /nfs/dbraw/zinc/94/39/34/559943934.db2.gz STFYHUSUVOVIAW-UHFFFAOYSA-N 1 1 351.451 2.217 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCCN(C)CC[NH+](C)C ZINC000436512887 559943935 /nfs/dbraw/zinc/94/39/35/559943935.db2.gz STFYHUSUVOVIAW-UHFFFAOYSA-N 1 1 351.451 2.217 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000439910499 560001734 /nfs/dbraw/zinc/00/17/34/560001734.db2.gz HMJIFRVRRXVXCX-AWEZNQCLSA-N 1 1 366.418 2.226 20 5 FEBDMO Cc1cccc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000440507672 560012820 /nfs/dbraw/zinc/01/28/20/560012820.db2.gz UHRRULFTUDPOHS-FQEVSTJZSA-N 1 1 369.421 2.270 20 5 FEBDMO Cc1c(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000440508776 560012931 /nfs/dbraw/zinc/01/29/31/560012931.db2.gz FENZCNFUJANOSM-HXUWFJFHSA-N 1 1 369.421 2.270 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441204897 560026260 /nfs/dbraw/zinc/02/62/60/560026260.db2.gz UMVXPCMTPPGLKV-HOTGVXAUSA-N 1 1 359.426 2.232 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000442554306 560052805 /nfs/dbraw/zinc/05/28/05/560052805.db2.gz UMVKJMNMBSSMKZ-JKIFEVAISA-N 1 1 374.441 2.397 20 5 FEBDMO Cc1c(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000447427680 560162163 /nfs/dbraw/zinc/16/21/63/560162163.db2.gz KPEZZVBVRDBQQX-UHFFFAOYSA-N 1 1 362.430 2.080 20 5 FEBDMO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000448962756 560209048 /nfs/dbraw/zinc/20/90/48/560209048.db2.gz QRQXMBXRYVMPRH-HNNXBMFYSA-N 1 1 355.398 2.294 20 5 FEBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492286 560232001 /nfs/dbraw/zinc/23/20/01/560232001.db2.gz BRCFATAJAAWSPI-BBRMVZONSA-N 1 1 366.414 2.394 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449773183 560239836 /nfs/dbraw/zinc/23/98/36/560239836.db2.gz JOBVYHVMUQABNZ-ZYHUDNBSSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449773183 560239837 /nfs/dbraw/zinc/23/98/37/560239837.db2.gz JOBVYHVMUQABNZ-ZYHUDNBSSA-N 1 1 360.357 2.450 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449903688 560244890 /nfs/dbraw/zinc/24/48/90/560244890.db2.gz OHVWEPIEGCMPRQ-CYBMUJFWSA-N 1 1 357.414 2.399 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449903688 560244892 /nfs/dbraw/zinc/24/48/92/560244892.db2.gz OHVWEPIEGCMPRQ-CYBMUJFWSA-N 1 1 357.414 2.399 20 5 FEBDMO COC(=O)Cc1ccc(NC[C@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000450246939 560255675 /nfs/dbraw/zinc/25/56/75/560255675.db2.gz WNEGTFDNTCATIV-QGZVFWFLSA-N 1 1 365.430 2.079 20 5 FEBDMO C[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000450547766 560265720 /nfs/dbraw/zinc/26/57/20/560265720.db2.gz PCIXQFSVWBHKIB-MRXNPFEDSA-N 1 1 374.485 2.348 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000451250692 560295835 /nfs/dbraw/zinc/29/58/35/560295835.db2.gz DSJFBULNAIUBRE-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000451250692 560295836 /nfs/dbraw/zinc/29/58/36/560295836.db2.gz DSJFBULNAIUBRE-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)n2)c1 ZINC000451305780 560299252 /nfs/dbraw/zinc/29/92/52/560299252.db2.gz WPKGEFUHCVOIJP-FVQBIDKESA-N 1 1 374.397 2.007 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451357817 560302391 /nfs/dbraw/zinc/30/23/91/560302391.db2.gz ZAINKDGLENSPAD-HPFXQQBRSA-N 1 1 364.442 2.350 20 5 FEBDMO CCN1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548014 560313906 /nfs/dbraw/zinc/31/39/06/560313906.db2.gz LYOSBYOHTZSULR-AEFFLSMTSA-N 1 1 374.485 2.327 20 5 FEBDMO COc1ccc2c(c1)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCO2 ZINC000451639455 560318699 /nfs/dbraw/zinc/31/86/99/560318699.db2.gz IBUIRFFHLJZBEM-INIZCTEOSA-N 1 1 374.393 2.238 20 5 FEBDMO COc1ccc2c(c1)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCO2 ZINC000451639455 560318700 /nfs/dbraw/zinc/31/87/00/560318700.db2.gz IBUIRFFHLJZBEM-INIZCTEOSA-N 1 1 374.393 2.238 20 5 FEBDMO CO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451826203 560331049 /nfs/dbraw/zinc/33/10/49/560331049.db2.gz FENYPTNHAAPOGG-HYVNUMGLSA-N 1 1 350.415 2.224 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452369904 560360671 /nfs/dbraw/zinc/36/06/71/560360671.db2.gz FFBXEZAODAWLEF-FUHWJXTLSA-N 1 1 363.458 2.127 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452389493 560362866 /nfs/dbraw/zinc/36/28/66/560362866.db2.gz MAOLWHJVCIQDEX-UKRRQHHQSA-N 1 1 367.471 2.038 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000454071371 560426694 /nfs/dbraw/zinc/42/66/94/560426694.db2.gz QZCMWMMZMBEQIK-UHFFFAOYSA-N 1 1 362.430 2.141 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000455150813 560471837 /nfs/dbraw/zinc/47/18/37/560471837.db2.gz YFRZQMMRLPMKRC-OKILXGFUSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000455150813 560471838 /nfs/dbraw/zinc/47/18/38/560471838.db2.gz YFRZQMMRLPMKRC-OKILXGFUSA-N 1 1 350.419 2.130 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000455465314 560483400 /nfs/dbraw/zinc/48/34/00/560483400.db2.gz OTDVMDJUMJENLP-OAHLLOKOSA-N 1 1 350.419 2.126 20 5 FEBDMO CNc1nc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455603019 560488823 /nfs/dbraw/zinc/48/88/23/560488823.db2.gz OBYPCSSMDXJJTC-CYBMUJFWSA-N 1 1 357.414 2.282 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000456360502 560517212 /nfs/dbraw/zinc/51/72/12/560517212.db2.gz VJGDWZUURKNLAG-OAHLLOKOSA-N 1 1 357.414 2.337 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459797650 560709000 /nfs/dbraw/zinc/70/90/00/560709000.db2.gz SGFYOZHJIMVHDD-SOLBZPMBSA-N 1 1 364.442 2.208 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000459806516 560709642 /nfs/dbraw/zinc/70/96/42/560709642.db2.gz QPUCCPQYIUUMLK-PKOBYXMFSA-N 1 1 373.453 2.357 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000461613410 560776775 /nfs/dbraw/zinc/77/67/75/560776775.db2.gz LXECYLCOFZVLPI-CYBMUJFWSA-N 1 1 374.445 2.334 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000462325870 560805874 /nfs/dbraw/zinc/80/58/74/560805874.db2.gz PTNGCKVIRWUQML-UHFFFAOYSA-N 1 1 352.416 2.167 20 5 FEBDMO COc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000465357257 560863976 /nfs/dbraw/zinc/86/39/76/560863976.db2.gz REXBAMIOHSJXKW-UHFFFAOYSA-N 1 1 372.381 2.356 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH+]1 ZINC000470770095 560989424 /nfs/dbraw/zinc/98/94/24/560989424.db2.gz XMOCLBADMGOPJB-UHFFFAOYSA-N 1 1 370.818 2.342 20 5 FEBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470823001 560990959 /nfs/dbraw/zinc/99/09/59/560990959.db2.gz WEMABKJWKNEJEU-RDJZCZTQSA-N 1 1 359.405 2.429 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+]CCN2CCCCCC2)cc1[N+](=O)[O-] ZINC000474360083 561072157 /nfs/dbraw/zinc/07/21/57/561072157.db2.gz YWVCOBCLQXXBRD-UHFFFAOYSA-N 1 1 365.430 2.112 20 5 FEBDMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000475747271 561104374 /nfs/dbraw/zinc/10/43/74/561104374.db2.gz KGCUMUYMKKANNK-UHFFFAOYSA-N 1 1 371.441 2.165 20 5 FEBDMO COc1c(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000476412441 561118768 /nfs/dbraw/zinc/11/87/68/561118768.db2.gz IMYLTAJMWPALTQ-UHFFFAOYSA-N 1 1 365.430 2.034 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[N@@H+]1CCOC ZINC000476507525 561121091 /nfs/dbraw/zinc/12/10/91/561121091.db2.gz JYCJADTWFQIFHS-AWEZNQCLSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[N@H+]1CCOC ZINC000476507525 561121092 /nfs/dbraw/zinc/12/10/92/561121092.db2.gz JYCJADTWFQIFHS-AWEZNQCLSA-N 1 1 365.430 2.176 20 5 FEBDMO CN(C)c1[nH+]cnc2c1cc(C(=O)N1CCc3ccc([N+](=O)[O-])cc31)n2C ZINC000476650886 561125330 /nfs/dbraw/zinc/12/53/30/561125330.db2.gz CTHYSRQZFGVHPT-UHFFFAOYSA-N 1 1 366.381 2.145 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000533865471 562520090 /nfs/dbraw/zinc/52/00/90/562520090.db2.gz OBLQZOKKWOLNNM-CQSZACIVSA-N 1 1 357.414 2.455 20 5 FEBDMO CN(CC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000535278391 562554919 /nfs/dbraw/zinc/55/49/19/562554919.db2.gz WNTSJLHBAXAGPJ-INIZCTEOSA-N 1 1 354.410 2.334 20 5 FEBDMO CN(CC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000535278391 562554920 /nfs/dbraw/zinc/55/49/20/562554920.db2.gz WNTSJLHBAXAGPJ-INIZCTEOSA-N 1 1 354.410 2.334 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000535316514 562555721 /nfs/dbraw/zinc/55/57/21/562555721.db2.gz IUQYGSDRDLSLLO-LLVKDONJSA-N 1 1 363.805 2.410 20 5 FEBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535315582 562555790 /nfs/dbraw/zinc/55/57/90/562555790.db2.gz YGVUHRHGQJVTEY-ZDUSSCGKSA-N 1 1 354.370 2.368 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000536509284 562577298 /nfs/dbraw/zinc/57/72/98/562577298.db2.gz PPSTUXYJFJDVLG-BETUJISGSA-N 1 1 360.414 2.305 20 5 FEBDMO C[N@@H+](CCCn1ccnc1)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000537043002 562584583 /nfs/dbraw/zinc/58/45/83/562584583.db2.gz PCJVHNWCWFKOPL-UHFFFAOYSA-N 1 1 359.386 2.111 20 5 FEBDMO CN1CC[NH+](Cc2ccc(NC(=O)c3c(N)cccc3[N+](=O)[O-])cc2)CC1 ZINC000540928410 562597290 /nfs/dbraw/zinc/59/72/90/562597290.db2.gz HRUQOVDWJVEWQG-UHFFFAOYSA-N 1 1 369.425 2.177 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000570553880 568486664 /nfs/dbraw/zinc/48/66/64/568486664.db2.gz RZDMMEBMYFELNX-CYBMUJFWSA-N 1 1 374.397 2.399 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000570923902 568689626 /nfs/dbraw/zinc/68/96/26/568689626.db2.gz XYJPRBFNGMIRNS-GDBMZVCRSA-N 1 1 367.471 2.262 20 5 FEBDMO C[NH+](C)C1(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000556622063 674409139 /nfs/dbraw/zinc/40/91/39/674409139.db2.gz OAHYTEROWYIRQN-INIZCTEOSA-N 1 1 351.447 2.189 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000557561996 674454135 /nfs/dbraw/zinc/45/41/35/674454135.db2.gz BJJWTEWJUDZHRG-ZDUSSCGKSA-N 1 1 351.403 2.213 20 5 FEBDMO CC(C)S(=O)(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000809789981 674510203 /nfs/dbraw/zinc/51/02/03/674510203.db2.gz QSJYKJXNEQSKQE-UHFFFAOYSA-N 1 1 352.359 2.109 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000558739332 674514013 /nfs/dbraw/zinc/51/40/13/674514013.db2.gz IAWWPZWVWRAMEZ-UHFFFAOYSA-N 1 1 363.439 2.048 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000558739332 674514014 /nfs/dbraw/zinc/51/40/14/674514014.db2.gz IAWWPZWVWRAMEZ-UHFFFAOYSA-N 1 1 363.439 2.048 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000809814391 674511697 /nfs/dbraw/zinc/51/16/97/674511697.db2.gz KADQMELTTJNLFZ-QMMMGPOBSA-N 1 1 365.814 2.148 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809861309 674517931 /nfs/dbraw/zinc/51/79/31/674517931.db2.gz YWICKBNYMHNGBX-VIFPVBQESA-N 1 1 367.830 2.394 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000810119913 674533550 /nfs/dbraw/zinc/53/35/50/674533550.db2.gz GJXMNWBPOMEFHK-LBPRGKRZSA-N 1 1 361.439 2.441 20 5 FEBDMO COc1cc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810851661 674565191 /nfs/dbraw/zinc/56/51/91/674565191.db2.gz MWCZTECTYFJOFJ-VXGBXAGGSA-N 1 1 350.371 2.396 20 5 FEBDMO CC(C)(C)[NH+]1CCC(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000562986891 674831314 /nfs/dbraw/zinc/83/13/14/674831314.db2.gz CQWSNQRIJDFDSQ-OAHLLOKOSA-N 1 1 351.447 2.187 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000817151528 675106198 /nfs/dbraw/zinc/10/61/98/675106198.db2.gz SUXNJAGXCMDVFA-SECBINFHSA-N 1 1 365.814 2.102 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000113198630 670881404 /nfs/dbraw/zinc/88/14/04/670881404.db2.gz LATLECNAOVBVBR-CYBMUJFWSA-N 1 1 350.375 2.497 20 5 FEBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[N@H+]1C ZINC000572014622 670951699 /nfs/dbraw/zinc/95/16/99/670951699.db2.gz CVXYXIRIYZXYJY-OLZOCXBDSA-N 1 1 352.410 2.465 20 5 FEBDMO C[N@@H+](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCSC1 ZINC000578288780 671654134 /nfs/dbraw/zinc/65/41/34/671654134.db2.gz OJQDHWCLUSUIIL-CQSZACIVSA-N 1 1 362.455 2.172 20 5 FEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000610133823 675955860 /nfs/dbraw/zinc/95/58/60/675955860.db2.gz IJFRZMMUTRRQSZ-USXIJHARSA-N 1 1 352.431 2.470 20 5 FEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000583079396 672061503 /nfs/dbraw/zinc/06/15/03/672061503.db2.gz ZHGVSWJBEMAHOF-SNVBAGLBSA-N 1 1 365.789 2.406 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000132369569 672097277 /nfs/dbraw/zinc/09/72/77/672097277.db2.gz ZFKFEPSOLITMRV-GFCCVEGCSA-N 1 1 350.375 2.334 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000134653413 672125536 /nfs/dbraw/zinc/12/55/36/672125536.db2.gz LIXZVSXMCVDYTL-QWHCGFSZSA-N 1 1 353.423 2.169 20 5 FEBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3c[nH]nc3[N+](=O)[O-])C2)s1 ZINC000584355577 672180048 /nfs/dbraw/zinc/18/00/48/672180048.db2.gz CBODTCBOCSDTNV-LBPRGKRZSA-N 1 1 363.443 2.282 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171933480 672337541 /nfs/dbraw/zinc/33/75/41/672337541.db2.gz LBEQNYWXHRSVOX-KRWDZBQOSA-N 1 1 350.438 2.336 20 5 FEBDMO CC[N@@H+](CCNc1cc(N)c([N+](=O)[O-])c(CO)c1)CCC(F)(F)F ZINC000588032624 672446087 /nfs/dbraw/zinc/44/60/87/672446087.db2.gz ATPGWHSDPRGXFN-UHFFFAOYSA-N 1 1 350.341 2.356 20 5 FEBDMO CC(C)c1ccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)cc1[N+](=O)[O-] ZINC000611253604 676028363 /nfs/dbraw/zinc/02/83/63/676028363.db2.gz XHDJYDAKONVMAX-UHFFFAOYSA-N 1 1 355.460 2.232 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000590047169 672556640 /nfs/dbraw/zinc/55/66/40/672556640.db2.gz WMXXTIWTSWJSFI-WFASDCNBSA-N 1 1 358.423 2.494 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590047167 672556650 /nfs/dbraw/zinc/55/66/50/672556650.db2.gz WMXXTIWTSWJSFI-IUODEOHRSA-N 1 1 358.423 2.494 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000590165338 672562893 /nfs/dbraw/zinc/56/28/93/672562893.db2.gz GPBRCHMGSRXMIG-HNNXBMFYSA-N 1 1 373.862 2.355 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1SC ZINC000590445414 672583287 /nfs/dbraw/zinc/58/32/87/672583287.db2.gz LWHLAYJGNFOGCJ-GWCFXTLKSA-N 1 1 351.428 2.101 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000590562501 672589855 /nfs/dbraw/zinc/58/98/55/672589855.db2.gz LYRXXSPLDLMLFG-LSDHHAIUSA-N 1 1 353.806 2.183 20 5 FEBDMO CSC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132246 672762349 /nfs/dbraw/zinc/76/23/49/672762349.db2.gz DRYOJWLNKDHDMA-BZUAXINKSA-N 1 1 354.472 2.424 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594483701 673087595 /nfs/dbraw/zinc/08/75/95/673087595.db2.gz NZTDJNVTORWAFA-GOEBONIOSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594485071 673089351 /nfs/dbraw/zinc/08/93/51/673089351.db2.gz VQNQBPULZLHRPK-WBVHZDCISA-N 1 1 367.471 2.074 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(C)cc1[N+](=O)[O-] ZINC000594788433 673142475 /nfs/dbraw/zinc/14/24/75/673142475.db2.gz CENANANZDXPCCJ-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c(C)cc1[N+](=O)[O-] ZINC000594788433 673142478 /nfs/dbraw/zinc/14/24/78/673142478.db2.gz CENANANZDXPCCJ-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000594793917 673145220 /nfs/dbraw/zinc/14/52/20/673145220.db2.gz WKUOSIPLJZBBEC-CYBMUJFWSA-N 1 1 355.460 2.135 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1C ZINC000594800032 673146971 /nfs/dbraw/zinc/14/69/71/673146971.db2.gz BBKNYBOBRBDYIJ-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594854580 673165423 /nfs/dbraw/zinc/16/54/23/673165423.db2.gz RJPBNODOUNXTQJ-OAHLLOKOSA-N 1 1 367.471 2.421 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000595009498 673186007 /nfs/dbraw/zinc/18/60/07/673186007.db2.gz ZUJSRAPGFCKWDM-AWEZNQCLSA-N 1 1 350.463 2.280 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000595039189 673188463 /nfs/dbraw/zinc/18/84/63/673188463.db2.gz OAVXPVQDYNPRGF-CQSZACIVSA-N 1 1 350.463 2.280 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000595039189 673188464 /nfs/dbraw/zinc/18/84/64/673188464.db2.gz OAVXPVQDYNPRGF-CQSZACIVSA-N 1 1 350.463 2.280 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000595411497 673246074 /nfs/dbraw/zinc/24/60/74/673246074.db2.gz RJQPNTKTTZMHKI-INIZCTEOSA-N 1 1 367.471 2.136 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695924 673283587 /nfs/dbraw/zinc/28/35/87/673283587.db2.gz JGGQKRFLLPEWOI-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695924 673283591 /nfs/dbraw/zinc/28/35/91/673283591.db2.gz JGGQKRFLLPEWOI-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596112148 673359877 /nfs/dbraw/zinc/35/98/77/673359877.db2.gz HXJTWGKNMKIEOO-WFASDCNBSA-N 1 1 355.822 2.292 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCOCC3)C2)cc1OC(F)F ZINC000596248564 673371567 /nfs/dbraw/zinc/37/15/67/673371567.db2.gz YWMZTIVCNGFZPG-ZDUSSCGKSA-N 1 1 357.357 2.497 20 5 FEBDMO COC(=O)c1c(Cl)c(NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000596259338 673372381 /nfs/dbraw/zinc/37/23/81/673372381.db2.gz QVGKGNZIBOVYTH-LLVKDONJSA-N 1 1 371.821 2.294 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]2N1 ZINC000597204372 673456530 /nfs/dbraw/zinc/45/65/30/673456530.db2.gz ASVCQRGVODJTGU-ZWNOBZJWSA-N 1 1 355.341 2.297 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]2N1 ZINC000597204372 673456533 /nfs/dbraw/zinc/45/65/33/673456533.db2.gz ASVCQRGVODJTGU-ZWNOBZJWSA-N 1 1 355.341 2.297 20 5 FEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000540021653 673519878 /nfs/dbraw/zinc/51/98/78/673519878.db2.gz VGPOVCREMNAHTG-QWRGUYRKSA-N 1 1 370.247 2.451 20 5 FEBDMO COc1cc([C@@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc(OC)c1OC ZINC000540324802 673533772 /nfs/dbraw/zinc/53/37/72/673533772.db2.gz SHMILIIUIDCOHA-SNVBAGLBSA-N 1 1 350.375 2.205 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598613932 673590611 /nfs/dbraw/zinc/59/06/11/673590611.db2.gz ZVTCWBCAYFIKEG-TZMCWYRMSA-N 1 1 355.460 2.315 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(F)c2F)cc1 ZINC000542690558 673597577 /nfs/dbraw/zinc/59/75/77/673597577.db2.gz FHCMJWSXMAWOGU-UHFFFAOYSA-N 1 1 356.350 2.437 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000740840723 673656753 /nfs/dbraw/zinc/65/67/53/673656753.db2.gz CTLYEWVKKAJVNG-QWHCGFSZSA-N 1 1 353.394 2.444 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600007476 673733746 /nfs/dbraw/zinc/73/37/46/673733746.db2.gz UGFYJOWIKHDKEO-UHFFFAOYSA-N 1 1 351.378 2.061 20 5 FEBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000600691424 673792266 /nfs/dbraw/zinc/79/22/66/673792266.db2.gz QDYPXWGBUGENLT-JTQLQIEISA-N 1 1 361.320 2.360 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000745374912 673834598 /nfs/dbraw/zinc/83/45/98/673834598.db2.gz FPZOHUQBPVOQOQ-RYUDHWBXSA-N 1 1 353.394 2.352 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000601357003 673847525 /nfs/dbraw/zinc/84/75/25/673847525.db2.gz YDGBTXWOPKGLJI-JSGCOSHPSA-N 1 1 373.450 2.393 20 5 FEBDMO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)c(F)c1N1CCOCC1 ZINC000566749344 675239691 /nfs/dbraw/zinc/23/96/91/675239691.db2.gz YLUUCPPUICBOIU-UHFFFAOYSA-N 1 1 370.450 2.031 20 5 FEBDMO CCOC(=O)c1sc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)nc1C ZINC000819138211 675263716 /nfs/dbraw/zinc/26/37/16/675263716.db2.gz IJEDAHBNEHNGOY-ZDUSSCGKSA-N 1 1 365.411 2.360 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000819635225 675306416 /nfs/dbraw/zinc/30/64/16/675306416.db2.gz DIWDOAHKPJBTHC-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000819912918 675323541 /nfs/dbraw/zinc/32/35/41/675323541.db2.gz YNUSGQQFGDSHKG-SMDDNHRTSA-N 1 1 373.862 2.271 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3SC)[C@H]2C1 ZINC000820592932 675372722 /nfs/dbraw/zinc/37/27/22/675372722.db2.gz ZTJRUZGXIVSNRE-LSDHHAIUSA-N 1 1 365.455 2.252 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000823201046 675536076 /nfs/dbraw/zinc/53/60/76/675536076.db2.gz YDUFVTGJZGUUSS-LLVKDONJSA-N 1 1 368.821 2.278 20 5 FEBDMO CCOC(=O)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC12COC2 ZINC000824490142 675606067 /nfs/dbraw/zinc/60/60/67/675606067.db2.gz XLHNXELTKCWNBU-CYBMUJFWSA-N 1 1 354.790 2.260 20 5 FEBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC12COC2 ZINC000824490142 675606068 /nfs/dbraw/zinc/60/60/68/675606068.db2.gz XLHNXELTKCWNBU-CYBMUJFWSA-N 1 1 354.790 2.260 20 5 FEBDMO C[NH+]1CCN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)CC1 ZINC000827435369 675755549 /nfs/dbraw/zinc/75/55/49/675755549.db2.gz GMZZQMLUPNPECX-UHFFFAOYSA-N 1 1 366.849 2.100 20 5 FEBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000604199230 675803999 /nfs/dbraw/zinc/80/39/99/675803999.db2.gz OUJXJXXLNDJUQB-SNVBAGLBSA-N 1 1 361.320 2.360 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839471610 680754607 /nfs/dbraw/zinc/75/46/07/680754607.db2.gz WPHCTLFVHJVCSU-LLVKDONJSA-N 1 1 368.821 2.033 20 5 FEBDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000839567116 680762281 /nfs/dbraw/zinc/76/22/81/680762281.db2.gz GOKORNQDHOHBMW-LLVKDONJSA-N 1 1 368.821 2.129 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000839634604 680768123 /nfs/dbraw/zinc/76/81/23/680768123.db2.gz BTLBLPAFQJECTR-LLVKDONJSA-N 1 1 356.220 2.267 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000839634604 680768125 /nfs/dbraw/zinc/76/81/25/680768125.db2.gz BTLBLPAFQJECTR-LLVKDONJSA-N 1 1 356.220 2.267 20 5 FEBDMO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000839670986 680770589 /nfs/dbraw/zinc/77/05/89/680770589.db2.gz XQJFGSIGVJYBKU-LBPRGKRZSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000839670986 680770590 /nfs/dbraw/zinc/77/05/90/680770590.db2.gz XQJFGSIGVJYBKU-LBPRGKRZSA-N 1 1 368.821 2.176 20 5 FEBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839682548 680771851 /nfs/dbraw/zinc/77/18/51/680771851.db2.gz FRRGEJXUELVWFP-BFHYXJOUSA-N 1 1 357.332 2.061 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839682548 680771853 /nfs/dbraw/zinc/77/18/53/680771853.db2.gz FRRGEJXUELVWFP-BFHYXJOUSA-N 1 1 357.332 2.061 20 5 FEBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839682548 680771854 /nfs/dbraw/zinc/77/18/54/680771854.db2.gz FRRGEJXUELVWFP-BFHYXJOUSA-N 1 1 357.332 2.061 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000840754599 680840910 /nfs/dbraw/zinc/84/09/10/680840910.db2.gz JHOGOTUQNDNICT-LSDHHAIUSA-N 1 1 350.444 2.087 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1CCOC ZINC000831508525 679995284 /nfs/dbraw/zinc/99/52/84/679995284.db2.gz PJIOOYCXYJYSRV-CQSZACIVSA-N 1 1 353.394 2.307 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1CCOC ZINC000831508525 679995292 /nfs/dbraw/zinc/99/52/92/679995292.db2.gz PJIOOYCXYJYSRV-CQSZACIVSA-N 1 1 353.394 2.307 20 5 FEBDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000752072661 680221831 /nfs/dbraw/zinc/22/18/31/680221831.db2.gz JFXTXDIMCIEULZ-QWHCGFSZSA-N 1 1 353.423 2.026 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000752234496 680231123 /nfs/dbraw/zinc/23/11/23/680231123.db2.gz IJLISLBOKIKLHE-CHWSQXEVSA-N 1 1 373.862 2.462 20 5 FEBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)cc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983650975 680317845 /nfs/dbraw/zinc/31/78/45/680317845.db2.gz ZGTORHFPWPZQPF-QGMIFYJMSA-N 1 1 355.797 2.129 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000996428818 680332259 /nfs/dbraw/zinc/33/22/59/680332259.db2.gz IFRZQHOKBREPTA-UKRRQHHQSA-N 1 1 355.797 2.225 20 5 FEBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644020 680436664 /nfs/dbraw/zinc/43/66/64/680436664.db2.gz YCYPPNKHLVJETA-DSZLRUIBSA-N 1 1 353.369 2.147 20 5 FEBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836368193 680458942 /nfs/dbraw/zinc/45/89/42/680458942.db2.gz LXAFVMDGGNRFOI-GFCCVEGCSA-N 1 1 356.810 2.217 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000836948441 680533332 /nfs/dbraw/zinc/53/33/32/680533332.db2.gz AHKRFNGLSUNOQV-SNVBAGLBSA-N 1 1 371.235 2.309 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000836948441 680533338 /nfs/dbraw/zinc/53/33/38/680533338.db2.gz AHKRFNGLSUNOQV-SNVBAGLBSA-N 1 1 371.235 2.309 20 5 FEBDMO O=[N+]([O-])c1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000757955188 680545462 /nfs/dbraw/zinc/54/54/62/680545462.db2.gz CXBMWTZVCHJVFK-UHFFFAOYSA-N 1 1 371.396 2.128 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000837191353 680565774 /nfs/dbraw/zinc/56/57/74/680565774.db2.gz NGLYFPYLWDKCTQ-LBPRGKRZSA-N 1 1 352.410 2.355 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000759774233 680666811 /nfs/dbraw/zinc/66/68/11/680666811.db2.gz KTJNMWUPQMFYKF-DGCLKSJQSA-N 1 1 373.450 2.441 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000841596708 680902790 /nfs/dbraw/zinc/90/27/90/680902790.db2.gz UVFWZSVJPHSHQA-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000841596708 680902791 /nfs/dbraw/zinc/90/27/91/680902791.db2.gz UVFWZSVJPHSHQA-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841892484 680916884 /nfs/dbraw/zinc/91/68/84/680916884.db2.gz ZPFRPHRSJPDWOO-VXGBXAGGSA-N 1 1 372.263 2.244 20 5 FEBDMO C[N@@H+]1CCO[C@H](CSCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842652709 680957224 /nfs/dbraw/zinc/95/72/24/680957224.db2.gz XBOSWLSKBBXZDT-NSHDSACASA-N 1 1 359.835 2.251 20 5 FEBDMO C[N@H+]1CCO[C@H](CSCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842652709 680957226 /nfs/dbraw/zinc/95/72/26/680957226.db2.gz XBOSWLSKBBXZDT-NSHDSACASA-N 1 1 359.835 2.251 20 5 FEBDMO Cc1nn(C[N@@H+]2CCSC3(CCOCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000769777431 680994660 /nfs/dbraw/zinc/99/46/60/680994660.db2.gz JXGPXCMRIGGJIA-UHFFFAOYSA-N 1 1 363.443 2.203 20 5 FEBDMO Cc1nn(C[N@H+]2CCSC3(CCOCC3)C2)c2ncc([N+](=O)[O-])cc12 ZINC000769777431 680994662 /nfs/dbraw/zinc/99/46/62/680994662.db2.gz JXGPXCMRIGGJIA-UHFFFAOYSA-N 1 1 363.443 2.203 20 5 FEBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@@H]1CC[N@@H+](C)C1 ZINC000843987912 681029472 /nfs/dbraw/zinc/02/94/72/681029472.db2.gz GUIAUONLCJRYQV-GFCCVEGCSA-N 1 1 352.410 2.356 20 5 FEBDMO COCC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C1 ZINC000844431754 681058369 /nfs/dbraw/zinc/05/83/69/681058369.db2.gz NQPNIWLITHXIHK-UHFFFAOYSA-N 1 1 352.391 2.046 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000771555074 681059517 /nfs/dbraw/zinc/05/95/17/681059517.db2.gz CVBSVUHBXVUPDZ-LBPRGKRZSA-N 1 1 359.423 2.193 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC000844952987 681094791 /nfs/dbraw/zinc/09/47/91/681094791.db2.gz LWZJDOJYPZEHCI-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C(C)(C)C1 ZINC000844952987 681094792 /nfs/dbraw/zinc/09/47/92/681094792.db2.gz LWZJDOJYPZEHCI-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000775206088 681285325 /nfs/dbraw/zinc/28/53/25/681285325.db2.gz UMPJLTZIKNDZGI-ZIAGYGMSSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000775206088 681285329 /nfs/dbraw/zinc/28/53/29/681285329.db2.gz UMPJLTZIKNDZGI-ZIAGYGMSSA-N 1 1 358.822 2.094 20 5 FEBDMO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000775618695 681319334 /nfs/dbraw/zinc/31/93/34/681319334.db2.gz WBQRWHYGVJGLSE-JTQLQIEISA-N 1 1 353.375 2.232 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777800348 681531687 /nfs/dbraw/zinc/53/16/87/681531687.db2.gz PCBYMXDNZZFWPR-MNOVXSKESA-N 1 1 363.443 2.450 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000848591898 681585601 /nfs/dbraw/zinc/58/56/01/681585601.db2.gz ZQIBCARRFUNKHH-OAHLLOKOSA-N 1 1 355.341 2.121 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)c1 ZINC000934636848 681603578 /nfs/dbraw/zinc/60/35/78/681603578.db2.gz DXZRWWPOLVDCIS-ZWKOTPCHSA-N 1 1 350.415 2.146 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@@H]2CC2CCOCC2)c1 ZINC000934636848 681603581 /nfs/dbraw/zinc/60/35/81/681603581.db2.gz DXZRWWPOLVDCIS-ZWKOTPCHSA-N 1 1 350.415 2.146 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000849411280 681719282 /nfs/dbraw/zinc/71/92/82/681719282.db2.gz DAVODPZTYOEXJW-GFCCVEGCSA-N 1 1 373.450 2.441 20 5 FEBDMO CSc1cccc(C(=O)N2CC[NH+](CCCCCO)CC2)c1[N+](=O)[O-] ZINC000913693177 685482478 /nfs/dbraw/zinc/48/24/78/685482478.db2.gz PNIWHZRPSMTKRJ-UHFFFAOYSA-N 1 1 367.471 2.237 20 5 FEBDMO C[C@@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1CC(C)(C)O ZINC000780658583 681857752 /nfs/dbraw/zinc/85/77/52/681857752.db2.gz QUEMEWPNVHPGHQ-LLVKDONJSA-N 1 1 350.444 2.486 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850508018 681909671 /nfs/dbraw/zinc/90/96/71/681909671.db2.gz QSIRSGGXZDTHMM-LLVKDONJSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)[N@@H+](C)CCCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781594167 681951234 /nfs/dbraw/zinc/95/12/34/681951234.db2.gz AOIAMUFXRGQGHL-UHFFFAOYSA-N 1 1 352.391 2.282 20 5 FEBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000852104348 682219981 /nfs/dbraw/zinc/21/99/81/682219981.db2.gz HWJVIFCGGNXBBN-CYBMUJFWSA-N 1 1 357.382 2.051 20 5 FEBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000852104348 682219984 /nfs/dbraw/zinc/21/99/84/682219984.db2.gz HWJVIFCGGNXBBN-CYBMUJFWSA-N 1 1 357.382 2.051 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000918194038 685537848 /nfs/dbraw/zinc/53/78/48/685537848.db2.gz QJUFPXYBGNCKRG-VXGBXAGGSA-N 1 1 359.423 2.275 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000785815312 682327184 /nfs/dbraw/zinc/32/71/84/682327184.db2.gz GOXYEZHVLYGMCE-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855167177 682634922 /nfs/dbraw/zinc/63/49/22/682634922.db2.gz XEHHRPJCGXCSCV-LLVKDONJSA-N 1 1 350.375 2.414 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790636178 682690016 /nfs/dbraw/zinc/69/00/16/682690016.db2.gz VPOSXLLMTFCDLP-LBPRGKRZSA-N 1 1 373.812 2.157 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)[nH+]1 ZINC000856734526 682800866 /nfs/dbraw/zinc/80/08/66/682800866.db2.gz DCKKVDVDKYGCOH-UHFFFAOYSA-N 1 1 364.427 2.305 20 5 FEBDMO C[N@H+]1CC[C@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000794326760 682956730 /nfs/dbraw/zinc/95/67/30/682956730.db2.gz PYEGWAYLZWEOAK-JTQLQIEISA-N 1 1 368.231 2.194 20 5 FEBDMO C[N@H+]1CC[C@@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000794326762 682956994 /nfs/dbraw/zinc/95/69/94/682956994.db2.gz PYEGWAYLZWEOAK-SNVBAGLBSA-N 1 1 368.231 2.194 20 5 FEBDMO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000796156175 683133910 /nfs/dbraw/zinc/13/39/10/683133910.db2.gz FTCXAVQOKLOJCK-AWEZNQCLSA-N 1 1 353.423 2.172 20 5 FEBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1CC(C)(C)O ZINC000861183651 683366110 /nfs/dbraw/zinc/36/61/10/683366110.db2.gz NXEANXGCMVDWPN-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1CC(C)(C)O ZINC000861183651 683366117 /nfs/dbraw/zinc/36/61/17/683366117.db2.gz NXEANXGCMVDWPN-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928092983 683381796 /nfs/dbraw/zinc/38/17/96/683381796.db2.gz JKIZQOMPYCIGEF-GJZGRUSLSA-N 1 1 369.874 2.487 20 5 FEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000928097962 683387095 /nfs/dbraw/zinc/38/70/95/683387095.db2.gz XKETVFLPBJMHFB-ZIAGYGMSSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000928097962 683387101 /nfs/dbraw/zinc/38/71/01/683387101.db2.gz XKETVFLPBJMHFB-ZIAGYGMSSA-N 1 1 353.419 2.352 20 5 FEBDMO COc1cc(C(=O)OC[C@]2(C)C[C@H](OC)C[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000861351007 683396022 /nfs/dbraw/zinc/39/60/22/683396022.db2.gz BCXCGOFIRHFFMO-QFYYESIMSA-N 1 1 356.350 2.009 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928446095 683453298 /nfs/dbraw/zinc/45/32/98/683453298.db2.gz VDHVHERKRCQDQE-FZMZJTMJSA-N 1 1 353.444 2.156 20 5 FEBDMO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000799907015 683507948 /nfs/dbraw/zinc/50/79/48/683507948.db2.gz AYUHOCUSUXRFMV-AWEZNQCLSA-N 1 1 364.471 2.336 20 5 FEBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214046 683550952 /nfs/dbraw/zinc/55/09/52/683550952.db2.gz CGEDWMTVTSFVJY-UHFFFAOYSA-N 1 1 353.806 2.185 20 5 FEBDMO CC1([NH+]2CCC2)CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000921723306 683558051 /nfs/dbraw/zinc/55/80/51/683558051.db2.gz ZLECVQDMNJYVFT-UHFFFAOYSA-N 1 1 371.434 2.419 20 5 FEBDMO Cc1c(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cccc1[N+](=O)[O-] ZINC000922168239 683672793 /nfs/dbraw/zinc/67/27/93/683672793.db2.gz MPRNCZMJSLXGFD-HOCLYGCPSA-N 1 1 364.471 2.282 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC000930844181 683792054 /nfs/dbraw/zinc/79/20/54/683792054.db2.gz BQUZTIZVDOJEAE-KFWWJZLASA-N 1 1 357.451 2.047 20 5 FEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865809337 684031130 /nfs/dbraw/zinc/03/11/30/684031130.db2.gz OSTTUDJCEBWWRA-LLVKDONJSA-N 1 1 356.220 2.110 20 5 FEBDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C1CC1 ZINC000931848441 684356039 /nfs/dbraw/zinc/35/60/39/684356039.db2.gz ALMJVUFPSKSXOG-UONOGXRCSA-N 1 1 350.419 2.091 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815191 684398087 /nfs/dbraw/zinc/39/80/87/684398087.db2.gz YVCNHQJSXBJMTH-FZMZJTMJSA-N 1 1 373.862 2.271 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000872663164 685000454 /nfs/dbraw/zinc/00/04/54/685000454.db2.gz JAXICSJSWDOPSV-GJZGRUSLSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000872663164 685000455 /nfs/dbraw/zinc/00/04/55/685000455.db2.gz JAXICSJSWDOPSV-GJZGRUSLSA-N 1 1 353.444 2.014 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872666402 685001559 /nfs/dbraw/zinc/00/15/59/685001559.db2.gz UXSVEQAEYYFVLP-KGLIPLIRSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872666402 685001560 /nfs/dbraw/zinc/00/15/60/685001560.db2.gz UXSVEQAEYYFVLP-KGLIPLIRSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872666406 685001570 /nfs/dbraw/zinc/00/15/70/685001570.db2.gz UXSVEQAEYYFVLP-ZIAGYGMSSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872666406 685001572 /nfs/dbraw/zinc/00/15/72/685001572.db2.gz UXSVEQAEYYFVLP-ZIAGYGMSSA-N 1 1 373.862 2.414 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000879574995 686860487 /nfs/dbraw/zinc/86/04/87/686860487.db2.gz HSEQODXHHGJAQV-SMDDNHRTSA-N 1 1 352.822 2.213 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880135175 687003827 /nfs/dbraw/zinc/00/38/27/687003827.db2.gz RFOLBWXHAACTFD-KBPBESRZSA-N 1 1 352.822 2.355 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880135176 687004309 /nfs/dbraw/zinc/00/43/09/687004309.db2.gz RFOLBWXHAACTFD-KGLIPLIRSA-N 1 1 352.822 2.355 20 5 FEBDMO CC1(C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000880494387 687053987 /nfs/dbraw/zinc/05/39/87/687053987.db2.gz ASBLAFZJYMVJSN-GJZGRUSLSA-N 1 1 367.833 2.477 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000882501321 687379560 /nfs/dbraw/zinc/37/95/60/687379560.db2.gz RELCBUHIIYQZFT-YPMHNXCESA-N 1 1 373.862 2.271 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000885455440 688076894 /nfs/dbraw/zinc/07/68/94/688076894.db2.gz KTBKRSSVFKGVBR-OLZOCXBDSA-N 1 1 373.862 2.496 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000885459620 688078514 /nfs/dbraw/zinc/07/85/14/688078514.db2.gz LHCBORVXNWPHIN-OLZOCXBDSA-N 1 1 371.434 2.290 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887926752 688521090 /nfs/dbraw/zinc/52/10/90/688521090.db2.gz XAQYWMAUHWJGGZ-BZNIZROVSA-N 1 1 355.797 2.340 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887934707 688522632 /nfs/dbraw/zinc/52/26/32/688522632.db2.gz RJGPUZYVKPCZPL-BWACUDIHSA-N 1 1 367.833 2.426 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000888279312 688576642 /nfs/dbraw/zinc/57/66/42/688576642.db2.gz ATOUCABCWXRCBA-NEPJUHHUSA-N 1 1 370.837 2.475 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000888279312 688576646 /nfs/dbraw/zinc/57/66/46/688576646.db2.gz ATOUCABCWXRCBA-NEPJUHHUSA-N 1 1 370.837 2.475 20 5 FEBDMO COc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000895150461 689668219 /nfs/dbraw/zinc/66/82/19/689668219.db2.gz ASEPVJYGGJTRGT-UHFFFAOYSA-N 1 1 352.435 2.326 20 5 FEBDMO Cc1c(Br)c(N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895248257 689684110 /nfs/dbraw/zinc/68/41/10/689684110.db2.gz ZJGCVMMJMIWGSZ-JQWIXIFHSA-N 1 1 372.267 2.107 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000895650124 689749886 /nfs/dbraw/zinc/74/98/86/689749886.db2.gz UUZRJEWJHVWPKM-HZMBPMFUSA-N 1 1 362.304 2.111 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000895650124 689749889 /nfs/dbraw/zinc/74/98/89/689749889.db2.gz UUZRJEWJHVWPKM-HZMBPMFUSA-N 1 1 362.304 2.111 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900187339 690481011 /nfs/dbraw/zinc/48/10/11/690481011.db2.gz FDUDMSXIFPFJEV-UHFFFAOYSA-N 1 1 372.828 2.145 20 5 FEBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CNCCC1(F)F ZINC000903956682 690989228 /nfs/dbraw/zinc/98/92/28/690989228.db2.gz MWMMZJVYLSUNKO-VXGBXAGGSA-N 1 1 356.373 2.146 20 5 FEBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000903956682 690989231 /nfs/dbraw/zinc/98/92/31/690989231.db2.gz MWMMZJVYLSUNKO-VXGBXAGGSA-N 1 1 356.373 2.146 20 5 FEBDMO O=[N+]([O-])c1ccc(NC(=S)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000905633537 691154326 /nfs/dbraw/zinc/15/43/26/691154326.db2.gz LJMIFYPCGKDAFK-ZIAGYGMSSA-N 1 1 352.485 2.461 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908239779 691642263 /nfs/dbraw/zinc/64/22/63/691642263.db2.gz NNHVJABLBNEIDY-UHFFFAOYSA-N 1 1 374.844 2.343 20 5 FEBDMO CN(CCCN(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000908239779 691642266 /nfs/dbraw/zinc/64/22/66/691642266.db2.gz NNHVJABLBNEIDY-UHFFFAOYSA-N 1 1 374.844 2.343 20 5 FEBDMO COc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164621733 719052039 /nfs/dbraw/zinc/05/20/39/719052039.db2.gz JPMUQHSNXHCUCT-NVXWUHKLSA-N 1 1 369.425 2.494 20 5 FEBDMO COc1nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164723584 720351202 /nfs/dbraw/zinc/35/12/02/720351202.db2.gz IBQIALFHBRVSNK-CABCVRRESA-N 1 1 355.398 2.247 20 5 FEBDMO COc1nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164723590 720351217 /nfs/dbraw/zinc/35/12/17/720351217.db2.gz IBQIALFHBRVSNK-LSDHHAIUSA-N 1 1 355.398 2.247 20 5 FEBDMO COc1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164784316 721405837 /nfs/dbraw/zinc/40/58/37/721405837.db2.gz JMOGDFYHKIVQBE-TXEJJXNPSA-N 1 1 361.427 2.023 20 5 FEBDMO COc1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164784316 721405840 /nfs/dbraw/zinc/40/58/40/721405840.db2.gz JMOGDFYHKIVQBE-TXEJJXNPSA-N 1 1 361.427 2.023 20 5 FEBDMO O=[N+]([O-])c1cccc2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nc21 ZINC001164968059 722070963 /nfs/dbraw/zinc/07/09/63/722070963.db2.gz ZJKQYQQPYSSFLT-IYBDPMFKSA-N 1 1 354.410 2.442 20 5 FEBDMO C[C@@H]1C[C@H](CCNc2ncc([N+](=O)[O-])c(N)n2)C[N@H+]1Cc1ccccc1 ZINC000511635222 795275430 /nfs/dbraw/zinc/27/54/30/795275430.db2.gz FBWRCMILNGFTCM-HIFRSBDPSA-N 1 1 356.430 2.102 20 5 FEBDMO COC(=O)c1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000026486067 539788254 /nfs/dbraw/zinc/78/82/54/539788254.db2.gz QJHLWPQSRHTRSE-UHFFFAOYSA-N 1 1 356.382 2.099 20 5 FEBDMO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000030134730 539874410 /nfs/dbraw/zinc/87/44/10/539874410.db2.gz CBQXBIDNWSMHBD-ZDUSSCGKSA-N 1 1 355.460 2.450 20 5 FEBDMO CCOc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000046996632 540283589 /nfs/dbraw/zinc/28/35/89/540283589.db2.gz UBQMBVQELQTORQ-ZIAGYGMSSA-N 1 1 363.414 2.359 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000047147712 540292817 /nfs/dbraw/zinc/29/28/17/540292817.db2.gz CZWDWTZSRFOLML-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000048358735 540359280 /nfs/dbraw/zinc/35/92/80/540359280.db2.gz OQZVHZHOAPNTLQ-KBPBESRZSA-N 1 1 372.425 2.462 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000053666821 540547695 /nfs/dbraw/zinc/54/76/95/540547695.db2.gz LZLWPIWMVAOTGL-UHFFFAOYSA-N 1 1 354.410 2.299 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000053691017 540549911 /nfs/dbraw/zinc/54/99/11/540549911.db2.gz NITKDCOHNUDJKL-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000053691017 540549915 /nfs/dbraw/zinc/54/99/15/540549915.db2.gz NITKDCOHNUDJKL-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO Cc1cc(CN2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000055899675 540685113 /nfs/dbraw/zinc/68/51/13/540685113.db2.gz INFZKPHFOUVLOT-UHFFFAOYSA-N 1 1 360.414 2.478 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000056141012 540706349 /nfs/dbraw/zinc/70/63/49/540706349.db2.gz VGNGSHDZPRUKBN-AGUYFDCRSA-N 1 1 353.444 2.054 20 5 FEBDMO CC(C)[C@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000056385442 540722539 /nfs/dbraw/zinc/72/25/39/540722539.db2.gz SXYBJRRKLVQUHG-YOEHRIQHSA-N 1 1 364.446 2.312 20 5 FEBDMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056965590 540758433 /nfs/dbraw/zinc/75/84/33/540758433.db2.gz IZZYTXDRSKZELK-UHFFFAOYSA-N 1 1 354.410 2.147 20 5 FEBDMO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000057843589 540818915 /nfs/dbraw/zinc/81/89/15/540818915.db2.gz PIHFIZPWCHEMAD-ZDUSSCGKSA-N 1 1 363.439 2.478 20 5 FEBDMO COc1cc(OCC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000063711009 541180862 /nfs/dbraw/zinc/18/08/62/541180862.db2.gz AYONQRRCLBHYBU-CQSZACIVSA-N 1 1 365.430 2.219 20 5 FEBDMO COc1ccccc1[C@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000065857905 541267111 /nfs/dbraw/zinc/26/71/11/541267111.db2.gz KCPOEGYZCLHALI-KRWDZBQOSA-N 1 1 372.425 2.434 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000066196911 541290446 /nfs/dbraw/zinc/29/04/46/541290446.db2.gz SYZUPPBAJKHSKO-OAHLLOKOSA-N 1 1 363.462 2.157 20 5 FEBDMO CCCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000066543527 541333641 /nfs/dbraw/zinc/33/36/41/541333641.db2.gz JNKYDWXWYWDUKQ-AWEZNQCLSA-N 1 1 356.444 2.263 20 5 FEBDMO CCCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000066543527 541333645 /nfs/dbraw/zinc/33/36/45/541333645.db2.gz JNKYDWXWYWDUKQ-AWEZNQCLSA-N 1 1 356.444 2.263 20 5 FEBDMO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@H+]1CCC[C@@H](C)C1 ZINC000067137258 541422444 /nfs/dbraw/zinc/42/24/44/541422444.db2.gz OAQHGEYTMLERQO-KGLIPLIRSA-N 1 1 372.429 2.026 20 5 FEBDMO CC(C)C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000067722294 541505202 /nfs/dbraw/zinc/50/52/02/541505202.db2.gz RJLMBTQHWZDXQQ-KRWDZBQOSA-N 1 1 364.446 2.141 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000068178606 541558556 /nfs/dbraw/zinc/55/85/56/541558556.db2.gz VLXSWLVCYCIRPH-QGZVFWFLSA-N 1 1 374.441 2.023 20 5 FEBDMO COc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000068359626 541582000 /nfs/dbraw/zinc/58/20/00/541582000.db2.gz DAOIFIZUJRIWNK-NSHDSACASA-N 1 1 362.386 2.183 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069440995 541687247 /nfs/dbraw/zinc/68/72/47/541687247.db2.gz HAJZRTUIZQUOKK-OAHLLOKOSA-N 1 1 364.446 2.393 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000069857315 541717801 /nfs/dbraw/zinc/71/78/01/541717801.db2.gz FEDWIOQBJVXXNR-KRWDZBQOSA-N 1 1 363.458 2.408 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072725283 541858401 /nfs/dbraw/zinc/85/84/01/541858401.db2.gz WLNYTLZMSMBJFC-MRXNPFEDSA-N 1 1 360.458 2.290 20 5 FEBDMO COCCOC[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072796988 541866130 /nfs/dbraw/zinc/86/61/30/541866130.db2.gz XJHWDZNLAQRAKC-ZDUSSCGKSA-N 1 1 362.386 2.130 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000074067143 542033430 /nfs/dbraw/zinc/03/34/30/542033430.db2.gz AGIIBOJOMLIKLB-GOSISDBHSA-N 1 1 354.410 2.313 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000074067143 542033431 /nfs/dbraw/zinc/03/34/31/542033431.db2.gz AGIIBOJOMLIKLB-GOSISDBHSA-N 1 1 354.410 2.313 20 5 FEBDMO C[NH+](C)Cc1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1 ZINC000074449187 542085575 /nfs/dbraw/zinc/08/55/75/542085575.db2.gz UQHUABAXPIAYCG-UHFFFAOYSA-N 1 1 353.382 2.463 20 5 FEBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801555179 674135057 /nfs/dbraw/zinc/13/50/57/674135057.db2.gz GEQANYOWUPLBDC-ZWNOBZJWSA-N 1 1 359.220 2.329 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000077140535 542348310 /nfs/dbraw/zinc/34/83/10/542348310.db2.gz QOKNZARGHOWKBJ-CYBMUJFWSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000077140535 542348314 /nfs/dbraw/zinc/34/83/14/542348314.db2.gz QOKNZARGHOWKBJ-CYBMUJFWSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000077140535 542348317 /nfs/dbraw/zinc/34/83/17/542348317.db2.gz QOKNZARGHOWKBJ-CYBMUJFWSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000077451314 542383222 /nfs/dbraw/zinc/38/32/22/542383222.db2.gz FMBXTIFUIOYZOC-INIZCTEOSA-N 1 1 360.458 2.003 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079795527 542542430 /nfs/dbraw/zinc/54/24/30/542542430.db2.gz RSIRYHNSKFQNSX-SNVBAGLBSA-N 1 1 354.204 2.324 20 5 FEBDMO C[S@@](=O)c1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000080343267 542584461 /nfs/dbraw/zinc/58/44/61/542584461.db2.gz YVUAMZLBRJHQRK-VWLOTQADSA-N 1 1 362.407 2.393 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)[nH+]1 ZINC000080631464 542598872 /nfs/dbraw/zinc/59/88/72/542598872.db2.gz KLFYTQUCBYUCEX-UHFFFAOYSA-N 1 1 364.427 2.305 20 5 FEBDMO CCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081520932 542663346 /nfs/dbraw/zinc/66/33/46/542663346.db2.gz JMWINYXNDDYGTL-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081520932 542663349 /nfs/dbraw/zinc/66/33/49/542663349.db2.gz JMWINYXNDDYGTL-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000083990891 542706105 /nfs/dbraw/zinc/70/61/05/542706105.db2.gz IDMSCVMKDMPQCV-UHFFFAOYSA-N 1 1 361.851 2.273 20 5 FEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000083990891 542706107 /nfs/dbraw/zinc/70/61/07/542706107.db2.gz IDMSCVMKDMPQCV-UHFFFAOYSA-N 1 1 361.851 2.273 20 5 FEBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090070582 542782038 /nfs/dbraw/zinc/78/20/38/542782038.db2.gz RZKRMGYAQUNLPI-UHFFFAOYSA-N 1 1 369.425 2.279 20 5 FEBDMO CCc1nn(C)c(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1[N+](=O)[O-] ZINC000091733978 542822187 /nfs/dbraw/zinc/82/21/87/542822187.db2.gz UVUUCEQANIHUTR-UHFFFAOYSA-N 1 1 359.434 2.378 20 5 FEBDMO CCOc1cc(NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092641110 542876309 /nfs/dbraw/zinc/87/63/09/542876309.db2.gz AEYAWBAULAAPDZ-MRXNPFEDSA-N 1 1 364.446 2.348 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092734066 542884038 /nfs/dbraw/zinc/88/40/38/542884038.db2.gz ZFERCJAIEAUMHT-CYBMUJFWSA-N 1 1 365.430 2.350 20 5 FEBDMO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093808654 542941603 /nfs/dbraw/zinc/94/16/03/542941603.db2.gz SDBQMMSZYNJSSQ-SNVBAGLBSA-N 1 1 356.220 2.445 20 5 FEBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093808654 542941604 /nfs/dbraw/zinc/94/16/04/542941604.db2.gz SDBQMMSZYNJSSQ-SNVBAGLBSA-N 1 1 356.220 2.445 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000094127874 542953053 /nfs/dbraw/zinc/95/30/53/542953053.db2.gz IFHKZBOBRRHEGE-UHFFFAOYSA-N 1 1 362.474 2.230 20 5 FEBDMO CC[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)[N@H+]1CCc2ccccc2C1 ZINC000098104384 543021506 /nfs/dbraw/zinc/02/15/06/543021506.db2.gz WGVVKROBAOBZET-INIZCTEOSA-N 1 1 371.441 2.203 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000107692001 543275798 /nfs/dbraw/zinc/27/57/98/543275798.db2.gz ISUHXNNUCPYBGV-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@H]1CC[N@H+](CCF)C1 ZINC000802241407 674172852 /nfs/dbraw/zinc/17/28/52/674172852.db2.gz MZEOFEPAMHLXKT-ZDUSSCGKSA-N 1 1 355.322 2.023 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@H]1CC[N@@H+](CCF)C1 ZINC000802241407 674172854 /nfs/dbraw/zinc/17/28/54/674172854.db2.gz MZEOFEPAMHLXKT-ZDUSSCGKSA-N 1 1 355.322 2.023 20 5 FEBDMO O=C(C[N@H+](CCO)CCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000112698541 543457429 /nfs/dbraw/zinc/45/74/29/543457429.db2.gz DVEZBVDTADTBFL-UHFFFAOYSA-N 1 1 369.421 2.021 20 5 FEBDMO O=C(C[N@@H+](CCO)CCc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000112698541 543457431 /nfs/dbraw/zinc/45/74/31/543457431.db2.gz DVEZBVDTADTBFL-UHFFFAOYSA-N 1 1 369.421 2.021 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112921746 543468365 /nfs/dbraw/zinc/46/83/65/543468365.db2.gz JMUUFPJQUVUFAQ-AWEZNQCLSA-N 1 1 373.457 2.080 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000113301459 543483426 /nfs/dbraw/zinc/48/34/26/543483426.db2.gz DBTIOXNFNZRLNL-ZDUSSCGKSA-N 1 1 371.459 2.146 20 5 FEBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)(C)O ZINC000114487595 543520025 /nfs/dbraw/zinc/52/00/25/543520025.db2.gz SDEIERATJBMVLS-UHFFFAOYSA-N 1 1 374.235 2.389 20 5 FEBDMO Cc1c(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000118100093 543644795 /nfs/dbraw/zinc/64/47/95/543644795.db2.gz KLFJYGLMTLLDBW-UHFFFAOYSA-N 1 1 362.430 2.222 20 5 FEBDMO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000124703574 543838065 /nfs/dbraw/zinc/83/80/65/543838065.db2.gz ZNRFJFZCTLCFQF-OCCSQVGLSA-N 1 1 372.429 2.039 20 5 FEBDMO Cc1sc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000124744787 543840672 /nfs/dbraw/zinc/84/06/72/543840672.db2.gz CASLOPHNDFBEQM-GFCCVEGCSA-N 1 1 361.489 2.460 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000126146203 543921342 /nfs/dbraw/zinc/92/13/42/543921342.db2.gz HOIKWYUNFHODFA-UHFFFAOYSA-N 1 1 368.865 2.346 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000126146203 543921343 /nfs/dbraw/zinc/92/13/43/543921343.db2.gz HOIKWYUNFHODFA-UHFFFAOYSA-N 1 1 368.865 2.346 20 5 FEBDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126387375 543932897 /nfs/dbraw/zinc/93/28/97/543932897.db2.gz UYDQBBCLJXYXCR-FNODVLLQSA-N 1 1 351.428 2.491 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000127306682 543984986 /nfs/dbraw/zinc/98/49/86/543984986.db2.gz IXYKFMQSHJIWOB-PXAZEXFGSA-N 1 1 372.425 2.239 20 5 FEBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000131986834 544214616 /nfs/dbraw/zinc/21/46/16/544214616.db2.gz PSZUEEFEQAMOQO-SECBINFHSA-N 1 1 354.823 2.338 20 5 FEBDMO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1O2 ZINC000134992036 544330348 /nfs/dbraw/zinc/33/03/48/544330348.db2.gz JFGLKLPEQKZPRP-CYBMUJFWSA-N 1 1 371.397 2.036 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)C1 ZINC000135986240 544364449 /nfs/dbraw/zinc/36/44/49/544364449.db2.gz FJZAXBFSJGFGEY-CYBMUJFWSA-N 1 1 357.414 2.480 20 5 FEBDMO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000135986240 544364451 /nfs/dbraw/zinc/36/44/51/544364451.db2.gz FJZAXBFSJGFGEY-CYBMUJFWSA-N 1 1 357.414 2.480 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000135986240 544364453 /nfs/dbraw/zinc/36/44/53/544364453.db2.gz FJZAXBFSJGFGEY-CYBMUJFWSA-N 1 1 357.414 2.480 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000149911083 544460270 /nfs/dbraw/zinc/46/02/70/544460270.db2.gz LYZASFASCSNTQT-YOEHRIQHSA-N 1 1 371.441 2.442 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000150712411 544464143 /nfs/dbraw/zinc/46/41/43/544464143.db2.gz FKFVOMWBFGSXPV-GFCCVEGCSA-N 1 1 353.444 2.015 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000152850944 544703306 /nfs/dbraw/zinc/70/33/06/544703306.db2.gz IQFIFDDELSNQDA-CYBMUJFWSA-N 1 1 370.475 2.131 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000152938617 544714202 /nfs/dbraw/zinc/71/42/02/544714202.db2.gz IZMIMAWVNWPPTL-STQMWFEESA-N 1 1 351.403 2.167 20 5 FEBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCc1ccccn1 ZINC000152970843 544717036 /nfs/dbraw/zinc/71/70/36/544717036.db2.gz ICIJOXOKLPAXSY-UHFFFAOYSA-N 1 1 356.382 2.462 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1OC ZINC000153834728 544830586 /nfs/dbraw/zinc/83/05/86/544830586.db2.gz REACHAMIEVAVQA-HNNXBMFYSA-N 1 1 365.430 2.414 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1OC ZINC000153834728 544830588 /nfs/dbraw/zinc/83/05/88/544830588.db2.gz REACHAMIEVAVQA-HNNXBMFYSA-N 1 1 365.430 2.414 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000154277609 544885683 /nfs/dbraw/zinc/88/56/83/544885683.db2.gz WUEHLGWTRJUNAL-MRXNPFEDSA-N 1 1 365.478 2.425 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155115671 544991608 /nfs/dbraw/zinc/99/16/08/544991608.db2.gz FJQNEUSHGSYIDU-HNNXBMFYSA-N 1 1 355.460 2.088 20 5 FEBDMO O=C(CCCC[NH+]1CCOCC1)OCc1c(F)cc([N+](=O)[O-])cc1F ZINC000803513939 674247549 /nfs/dbraw/zinc/24/75/49/674247549.db2.gz XCFFIVRSGXELQM-UHFFFAOYSA-N 1 1 358.341 2.419 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[N@@H+](C)C2CCCCC2)n1 ZINC000553307468 674252207 /nfs/dbraw/zinc/25/22/07/674252207.db2.gz RHZDZEJMYQTJIY-UHFFFAOYSA-N 1 1 350.419 2.477 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182239347 327767180 /nfs/dbraw/zinc/76/71/80/327767180.db2.gz KIBNUNCLWSWCFB-CYBMUJFWSA-N 1 1 362.430 2.112 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000182924109 327794103 /nfs/dbraw/zinc/79/41/03/327794103.db2.gz KDDRQRDENBFCQD-RTBURBONSA-N 1 1 367.405 2.011 20 5 FEBDMO CCC[C@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000187324294 328016677 /nfs/dbraw/zinc/01/66/77/328016677.db2.gz PQQNOGPSCAHBAX-GOSISDBHSA-N 1 1 362.430 2.222 20 5 FEBDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000187324294 328016678 /nfs/dbraw/zinc/01/66/78/328016678.db2.gz PQQNOGPSCAHBAX-GOSISDBHSA-N 1 1 362.430 2.222 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000187357254 328019230 /nfs/dbraw/zinc/01/92/30/328019230.db2.gz SWXYXEGXXWMOLI-HNNXBMFYSA-N 1 1 352.431 2.352 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1 ZINC000187457983 328027050 /nfs/dbraw/zinc/02/70/50/328027050.db2.gz DOXQEZGBCZZBCN-KRWDZBQOSA-N 1 1 369.425 2.212 20 5 FEBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000188617999 328099000 /nfs/dbraw/zinc/09/90/00/328099000.db2.gz IUWGIVJJHPZGDM-LBPRGKRZSA-N 1 1 369.849 2.094 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H](O)C(F)(F)F ZINC000189479163 328150739 /nfs/dbraw/zinc/15/07/39/328150739.db2.gz WHPQMUBLZKILFI-ZDUSSCGKSA-N 1 1 363.336 2.477 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000191323744 328260217 /nfs/dbraw/zinc/26/02/17/328260217.db2.gz SYEXVPQKBYBBHQ-HNNXBMFYSA-N 1 1 362.430 2.398 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192959405 328349209 /nfs/dbraw/zinc/34/92/09/328349209.db2.gz APRIVXZHPRUOSQ-AWEZNQCLSA-N 1 1 355.398 2.023 20 5 FEBDMO C[N@H+]1CCCN(c2ccc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)cc2)CC1 ZINC000193431590 328375315 /nfs/dbraw/zinc/37/53/15/328375315.db2.gz LRXCVJXQLJGQAY-UHFFFAOYSA-N 1 1 371.397 2.090 20 5 FEBDMO COc1cccc2c1CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000193709296 328390884 /nfs/dbraw/zinc/39/08/84/328390884.db2.gz SNJBLEWZZIOHGS-QGZVFWFLSA-N 1 1 372.421 2.444 20 5 FEBDMO C[C@@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000078511727 325049245 /nfs/dbraw/zinc/04/92/45/325049245.db2.gz UEQUJSAETBODGZ-CABCVRRESA-N 1 1 364.446 2.012 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081047808 325157302 /nfs/dbraw/zinc/15/73/02/325157302.db2.gz BQGUDNYGEOEJLH-AWEZNQCLSA-N 1 1 361.320 2.231 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000237699112 328525408 /nfs/dbraw/zinc/52/54/08/328525408.db2.gz QOFFLRKAFFXSHS-QMMMGPOBSA-N 1 1 368.242 2.180 20 5 FEBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)Nc1ccccc1C ZINC000090512214 325361740 /nfs/dbraw/zinc/36/17/40/325361740.db2.gz PORGRJOROJYTGJ-UHFFFAOYSA-N 1 1 372.425 2.416 20 5 FEBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(=O)Nc1ccccc1C ZINC000090512214 325361742 /nfs/dbraw/zinc/36/17/42/325361742.db2.gz PORGRJOROJYTGJ-UHFFFAOYSA-N 1 1 372.425 2.416 20 5 FEBDMO Cc1ccc(C)c(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1 ZINC000090552648 325363341 /nfs/dbraw/zinc/36/33/41/325363341.db2.gz KEOWEQWOXRRMGQ-UHFFFAOYSA-N 1 1 356.426 2.196 20 5 FEBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000090553679 325363563 /nfs/dbraw/zinc/36/35/63/325363563.db2.gz WRNIYMCOVRUKNM-HNNXBMFYSA-N 1 1 372.425 2.496 20 5 FEBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000090553679 325363564 /nfs/dbraw/zinc/36/35/64/325363564.db2.gz WRNIYMCOVRUKNM-HNNXBMFYSA-N 1 1 372.425 2.496 20 5 FEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000120523245 326266027 /nfs/dbraw/zinc/26/60/27/326266027.db2.gz JGLMBQBQNRLIIF-AAEUAGOBSA-N 1 1 351.403 2.024 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000121397628 326335660 /nfs/dbraw/zinc/33/56/60/326335660.db2.gz VGFOTMLGUROLHS-UHFFFAOYSA-N 1 1 361.446 2.195 20 5 FEBDMO COC(=O)c1cc(N2CC[NH+](CCOC(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000131014275 326567389 /nfs/dbraw/zinc/56/73/89/326567389.db2.gz IQVZQIRQLOEIIC-UHFFFAOYSA-N 1 1 365.430 2.237 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)COc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000158672905 326903244 /nfs/dbraw/zinc/90/32/44/326903244.db2.gz CSJCHWOEGSQYKD-UHFFFAOYSA-N 1 1 356.382 2.026 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3c([N+](=O)[O-])cnn3C)cc2)C1 ZINC000162081202 327016314 /nfs/dbraw/zinc/01/63/14/327016314.db2.gz QWIMZQDPFNZBBX-AWEZNQCLSA-N 1 1 371.441 2.490 20 5 FEBDMO CCC[NH+]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000171311838 327131381 /nfs/dbraw/zinc/13/13/81/327131381.db2.gz BFSSNBQYNIOUAX-UHFFFAOYSA-N 1 1 353.444 2.493 20 5 FEBDMO COc1ccc(NC(=O)CCN2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172347305 327197160 /nfs/dbraw/zinc/19/71/60/327197160.db2.gz UBSYKDCJPQJDQT-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172347305 327197161 /nfs/dbraw/zinc/19/71/61/327197161.db2.gz UBSYKDCJPQJDQT-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCN(C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172347305 327197162 /nfs/dbraw/zinc/19/71/62/327197162.db2.gz UBSYKDCJPQJDQT-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO CCC(CC)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000173207068 327241074 /nfs/dbraw/zinc/24/10/74/327241074.db2.gz OQVOCKNPSZPJNG-GOSISDBHSA-N 1 1 363.458 2.391 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173247659 327243935 /nfs/dbraw/zinc/24/39/35/327243935.db2.gz JPPYPIXQADAPGZ-JQWIXIFHSA-N 1 1 361.851 2.209 20 5 FEBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173277713 327246135 /nfs/dbraw/zinc/24/61/35/327246135.db2.gz PZYIRHAYDQFOOP-JQWIXIFHSA-N 1 1 361.851 2.351 20 5 FEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000173842108 327288353 /nfs/dbraw/zinc/28/83/53/327288353.db2.gz XNXVJSJHGONKFZ-DZGCQCFKSA-N 1 1 353.444 2.231 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000173864640 327289590 /nfs/dbraw/zinc/28/95/90/327289590.db2.gz FKEDALKAYKEVCV-AWEZNQCLSA-N 1 1 353.444 2.138 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906290 327293359 /nfs/dbraw/zinc/29/33/59/327293359.db2.gz TYUDWWQUKPPIOF-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000174708720 327344645 /nfs/dbraw/zinc/34/46/45/327344645.db2.gz KZJCKZNTGMGTDI-WMZOPIPTSA-N 1 1 360.414 2.388 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828241 327353754 /nfs/dbraw/zinc/35/37/54/327353754.db2.gz CTAFZQYGACHVCI-UHFFFAOYSA-N 1 1 353.423 2.123 20 5 FEBDMO O=C([C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1)N1CCCCC1 ZINC000174833755 327353837 /nfs/dbraw/zinc/35/38/37/327353837.db2.gz WGDFJRIQKMRWHA-KRWDZBQOSA-N 1 1 357.414 2.135 20 5 FEBDMO CC[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000174866534 327356161 /nfs/dbraw/zinc/35/61/61/327356161.db2.gz OFMAKHHVZGHSRE-ZDUSSCGKSA-N 1 1 370.413 2.329 20 5 FEBDMO CC[C@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000174866534 327356162 /nfs/dbraw/zinc/35/61/62/327356162.db2.gz OFMAKHHVZGHSRE-ZDUSSCGKSA-N 1 1 370.413 2.329 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265982065 329179127 /nfs/dbraw/zinc/17/91/27/329179127.db2.gz ZERXISPRBAGUFG-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000266180473 329197702 /nfs/dbraw/zinc/19/77/02/329197702.db2.gz XRKJFXRZMIYZQC-CYBMUJFWSA-N 1 1 355.460 2.160 20 5 FEBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266203907 329199950 /nfs/dbraw/zinc/19/99/50/329199950.db2.gz HZONVNOTZNGMSC-ZDUSSCGKSA-N 1 1 359.382 2.135 20 5 FEBDMO Cc1[nH+]ccn1CCCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000266224835 329202094 /nfs/dbraw/zinc/20/20/94/329202094.db2.gz IMLHJUZZYCVICX-UHFFFAOYSA-N 1 1 352.416 2.396 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266229054 329202715 /nfs/dbraw/zinc/20/27/15/329202715.db2.gz TXDDTTOZKSJKQI-HNNXBMFYSA-N 1 1 369.425 2.047 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000266525609 329232809 /nfs/dbraw/zinc/23/28/09/329232809.db2.gz BECHKYATCMYMMA-PKOBYXMFSA-N 1 1 360.410 2.390 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369641 329320096 /nfs/dbraw/zinc/32/00/96/329320096.db2.gz FUJMOPOLINRSLX-YJBOKZPZSA-N 1 1 371.441 2.208 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1CNCC1(O)CC[NH+](C(C)C)CC1 ZINC000268457005 329421958 /nfs/dbraw/zinc/42/19/58/329421958.db2.gz YBDUZPYZUCQHEW-UHFFFAOYSA-N 1 1 351.447 2.318 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000271404037 329691240 /nfs/dbraw/zinc/69/12/40/329691240.db2.gz NCJMSDSQBPUDMR-LBPRGKRZSA-N 1 1 351.794 2.014 20 5 FEBDMO COc1cc(C[NH2+]Cc2ccnn2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272529129 329788638 /nfs/dbraw/zinc/78/86/38/329788638.db2.gz ZINNOOIKGQFOIY-UHFFFAOYSA-N 1 1 356.329 2.271 20 5 FEBDMO CC(C)[N@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275485851 330054485 /nfs/dbraw/zinc/05/44/85/330054485.db2.gz OLAOORGEMQVSOW-UHFFFAOYSA-N 1 1 352.410 2.479 20 5 FEBDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000275853170 330096586 /nfs/dbraw/zinc/09/65/86/330096586.db2.gz SCQJYSLQMWQNPX-UONOGXRCSA-N 1 1 364.446 2.142 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275858421 330097133 /nfs/dbraw/zinc/09/71/33/330097133.db2.gz XJDUASMQTFMQQE-GFCCVEGCSA-N 1 1 362.459 2.276 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275858421 330097134 /nfs/dbraw/zinc/09/71/34/330097134.db2.gz XJDUASMQTFMQQE-GFCCVEGCSA-N 1 1 362.459 2.276 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000276294241 330137955 /nfs/dbraw/zinc/13/79/55/330137955.db2.gz MFEQNOGVROBWCX-NSHDSACASA-N 1 1 350.400 2.105 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367055209 330211948 /nfs/dbraw/zinc/21/19/48/330211948.db2.gz OIDJJBCRCGQDOJ-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367055209 330211949 /nfs/dbraw/zinc/21/19/49/330211949.db2.gz OIDJJBCRCGQDOJ-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367074159 330213941 /nfs/dbraw/zinc/21/39/41/330213941.db2.gz NWWZVYWQRLMGAW-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO CCC[NH2+]CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440831806 330276184 /nfs/dbraw/zinc/27/61/84/330276184.db2.gz HEJXLHLDEXWRHJ-UHFFFAOYSA-N 1 1 356.231 2.180 20 5 FEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000804694566 674297667 /nfs/dbraw/zinc/29/76/67/674297667.db2.gz SNFFIOMXOKXYHF-CYBMUJFWSA-N 1 1 350.375 2.052 20 5 FEBDMO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000247559984 549357166 /nfs/dbraw/zinc/35/71/66/549357166.db2.gz ZNRFJFZCTLCFQF-JSGCOSHPSA-N 1 1 372.429 2.039 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155556554 545542468 /nfs/dbraw/zinc/54/24/68/545542468.db2.gz KCXDKUOWERRCOQ-CJNGLKHVSA-N 1 1 363.414 2.433 20 5 FEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000155662306 545555532 /nfs/dbraw/zinc/55/55/32/545555532.db2.gz GRXFTGRTYADRRD-GASCZTMLSA-N 1 1 360.458 2.362 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(Cn3ccnn3)CC2)cccc1[N+](=O)[O-] ZINC000155655280 545555374 /nfs/dbraw/zinc/55/53/74/545555374.db2.gz FHCAKUJARZSAMW-AWEZNQCLSA-N 1 1 372.429 2.234 20 5 FEBDMO CC(=O)N1CC[C@@H](C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000156739029 545653905 /nfs/dbraw/zinc/65/39/05/545653905.db2.gz DORRYTFECQBDFW-HIFRSBDPSA-N 1 1 362.430 2.030 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157720308 545773598 /nfs/dbraw/zinc/77/35/98/545773598.db2.gz CUPRYIQALJKDJI-CJNGLKHVSA-N 1 1 351.403 2.049 20 5 FEBDMO CCOCCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157720308 545773602 /nfs/dbraw/zinc/77/36/02/545773602.db2.gz CUPRYIQALJKDJI-CJNGLKHVSA-N 1 1 351.403 2.049 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158407653 545858313 /nfs/dbraw/zinc/85/83/13/545858313.db2.gz FEDOAPYAXYIXQU-HIFRSBDPSA-N 1 1 357.414 2.193 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000158964019 545909340 /nfs/dbraw/zinc/90/93/40/545909340.db2.gz IOBXKVRVUDBTOL-HNNXBMFYSA-N 1 1 367.471 2.074 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159845459 545984904 /nfs/dbraw/zinc/98/49/04/545984904.db2.gz FIBNAEGSDFAVAM-KRWDZBQOSA-N 1 1 370.453 2.353 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000160212547 546017892 /nfs/dbraw/zinc/01/78/92/546017892.db2.gz VDWGDFAACFXZON-HNNXBMFYSA-N 1 1 369.487 2.321 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000160787866 546072361 /nfs/dbraw/zinc/07/23/61/546072361.db2.gz SGZJPLCEQRXRTR-QGZVFWFLSA-N 1 1 369.425 2.062 20 5 FEBDMO CCc1n[nH]c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175788481 546350754 /nfs/dbraw/zinc/35/07/54/546350754.db2.gz KMHXIZOKUQCDJH-OAHLLOKOSA-N 1 1 371.441 2.474 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175788481 546350757 /nfs/dbraw/zinc/35/07/57/546350757.db2.gz KMHXIZOKUQCDJH-OAHLLOKOSA-N 1 1 371.441 2.474 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175788481 546350761 /nfs/dbraw/zinc/35/07/61/546350761.db2.gz KMHXIZOKUQCDJH-OAHLLOKOSA-N 1 1 371.441 2.474 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000176981474 546518233 /nfs/dbraw/zinc/51/82/33/546518233.db2.gz HVKQVCJDHCZDQX-UHFFFAOYSA-N 1 1 374.235 2.055 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[N@H+]1C1CC1 ZINC000177142654 546553771 /nfs/dbraw/zinc/55/37/71/546553771.db2.gz KTDXFAVYKSMJFE-QWHCGFSZSA-N 1 1 355.398 2.136 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CCO1 ZINC000177313931 546591905 /nfs/dbraw/zinc/59/19/05/546591905.db2.gz MEWGNEJIERNNTL-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000177759152 546681797 /nfs/dbraw/zinc/68/17/97/546681797.db2.gz QKGAZLLPURPZPJ-KGLIPLIRSA-N 1 1 363.414 2.067 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179505932 546966591 /nfs/dbraw/zinc/96/65/91/546966591.db2.gz YGCQKEKBFPFDPB-CQSZACIVSA-N 1 1 370.413 2.069 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)n2)cc1 ZINC000483023488 561265321 /nfs/dbraw/zinc/26/53/21/561265321.db2.gz QINRIPOEUQXDJG-MRXNPFEDSA-N 1 1 374.397 2.415 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000181029157 547233482 /nfs/dbraw/zinc/23/34/82/547233482.db2.gz IZIWXUPPWGDUOP-UHFFFAOYSA-N 1 1 362.430 2.141 20 5 FEBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000181349590 547298615 /nfs/dbraw/zinc/29/86/15/547298615.db2.gz ZBNNRJIMPBSJKM-IUODEOHRSA-N 1 1 373.409 2.412 20 5 FEBDMO O=C(CC[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000181745796 547373341 /nfs/dbraw/zinc/37/33/41/547373341.db2.gz MIDCTNGZUAXHMG-GJZGRUSLSA-N 1 1 369.418 2.269 20 5 FEBDMO C[S@](=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183073853 547596527 /nfs/dbraw/zinc/59/65/27/547596527.db2.gz SDNZYLVVOIXDTA-BZQUYTCOSA-N 1 1 361.423 2.243 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000183763840 547714892 /nfs/dbraw/zinc/71/48/92/547714892.db2.gz SIDCHUQQOWNHKP-INIZCTEOSA-N 1 1 355.394 2.091 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000184379359 547817352 /nfs/dbraw/zinc/81/73/52/547817352.db2.gz AXJBXNZXFRZGRH-GFCCVEGCSA-N 1 1 354.838 2.004 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000184412987 547823402 /nfs/dbraw/zinc/82/34/02/547823402.db2.gz CDRSJBSJIPLMCW-DYVFJYSZSA-N 1 1 364.446 2.044 20 5 FEBDMO O=C(C[NH2+][C@H](CCO)c1ccco1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000185130296 547938224 /nfs/dbraw/zinc/93/82/24/547938224.db2.gz NBXYDVAFKABETK-GFCCVEGCSA-N 1 1 353.762 2.493 20 5 FEBDMO CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000185169666 547945898 /nfs/dbraw/zinc/94/58/98/547945898.db2.gz XHWGAVXQDOXZJY-HNNXBMFYSA-N 1 1 369.425 2.309 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000185237385 547957118 /nfs/dbraw/zinc/95/71/18/547957118.db2.gz OBMFKROKEBHMLF-UHFFFAOYSA-N 1 1 361.851 2.271 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000195666934 548656814 /nfs/dbraw/zinc/65/68/14/548656814.db2.gz PXFKIQSLKQFPFR-CHWSQXEVSA-N 1 1 370.475 2.035 20 5 FEBDMO C[N@H+](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)Cc1ccccc1 ZINC000487056466 561362419 /nfs/dbraw/zinc/36/24/19/561362419.db2.gz IVPHSSHTMBYSIY-UHFFFAOYSA-N 1 1 357.414 2.087 20 5 FEBDMO C[N@@H+](CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)Cc1ccccc1 ZINC000487056466 561362420 /nfs/dbraw/zinc/36/24/20/561362420.db2.gz IVPHSSHTMBYSIY-UHFFFAOYSA-N 1 1 357.414 2.087 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000245540780 548941879 /nfs/dbraw/zinc/94/18/79/548941879.db2.gz IOWWPAVPKHHNLP-ZENOOKHLSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246230304 549084923 /nfs/dbraw/zinc/08/49/23/549084923.db2.gz SCNIHANQMYYBAO-HIFRSBDPSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246430673 549130640 /nfs/dbraw/zinc/13/06/40/549130640.db2.gz AZBMWQGLQFFYJX-XEZPLFJOSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246430673 549130643 /nfs/dbraw/zinc/13/06/43/549130643.db2.gz AZBMWQGLQFFYJX-XEZPLFJOSA-N 1 1 363.414 2.431 20 5 FEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000246464942 549139122 /nfs/dbraw/zinc/13/91/22/549139122.db2.gz NROSFTDQMQBPLR-BZUAXINKSA-N 1 1 354.451 2.068 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246782528 549211794 /nfs/dbraw/zinc/21/17/94/549211794.db2.gz RVVDZFJICWTNRB-STQMWFEESA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246782528 549211801 /nfs/dbraw/zinc/21/18/01/549211801.db2.gz RVVDZFJICWTNRB-STQMWFEESA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000247252788 549307915 /nfs/dbraw/zinc/30/79/15/549307915.db2.gz ZTOIUTLYRQMEHM-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO O=C(CC[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000248571811 549460923 /nfs/dbraw/zinc/46/09/23/549460923.db2.gz MIDCTNGZUAXHMG-CABCVRRESA-N 1 1 369.418 2.269 20 5 FEBDMO COc1cc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000249160132 549562539 /nfs/dbraw/zinc/56/25/39/549562539.db2.gz ZOYXHHVRZOJCHP-OLZOCXBDSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000249734457 549621139 /nfs/dbraw/zinc/62/11/39/549621139.db2.gz CXNFDUNTVYWELB-QWHCGFSZSA-N 1 1 365.430 2.462 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000252012485 549661748 /nfs/dbraw/zinc/66/17/48/549661748.db2.gz XUEJIGSJNFNCPA-MLGOLLRUSA-N 1 1 351.403 2.289 20 5 FEBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000253552280 549695280 /nfs/dbraw/zinc/69/52/80/549695280.db2.gz YTEKONVNLVVDCG-MEDUHNTESA-N 1 1 358.398 2.307 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000253554167 549695430 /nfs/dbraw/zinc/69/54/30/549695430.db2.gz LOZJPRUKKXGXKT-YVEFUNNKSA-N 1 1 370.409 2.405 20 5 FEBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261913989 549769421 /nfs/dbraw/zinc/76/94/21/549769421.db2.gz HWWLRWUSEAXIIX-GOSISDBHSA-N 1 1 369.425 2.355 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000262229782 549800590 /nfs/dbraw/zinc/80/05/90/549800590.db2.gz NRSIYDZDSVXXCU-KGLIPLIRSA-N 1 1 357.414 2.085 20 5 FEBDMO CN1CC[NH+](CCCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000263754185 549931180 /nfs/dbraw/zinc/93/11/80/549931180.db2.gz PORUXBIUIZYWLE-UHFFFAOYSA-N 1 1 357.252 2.407 20 5 FEBDMO CS[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000270637729 550291789 /nfs/dbraw/zinc/29/17/89/550291789.db2.gz IFRPFJXFYYHMTH-HZPDHXFCSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000270637729 550291791 /nfs/dbraw/zinc/29/17/91/550291791.db2.gz IFRPFJXFYYHMTH-HZPDHXFCSA-N 1 1 366.487 2.209 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC2(C)C)cc1OC ZINC000270867425 550315438 /nfs/dbraw/zinc/31/54/38/550315438.db2.gz BEBAHMAQILKBTJ-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1OC ZINC000270867425 550315439 /nfs/dbraw/zinc/31/54/39/550315439.db2.gz BEBAHMAQILKBTJ-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@H]21 ZINC000272287616 550434519 /nfs/dbraw/zinc/43/45/19/550434519.db2.gz UYMDHVZCULTBQV-GXFFZTMASA-N 1 1 361.427 2.156 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000272311904 550436911 /nfs/dbraw/zinc/43/69/11/550436911.db2.gz IJFFGKOLARZCCV-ZWNOBZJWSA-N 1 1 363.443 2.402 20 5 FEBDMO COc1cc(C[NH2+]CCc2n[nH]c(C)n2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272585666 550459153 /nfs/dbraw/zinc/45/91/53/550459153.db2.gz YYILEFZXJCMDJC-UHFFFAOYSA-N 1 1 371.344 2.006 20 5 FEBDMO COc1cc(C[NH2+]CCc2nnc(C)[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272585666 550459154 /nfs/dbraw/zinc/45/91/54/550459154.db2.gz YYILEFZXJCMDJC-UHFFFAOYSA-N 1 1 371.344 2.006 20 5 FEBDMO CCc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000272809707 550471682 /nfs/dbraw/zinc/47/16/82/550471682.db2.gz CIIQLJQGKDDLLH-UHFFFAOYSA-N 1 1 355.398 2.218 20 5 FEBDMO C[C@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1=CC[N@@H+](C)CC1 ZINC000273056130 550482807 /nfs/dbraw/zinc/48/28/07/550482807.db2.gz XXMGOPLGQRYCDO-HNNXBMFYSA-N 1 1 373.457 2.077 20 5 FEBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274619860 550546378 /nfs/dbraw/zinc/54/63/78/550546378.db2.gz FLHIMOMFGNHXLF-OAHLLOKOSA-N 1 1 359.430 2.215 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[S@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277184683 550641050 /nfs/dbraw/zinc/64/10/50/550641050.db2.gz LMTQBQBHIQABBT-FNODVLLQSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[S@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277184683 550641052 /nfs/dbraw/zinc/64/10/52/550641052.db2.gz LMTQBQBHIQABBT-FNODVLLQSA-N 1 1 353.444 2.075 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277732050 550707628 /nfs/dbraw/zinc/70/76/28/550707628.db2.gz OHJFJZVUQFIQLR-CHWSQXEVSA-N 1 1 374.445 2.391 20 5 FEBDMO Cc1c[nH+]ccc1OC1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000278552781 550798506 /nfs/dbraw/zinc/79/85/06/550798506.db2.gz VZJLUADEFMWYCO-UHFFFAOYSA-N 1 1 356.382 2.445 20 5 FEBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000278671859 550809935 /nfs/dbraw/zinc/80/99/35/550809935.db2.gz BMUSXHSVCQILML-AWEZNQCLSA-N 1 1 357.414 2.446 20 5 FEBDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495251538 561485651 /nfs/dbraw/zinc/48/56/51/561485651.db2.gz WKCZGMUXPRNYPS-FZKQIMNGSA-N 1 1 363.414 2.376 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279286904 550873755 /nfs/dbraw/zinc/87/37/55/550873755.db2.gz KSDAKYXSMHPBLO-SJKOYZFVSA-N 1 1 363.414 2.431 20 5 FEBDMO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CN1 ZINC000279405332 550886229 /nfs/dbraw/zinc/88/62/29/550886229.db2.gz LJADJWLOMAZEDL-AWEZNQCLSA-N 1 1 354.204 2.069 20 5 FEBDMO O=C1C[C@@]2(CC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CN1 ZINC000279405332 550886231 /nfs/dbraw/zinc/88/62/31/550886231.db2.gz LJADJWLOMAZEDL-AWEZNQCLSA-N 1 1 354.204 2.069 20 5 FEBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969347 550948151 /nfs/dbraw/zinc/94/81/51/550948151.db2.gz YUJKKLYQPZSVKY-HBUWYVDXSA-N 1 1 363.414 2.192 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCOc2cccc([N+](=O)[O-])c2)O1 ZINC000282465689 551233115 /nfs/dbraw/zinc/23/31/15/551233115.db2.gz NIZSYUVDOHATOL-YYQUZTFQSA-N 1 1 364.398 2.157 20 5 FEBDMO C[N@@H+]1CC[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284271740 551512355 /nfs/dbraw/zinc/51/23/55/551512355.db2.gz MUXWWSDOZLCLJW-AEFFLSMTSA-N 1 1 354.410 2.229 20 5 FEBDMO C[N@H+]1CC[C@@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000284271740 551512357 /nfs/dbraw/zinc/51/23/57/551512357.db2.gz MUXWWSDOZLCLJW-AEFFLSMTSA-N 1 1 354.410 2.229 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000498465969 561524920 /nfs/dbraw/zinc/52/49/20/561524920.db2.gz PMTVQTSDMYQGEY-AWEZNQCLSA-N 1 1 351.451 2.118 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@H]1C ZINC000498556499 561528221 /nfs/dbraw/zinc/52/82/21/561528221.db2.gz QHYBHGJLYTYFBM-ZIAGYGMSSA-N 1 1 372.425 2.463 20 5 FEBDMO COc1ccc(CSCC(=O)NC[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000498638541 561530690 /nfs/dbraw/zinc/53/06/90/561530690.db2.gz MPTYBRPIKHJNFR-ZDUSSCGKSA-N 1 1 353.444 2.047 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286189096 551859053 /nfs/dbraw/zinc/85/90/53/551859053.db2.gz XLCSSOKCFZOZPX-TZMCWYRMSA-N 1 1 353.394 2.038 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286189096 551859054 /nfs/dbraw/zinc/85/90/54/551859054.db2.gz XLCSSOKCFZOZPX-TZMCWYRMSA-N 1 1 353.394 2.038 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286190704 551859274 /nfs/dbraw/zinc/85/92/74/551859274.db2.gz FCOQAUDFIUDITF-GFCCVEGCSA-N 1 1 364.475 2.285 20 5 FEBDMO CC(=O)c1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000287146336 551969155 /nfs/dbraw/zinc/96/91/55/551969155.db2.gz GAXSCEYZEVCLGF-KRWDZBQOSA-N 1 1 360.458 2.404 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499464367 561551621 /nfs/dbraw/zinc/55/16/21/561551621.db2.gz NLUNSFNXQRXAAU-CABCVRRESA-N 1 1 371.441 2.221 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288380327 552143906 /nfs/dbraw/zinc/14/39/06/552143906.db2.gz VICXAFKKJMASNM-PBHICJAKSA-N 1 1 371.441 2.269 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000288417529 552150117 /nfs/dbraw/zinc/15/01/17/552150117.db2.gz NQBQSSYOQJABEY-LJQANCHMSA-N 1 1 369.425 2.365 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000288417529 552150118 /nfs/dbraw/zinc/15/01/18/552150118.db2.gz NQBQSSYOQJABEY-LJQANCHMSA-N 1 1 369.425 2.365 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000288417529 552150120 /nfs/dbraw/zinc/15/01/20/552150120.db2.gz NQBQSSYOQJABEY-LJQANCHMSA-N 1 1 369.425 2.365 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000289350283 552305685 /nfs/dbraw/zinc/30/56/85/552305685.db2.gz JBRIIVKGHBOKCZ-CQSZACIVSA-N 1 1 355.460 2.007 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(=O)n1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000289433918 552320926 /nfs/dbraw/zinc/32/09/26/552320926.db2.gz SKHDGRXLTRGNJI-QGZVFWFLSA-N 1 1 357.410 2.356 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000290157551 552436007 /nfs/dbraw/zinc/43/60/07/552436007.db2.gz PARKTZNZUODVRG-UHFFFAOYSA-N 1 1 364.490 2.214 20 5 FEBDMO CN(CCCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000290157551 552436008 /nfs/dbraw/zinc/43/60/08/552436008.db2.gz PARKTZNZUODVRG-UHFFFAOYSA-N 1 1 364.490 2.214 20 5 FEBDMO C[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000290779416 552536906 /nfs/dbraw/zinc/53/69/06/552536906.db2.gz MRHVJIOQLAVMBD-AWEZNQCLSA-N 1 1 369.425 2.190 20 5 FEBDMO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290914113 552560859 /nfs/dbraw/zinc/56/08/59/552560859.db2.gz HHHOZPVECFCWIY-HIFRSBDPSA-N 1 1 369.425 2.411 20 5 FEBDMO CCOC(=O)c1cc(N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000291079338 552584735 /nfs/dbraw/zinc/58/47/35/552584735.db2.gz HYMPHELKGVTVHM-CZUORRHYSA-N 1 1 363.414 2.071 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000291618463 552644062 /nfs/dbraw/zinc/64/40/62/552644062.db2.gz BZTDPIDAGSPSHN-OAHLLOKOSA-N 1 1 373.862 2.273 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000292171197 552701147 /nfs/dbraw/zinc/70/11/47/552701147.db2.gz PSAPJTMDYFXGQH-NVXWUHKLSA-N 1 1 350.415 2.083 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292274003 552711200 /nfs/dbraw/zinc/71/12/00/552711200.db2.gz QLZVWJWZDPXFMC-SFHVURJKSA-N 1 1 363.414 2.170 20 5 FEBDMO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000501618525 561602277 /nfs/dbraw/zinc/60/22/77/561602277.db2.gz JHFCNGRSPZOSOE-KGLIPLIRSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501618525 561602278 /nfs/dbraw/zinc/60/22/78/561602278.db2.gz JHFCNGRSPZOSOE-KGLIPLIRSA-N 1 1 357.414 2.063 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000295045123 552953635 /nfs/dbraw/zinc/95/36/35/552953635.db2.gz FEKHTBPEQOGAKE-ZDUSSCGKSA-N 1 1 359.373 2.133 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295045123 552953636 /nfs/dbraw/zinc/95/36/36/552953636.db2.gz FEKHTBPEQOGAKE-ZDUSSCGKSA-N 1 1 359.373 2.133 20 5 FEBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295165892 552965230 /nfs/dbraw/zinc/96/52/30/552965230.db2.gz STIGWSZPEUGKTC-HEWZJLJBSA-N 1 1 365.430 2.425 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000502524628 561620380 /nfs/dbraw/zinc/62/03/80/561620380.db2.gz IMBJZBPTQDMMTH-DLBZAZTESA-N 1 1 361.442 2.194 20 5 FEBDMO COC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296661418 553195066 /nfs/dbraw/zinc/19/50/66/553195066.db2.gz JXPDSBFPQVOWGA-KRWDZBQOSA-N 1 1 351.403 2.290 20 5 FEBDMO COC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296758723 553207811 /nfs/dbraw/zinc/20/78/11/553207811.db2.gz PDKWUUCXAVTOHG-SJKOYZFVSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296758723 553207812 /nfs/dbraw/zinc/20/78/12/553207812.db2.gz PDKWUUCXAVTOHG-SJKOYZFVSA-N 1 1 351.403 2.289 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[C@H](C)C1 ZINC000296966542 553236248 /nfs/dbraw/zinc/23/62/48/553236248.db2.gz CXHDBRYBAIPJQA-OCCSQVGLSA-N 1 1 355.460 2.165 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[C@H](C)C1 ZINC000296966556 553236266 /nfs/dbraw/zinc/23/62/66/553236266.db2.gz CXHDBRYBAIPJQA-TZMCWYRMSA-N 1 1 355.460 2.165 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000297326016 553278651 /nfs/dbraw/zinc/27/86/51/553278651.db2.gz HKWFWDRSMFLKIT-CQSZACIVSA-N 1 1 350.419 2.126 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000297442789 553292676 /nfs/dbraw/zinc/29/26/76/553292676.db2.gz RTRAAJHOJWWEKF-SFHVURJKSA-N 1 1 362.430 2.231 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297563510 553309607 /nfs/dbraw/zinc/30/96/07/553309607.db2.gz KSTFQAMZLMMIGO-HNNXBMFYSA-N 1 1 364.446 2.408 20 5 FEBDMO COC(=O)c1cc(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000297925593 553358452 /nfs/dbraw/zinc/35/84/52/553358452.db2.gz VEIUSXHQZIBLAW-PHIMTYICSA-N 1 1 364.402 2.246 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000297924995 553358471 /nfs/dbraw/zinc/35/84/71/553358471.db2.gz ZMXBSWFRNYAUPO-VIFPVBQESA-N 1 1 357.208 2.431 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000298152819 553390884 /nfs/dbraw/zinc/39/08/84/553390884.db2.gz BEOIJURIMBCHTE-GOSISDBHSA-N 1 1 372.429 2.098 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)C2)C1 ZINC000298152823 553391052 /nfs/dbraw/zinc/39/10/52/553391052.db2.gz BEOIJURIMBCHTE-SFHVURJKSA-N 1 1 372.429 2.098 20 5 FEBDMO O=C(CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000298200284 553397534 /nfs/dbraw/zinc/39/75/34/553397534.db2.gz XWDIRMYWCSUEHL-UHFFFAOYSA-N 1 1 355.398 2.141 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](CC(C)(C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000299259411 553538331 /nfs/dbraw/zinc/53/83/31/553538331.db2.gz KFWHSUZCEPHVJQ-UHFFFAOYSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000299302421 553544958 /nfs/dbraw/zinc/54/49/58/553544958.db2.gz KQSKBZPGDVBHTB-HLLBOEOZSA-N 1 1 361.442 2.238 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000299302421 553544959 /nfs/dbraw/zinc/54/49/59/553544959.db2.gz KQSKBZPGDVBHTB-HLLBOEOZSA-N 1 1 361.442 2.238 20 5 FEBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299556729 553580851 /nfs/dbraw/zinc/58/08/51/553580851.db2.gz XEDSENBKKPJAHP-ZIAGYGMSSA-N 1 1 362.386 2.476 20 5 FEBDMO Cc1nn(C)c(NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301071541 553618956 /nfs/dbraw/zinc/61/89/56/553618956.db2.gz DCHOTQBNEFJQIV-KRWDZBQOSA-N 1 1 372.473 2.427 20 5 FEBDMO Cc1nn(C)c(NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301071541 553618958 /nfs/dbraw/zinc/61/89/58/553618958.db2.gz DCHOTQBNEFJQIV-KRWDZBQOSA-N 1 1 372.473 2.427 20 5 FEBDMO Cc1nn(C)c(NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000301071541 553618960 /nfs/dbraw/zinc/61/89/60/553618960.db2.gz DCHOTQBNEFJQIV-KRWDZBQOSA-N 1 1 372.473 2.427 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301162604 553627602 /nfs/dbraw/zinc/62/76/02/553627602.db2.gz HQRIEHOPBJTVAH-GFCCVEGCSA-N 1 1 370.475 2.165 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000301266509 553637483 /nfs/dbraw/zinc/63/74/83/553637483.db2.gz PVCTXOXJDOFBKE-MNOVXSKESA-N 1 1 358.236 2.249 20 5 FEBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302204321 553710212 /nfs/dbraw/zinc/71/02/12/553710212.db2.gz CJZRNIGAJYYSTQ-SJORKVTESA-N 1 1 357.414 2.476 20 5 FEBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302204321 553710213 /nfs/dbraw/zinc/71/02/13/553710213.db2.gz CJZRNIGAJYYSTQ-SJORKVTESA-N 1 1 357.414 2.476 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302428160 553716748 /nfs/dbraw/zinc/71/67/48/553716748.db2.gz KKZVUCPHQVNHMV-MNOVXSKESA-N 1 1 358.236 2.249 20 5 FEBDMO C[NH+](C)CC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000330810831 554174847 /nfs/dbraw/zinc/17/48/47/554174847.db2.gz JTGSDOLAWYDIDM-UHFFFAOYSA-N 1 1 359.423 2.134 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000331031436 554203253 /nfs/dbraw/zinc/20/32/53/554203253.db2.gz GNGLHHJRJPFVRD-AWEZNQCLSA-N 1 1 355.460 2.363 20 5 FEBDMO COc1cc(S(=O)(=O)NCC[N@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331268776 554238936 /nfs/dbraw/zinc/23/89/36/554238936.db2.gz DWJKOYNSWVICEZ-UHFFFAOYSA-N 1 1 371.459 2.004 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331365249 554251604 /nfs/dbraw/zinc/25/16/04/554251604.db2.gz CYDCARVEXIRORT-CABCVRRESA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331365249 554251605 /nfs/dbraw/zinc/25/16/05/554251605.db2.gz CYDCARVEXIRORT-CABCVRRESA-N 1 1 374.441 2.256 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000332197835 554399362 /nfs/dbraw/zinc/39/93/62/554399362.db2.gz DZHVPOUFNNPTIW-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000332247159 554408933 /nfs/dbraw/zinc/40/89/33/554408933.db2.gz XDOVDDFLVDTECH-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253151 554410697 /nfs/dbraw/zinc/41/06/97/554410697.db2.gz MILHXGSESGUVKZ-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000332422464 554444079 /nfs/dbraw/zinc/44/40/79/554444079.db2.gz ABFRNNDWDJAUTO-WMLDXEAASA-N 1 1 367.471 2.026 20 5 FEBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000332422464 554444081 /nfs/dbraw/zinc/44/40/81/554444081.db2.gz ABFRNNDWDJAUTO-WMLDXEAASA-N 1 1 367.471 2.026 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)c1 ZINC000510403414 561833605 /nfs/dbraw/zinc/83/36/05/561833605.db2.gz VPEFGFGXPVBNPV-UHFFFAOYSA-N 1 1 356.361 2.174 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3c(ncn3-c3ccc(F)cc3)C2)c1 ZINC000510403414 561833606 /nfs/dbraw/zinc/83/36/06/561833606.db2.gz VPEFGFGXPVBNPV-UHFFFAOYSA-N 1 1 356.361 2.174 20 5 FEBDMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511063810 561855570 /nfs/dbraw/zinc/85/55/70/561855570.db2.gz IVPRTEAUZPQXCP-AWEZNQCLSA-N 1 1 359.430 2.447 20 5 FEBDMO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511063810 561855571 /nfs/dbraw/zinc/85/55/71/561855571.db2.gz IVPRTEAUZPQXCP-AWEZNQCLSA-N 1 1 359.430 2.447 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361813404 554936257 /nfs/dbraw/zinc/93/62/57/554936257.db2.gz MLZCYNARBIPZAC-WDEREUQCSA-N 1 1 364.358 2.328 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000362022776 554944685 /nfs/dbraw/zinc/94/46/85/554944685.db2.gz MSFKEDDPYMYREX-FZMZJTMJSA-N 1 1 373.862 2.271 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000362076559 554948071 /nfs/dbraw/zinc/94/80/71/554948071.db2.gz HDQFUXSBBQVXOB-ZIAGYGMSSA-N 1 1 355.398 2.137 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363118390 555034585 /nfs/dbraw/zinc/03/45/85/555034585.db2.gz XHYCJZPRJIRTFP-XEGUGMAKSA-N 1 1 351.353 2.429 20 5 FEBDMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000363711461 555169628 /nfs/dbraw/zinc/16/96/28/555169628.db2.gz JIBLHSVZCKSPMD-SCLBCKFNSA-N 1 1 372.381 2.420 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364018959 555234885 /nfs/dbraw/zinc/23/48/85/555234885.db2.gz GZTLOCVPFCDGML-QZTJIDSGSA-N 1 1 374.441 2.399 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000364335440 555293292 /nfs/dbraw/zinc/29/32/92/555293292.db2.gz IZOYVHLDZYWNKK-GOEBONIOSA-N 1 1 361.358 2.070 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343933 555295468 /nfs/dbraw/zinc/29/54/68/555295468.db2.gz PULYLNSJLUHMLQ-MNEFBYGVSA-N 1 1 363.458 2.453 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000364581084 555344620 /nfs/dbraw/zinc/34/46/20/555344620.db2.gz OSJLHBKPROYIMB-UHFFFAOYSA-N 1 1 365.430 2.096 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c([N+](=O)[O-])cc1OC ZINC000364654233 555364098 /nfs/dbraw/zinc/36/40/98/555364098.db2.gz MVWQZMSXJHBEJH-SFHVURJKSA-N 1 1 363.414 2.056 20 5 FEBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)C[C@@H](C)O1 ZINC000513377697 561935985 /nfs/dbraw/zinc/93/59/85/561935985.db2.gz VYFQPHKUDUPEGF-VXGBXAGGSA-N 1 1 359.386 2.179 20 5 FEBDMO Cc1ccccc1CCNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365823739 555676193 /nfs/dbraw/zinc/67/61/93/555676193.db2.gz WDPZRNXWAWFZAU-UHFFFAOYSA-N 1 1 371.441 2.096 20 5 FEBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccc(F)c(F)c1 ZINC000365834816 555678710 /nfs/dbraw/zinc/67/87/10/555678710.db2.gz CSTWMFJVBFFNED-UHFFFAOYSA-N 1 1 365.340 2.345 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]2[C@H]1c1ccccc1 ZINC000366200885 555779561 /nfs/dbraw/zinc/77/95/61/555779561.db2.gz KBLOUMPFFXGWJV-UWWQBHOKSA-N 1 1 352.394 2.365 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000514028384 561958353 /nfs/dbraw/zinc/95/83/53/561958353.db2.gz DLUOZTHJOYZYPP-GJZGRUSLSA-N 1 1 363.462 2.426 20 5 FEBDMO Cc1cc(OCC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366584794 555883165 /nfs/dbraw/zinc/88/31/65/555883165.db2.gz SYUGYPJNVBWWJN-QILLFSRXSA-N 1 1 359.426 2.225 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCO[C@@H]3CCCCO3)C2)nc1 ZINC000514082742 561959982 /nfs/dbraw/zinc/95/99/82/561959982.db2.gz JJHKVFXSVKODIZ-RHSMWYFYSA-N 1 1 350.419 2.409 20 5 FEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cccnn2)CC1 ZINC000366663384 555903011 /nfs/dbraw/zinc/90/30/11/555903011.db2.gz PHUIIWWJKIJLJS-QGZVFWFLSA-N 1 1 357.414 2.019 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000366806576 555938917 /nfs/dbraw/zinc/93/89/17/555938917.db2.gz WTWMRCDDXGCMDW-QGZVFWFLSA-N 1 1 371.441 2.304 20 5 FEBDMO CNC(=O)CN1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000367422766 556044406 /nfs/dbraw/zinc/04/44/06/556044406.db2.gz MZAZXBYEJZDDHG-UHFFFAOYSA-N 1 1 372.425 2.109 20 5 FEBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000368368996 556289656 /nfs/dbraw/zinc/28/96/56/556289656.db2.gz GJPYICXUZZMAAF-BBRMVZONSA-N 1 1 370.409 2.397 20 5 FEBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])cc1F ZINC000368395862 556296038 /nfs/dbraw/zinc/29/60/38/556296038.db2.gz WUCWUEZSBWRIGE-BXUZGUMPSA-N 1 1 351.378 2.233 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCc2c[nH+]c3n2CCCC3)s1 ZINC000368550662 556342583 /nfs/dbraw/zinc/34/25/83/556342583.db2.gz JHLYJICNFUWTAN-UHFFFAOYSA-N 1 1 356.429 2.205 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@@H]2Cc2c[nH]c3ccccc23)n1 ZINC000369192328 556531677 /nfs/dbraw/zinc/53/16/77/556531677.db2.gz FPTIHOXYHVRZIM-HNNXBMFYSA-N 1 1 355.398 2.216 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@@H]2Cc2c[nH]c3ccccc23)n1 ZINC000369192328 556531679 /nfs/dbraw/zinc/53/16/79/556531679.db2.gz FPTIHOXYHVRZIM-HNNXBMFYSA-N 1 1 355.398 2.216 20 5 FEBDMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000369224446 556540309 /nfs/dbraw/zinc/54/03/09/556540309.db2.gz FTMJSZCMZXVKLT-MRXNPFEDSA-N 1 1 372.429 2.215 20 5 FEBDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000369224446 556540313 /nfs/dbraw/zinc/54/03/13/556540313.db2.gz FTMJSZCMZXVKLT-MRXNPFEDSA-N 1 1 372.429 2.215 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)c2c(c1)COCO2 ZINC000369276371 556561133 /nfs/dbraw/zinc/56/11/33/556561133.db2.gz AMQBKVUSDQIDKQ-OAHLLOKOSA-N 1 1 359.386 2.108 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@@H]2Cn2ccnn2)c2c(c1)COCO2 ZINC000369276371 556561135 /nfs/dbraw/zinc/56/11/35/556561135.db2.gz AMQBKVUSDQIDKQ-OAHLLOKOSA-N 1 1 359.386 2.108 20 5 FEBDMO Cc1cc(C(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000369310133 556571184 /nfs/dbraw/zinc/57/11/84/556571184.db2.gz LNGYVWBLRDBWJG-INIZCTEOSA-N 1 1 360.458 2.003 20 5 FEBDMO Cn1ccnc1[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000369354447 556577587 /nfs/dbraw/zinc/57/75/87/556577587.db2.gz RTYKKLYEJXMUJV-NSHDSACASA-N 1 1 354.370 2.224 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359132 556579419 /nfs/dbraw/zinc/57/94/19/556579419.db2.gz PCIAQJWHULKICT-KWCYVHTRSA-N 1 1 353.444 2.276 20 5 FEBDMO O=C(CC[N@H+]1CCc2cc[nH]c(=O)c2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000369610901 556647531 /nfs/dbraw/zinc/64/75/31/556647531.db2.gz FKSYOZSYNFJLJV-UHFFFAOYSA-N 1 1 360.345 2.221 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000516281814 562038626 /nfs/dbraw/zinc/03/86/26/562038626.db2.gz BESDQJXTZIZKSY-ZDUSSCGKSA-N 1 1 355.460 2.167 20 5 FEBDMO Cc1ccsc1CNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369692909 556670284 /nfs/dbraw/zinc/67/02/84/556670284.db2.gz PCWZGXLUKZFTFQ-UHFFFAOYSA-N 1 1 363.443 2.115 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369795612 556697521 /nfs/dbraw/zinc/69/75/21/556697521.db2.gz TVSZFPCLUYRBSU-JZXOWHBKSA-N 1 1 358.442 2.263 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@H]2C)c1[N+](=O)[O-] ZINC000369994124 556751708 /nfs/dbraw/zinc/75/17/08/556751708.db2.gz GBHPXDPDXQJTOH-CQSZACIVSA-N 1 1 371.441 2.373 20 5 FEBDMO CC[NH+]1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000516827473 562059485 /nfs/dbraw/zinc/05/94/85/562059485.db2.gz QFBQJEIMOJRAAW-UHFFFAOYSA-N 1 1 353.444 2.001 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000516895120 562063099 /nfs/dbraw/zinc/06/30/99/562063099.db2.gz INGIBAVQVCZMGH-KBPBESRZSA-N 1 1 365.430 2.415 20 5 FEBDMO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000370904077 557009596 /nfs/dbraw/zinc/00/95/96/557009596.db2.gz HITNXGTWHUTWOT-GUYCJALGSA-N 1 1 357.414 2.141 20 5 FEBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)N1CCc2sccc2C1 ZINC000517707337 562095868 /nfs/dbraw/zinc/09/58/68/562095868.db2.gz BHTNRCXEDITIRW-UHFFFAOYSA-N 1 1 372.450 2.384 20 5 FEBDMO COC(=O)c1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000518046741 562103274 /nfs/dbraw/zinc/10/32/74/562103274.db2.gz RJTSBVAALKLLBX-AWEZNQCLSA-N 1 1 361.398 2.128 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000518648308 562115997 /nfs/dbraw/zinc/11/59/97/562115997.db2.gz ZNSRPJUAEWRBBE-AWEZNQCLSA-N 1 1 365.430 2.145 20 5 FEBDMO O=C(C[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1)N1CCCC1 ZINC000372130788 557388032 /nfs/dbraw/zinc/38/80/32/557388032.db2.gz AXWSCGILBYZXLK-UHFFFAOYSA-N 1 1 368.384 2.372 20 5 FEBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000372742535 557552010 /nfs/dbraw/zinc/55/20/10/557552010.db2.gz QAOMHQZKSJXPLV-CYBMUJFWSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000372742535 557552011 /nfs/dbraw/zinc/55/20/11/557552011.db2.gz QAOMHQZKSJXPLV-CYBMUJFWSA-N 1 1 365.411 2.108 20 5 FEBDMO CC(C)NC(=O)C[N@@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000373697374 557741060 /nfs/dbraw/zinc/74/10/60/557741060.db2.gz QCFORZVAVBUNAA-UHFFFAOYSA-N 1 1 371.441 2.180 20 5 FEBDMO CC(C)NC(=O)C[N@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000373697374 557741062 /nfs/dbraw/zinc/74/10/62/557741062.db2.gz QCFORZVAVBUNAA-UHFFFAOYSA-N 1 1 371.441 2.180 20 5 FEBDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000520463444 562157052 /nfs/dbraw/zinc/15/70/52/562157052.db2.gz LHJZTWMKTNLZBD-KRWDZBQOSA-N 1 1 374.441 2.373 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374055966 557814807 /nfs/dbraw/zinc/81/48/07/557814807.db2.gz WVGBKTREZPXABU-CYBMUJFWSA-N 1 1 358.402 2.230 20 5 FEBDMO C[N@H+](C[C@@H]1CC12CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000374299582 557861351 /nfs/dbraw/zinc/86/13/51/557861351.db2.gz YKFJVVOTWSTEIV-INIZCTEOSA-N 1 1 372.469 2.390 20 5 FEBDMO C[N@@H+](C[C@@H]1CC12CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000374299582 557861355 /nfs/dbraw/zinc/86/13/55/557861355.db2.gz YKFJVVOTWSTEIV-INIZCTEOSA-N 1 1 372.469 2.390 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000374390849 557877476 /nfs/dbraw/zinc/87/74/76/557877476.db2.gz WLKPDAIFNLXYAX-GOSISDBHSA-N 1 1 361.442 2.410 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C(=O)NCC1CCOCC1 ZINC000374390849 557877478 /nfs/dbraw/zinc/87/74/78/557877478.db2.gz WLKPDAIFNLXYAX-GOSISDBHSA-N 1 1 361.442 2.410 20 5 FEBDMO Cc1[nH]nc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000521144323 562170306 /nfs/dbraw/zinc/17/03/06/562170306.db2.gz DXWIWLDLOVOCJF-GFCCVEGCSA-N 1 1 359.386 2.272 20 5 FEBDMO CSc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000375331672 558010370 /nfs/dbraw/zinc/01/03/70/558010370.db2.gz IXMLKWCRQURBFO-STQMWFEESA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1cccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000375331672 558010372 /nfs/dbraw/zinc/01/03/72/558010372.db2.gz IXMLKWCRQURBFO-STQMWFEESA-N 1 1 365.455 2.300 20 5 FEBDMO Cc1n[nH]cc1C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000375349949 558013637 /nfs/dbraw/zinc/01/36/37/558013637.db2.gz RHLPFGBDLQSCIW-UHFFFAOYSA-N 1 1 357.414 2.469 20 5 FEBDMO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375351622 558013833 /nfs/dbraw/zinc/01/38/33/558013833.db2.gz DNFRBWJRJAJOND-JMPLFQLZSA-N 1 1 371.397 2.353 20 5 FEBDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000375390556 558019513 /nfs/dbraw/zinc/01/95/13/558019513.db2.gz JBDVGLMJJVDKEM-NSHDSACASA-N 1 1 350.400 2.477 20 5 FEBDMO COC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000375390556 558019515 /nfs/dbraw/zinc/01/95/15/558019515.db2.gz JBDVGLMJJVDKEM-NSHDSACASA-N 1 1 350.400 2.477 20 5 FEBDMO CC(C)c1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000375533102 558044224 /nfs/dbraw/zinc/04/42/24/558044224.db2.gz BWNWADOEHJKFBM-FUHWJXTLSA-N 1 1 361.442 2.389 20 5 FEBDMO O=C1[C@@H]([NH+]2CCC(c3cn[nH]c3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375791375 558080217 /nfs/dbraw/zinc/08/02/17/558080217.db2.gz KECRUNAHMGGQCB-KRWDZBQOSA-N 1 1 355.398 2.303 20 5 FEBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000375914631 558099054 /nfs/dbraw/zinc/09/90/54/558099054.db2.gz RZUIYFHGYNYASZ-GFCCVEGCSA-N 1 1 358.192 2.017 20 5 FEBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000375914631 558099055 /nfs/dbraw/zinc/09/90/55/558099055.db2.gz RZUIYFHGYNYASZ-GFCCVEGCSA-N 1 1 358.192 2.017 20 5 FEBDMO O=c1[nH]c(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376218957 558143335 /nfs/dbraw/zinc/14/33/35/558143335.db2.gz LWGVMNAJYQIDPT-PJODQICGSA-N 1 1 355.398 2.164 20 5 FEBDMO Cc1cccc(CNC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000376478361 558178504 /nfs/dbraw/zinc/17/85/04/558178504.db2.gz OJEAXLOXCHFJNU-UHFFFAOYSA-N 1 1 357.414 2.053 20 5 FEBDMO CC(=O)NCC[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000521988382 562188249 /nfs/dbraw/zinc/18/82/49/562188249.db2.gz JCSUETVFTKNLHB-OAHLLOKOSA-N 1 1 362.430 2.080 20 5 FEBDMO CC(=O)NCC[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000521988382 562188250 /nfs/dbraw/zinc/18/82/50/562188250.db2.gz JCSUETVFTKNLHB-OAHLLOKOSA-N 1 1 362.430 2.080 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377660403 558389465 /nfs/dbraw/zinc/38/94/65/558389465.db2.gz WNXAIGNQIBQZIE-SCLBCKFNSA-N 1 1 365.430 2.271 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377660403 558389468 /nfs/dbraw/zinc/38/94/68/558389468.db2.gz WNXAIGNQIBQZIE-SCLBCKFNSA-N 1 1 365.430 2.271 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCS(=O)(=O)C3)cs2)c1 ZINC000522891681 562205539 /nfs/dbraw/zinc/20/55/39/562205539.db2.gz VJCNAGRBWLZZFL-LBPRGKRZSA-N 1 1 367.452 2.385 20 5 FEBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000378365280 558539717 /nfs/dbraw/zinc/53/97/17/558539717.db2.gz IZIKZZBWMOVBEU-UMVBOHGHSA-N 1 1 351.451 2.192 20 5 FEBDMO COC(=O)[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1(C)C ZINC000378367655 558540925 /nfs/dbraw/zinc/54/09/25/558540925.db2.gz FNQDWPWXNXGRPH-GFCCVEGCSA-N 1 1 352.387 2.243 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1(C)C ZINC000378367655 558540926 /nfs/dbraw/zinc/54/09/26/558540926.db2.gz FNQDWPWXNXGRPH-GFCCVEGCSA-N 1 1 352.387 2.243 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000381568373 558603688 /nfs/dbraw/zinc/60/36/88/558603688.db2.gz RBYINXDRNUUIGB-UHFFFAOYSA-N 1 1 356.382 2.099 20 5 FEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408067951 558643076 /nfs/dbraw/zinc/64/30/76/558643076.db2.gz GAOYLTUNQVPSRS-GJZGRUSLSA-N 1 1 360.458 2.362 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000411408932 558889337 /nfs/dbraw/zinc/88/93/37/558889337.db2.gz PATYWASSCDFIRV-ZIAGYGMSSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000411408932 558889339 /nfs/dbraw/zinc/88/93/39/558889339.db2.gz PATYWASSCDFIRV-ZIAGYGMSSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000411408931 558889507 /nfs/dbraw/zinc/88/95/07/558889507.db2.gz PATYWASSCDFIRV-UONOGXRCSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000411408931 558889508 /nfs/dbraw/zinc/88/95/08/558889508.db2.gz PATYWASSCDFIRV-UONOGXRCSA-N 1 1 362.430 2.091 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411533205 558912017 /nfs/dbraw/zinc/91/20/17/558912017.db2.gz AIKWTDZHSNTVRB-CQSZACIVSA-N 1 1 364.446 2.387 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411550588 558915392 /nfs/dbraw/zinc/91/53/92/558915392.db2.gz KLJRLGNZAUQWRW-CQSZACIVSA-N 1 1 364.446 2.387 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000411587334 558923806 /nfs/dbraw/zinc/92/38/06/558923806.db2.gz DNZWBHQFWMAZFN-AWEZNQCLSA-N 1 1 362.430 2.091 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000411621445 558930763 /nfs/dbraw/zinc/93/07/63/558930763.db2.gz QLZMQMPALAYTFV-WOSRLPQWSA-N 1 1 365.430 2.413 20 5 FEBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411776764 558960728 /nfs/dbraw/zinc/96/07/28/558960728.db2.gz XOHSFVWOSFBBEQ-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000411839980 558973908 /nfs/dbraw/zinc/97/39/08/558973908.db2.gz DVJLJQFTZCGFED-QGZVFWFLSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1F ZINC000412028569 559003870 /nfs/dbraw/zinc/00/38/70/559003870.db2.gz AWKBQRDJYFIGOG-LBPRGKRZSA-N 1 1 365.405 2.418 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412145561 559016782 /nfs/dbraw/zinc/01/67/82/559016782.db2.gz CYZHJRXHWZQKEB-ZDUSSCGKSA-N 1 1 367.421 2.475 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@@H+]2CC=C(C)CC2)c1F ZINC000412246133 559022473 /nfs/dbraw/zinc/02/24/73/559022473.db2.gz JGCYRJDEINAWHC-UHFFFAOYSA-N 1 1 351.378 2.053 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412340763 559028984 /nfs/dbraw/zinc/02/89/84/559028984.db2.gz DPWIUCSDCVPVNN-LBPRGKRZSA-N 1 1 353.394 2.276 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1F ZINC000412407678 559033690 /nfs/dbraw/zinc/03/36/90/559033690.db2.gz FKNYTQDBCPEJBU-LBPRGKRZSA-N 1 1 353.394 2.226 20 5 FEBDMO CC(C)c1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc(N(C)C)[nH+]1 ZINC000413325886 559098933 /nfs/dbraw/zinc/09/89/33/559098933.db2.gz GJDRGBZVEHSHGN-UHFFFAOYSA-N 1 1 371.445 2.296 20 5 FEBDMO COC(=O)[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+](C)C1 ZINC000413491719 559111791 /nfs/dbraw/zinc/11/17/91/559111791.db2.gz BOVZZWOKGZOKPG-JTQLQIEISA-N 1 1 361.320 2.155 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414475365 559167252 /nfs/dbraw/zinc/16/72/52/559167252.db2.gz XIBXVKQGSLIXMO-NSHDSACASA-N 1 1 366.443 2.331 20 5 FEBDMO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414967319 559197693 /nfs/dbraw/zinc/19/76/93/559197693.db2.gz BAWADCPBZLRSIY-SFHVURJKSA-N 1 1 369.469 2.356 20 5 FEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417726656 559374205 /nfs/dbraw/zinc/37/42/05/559374205.db2.gz MYBMOZHMFFWDNC-KRWDZBQOSA-N 1 1 352.410 2.261 20 5 FEBDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420925184 559511582 /nfs/dbraw/zinc/51/15/82/559511582.db2.gz LDESIADTFBJDSY-KBPBESRZSA-N 1 1 365.430 2.199 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423958282 559647914 /nfs/dbraw/zinc/64/79/14/559647914.db2.gz QJHLHVSMOZVWMB-INIZCTEOSA-N 1 1 360.801 2.359 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425444440 559702456 /nfs/dbraw/zinc/70/24/56/559702456.db2.gz NRMQFJXJYWMLTN-CQSZACIVSA-N 1 1 356.220 2.315 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425444440 559702457 /nfs/dbraw/zinc/70/24/57/559702457.db2.gz NRMQFJXJYWMLTN-CQSZACIVSA-N 1 1 356.220 2.315 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCN(C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425471900 559704102 /nfs/dbraw/zinc/70/41/02/559704102.db2.gz HRWVNMASAPVVEY-QGZVFWFLSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc(NC(=O)CCN2CC[N@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425471900 559704103 /nfs/dbraw/zinc/70/41/03/559704103.db2.gz HRWVNMASAPVVEY-QGZVFWFLSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc(NC(=O)CCN2CC[N@@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425471900 559704104 /nfs/dbraw/zinc/70/41/04/559704104.db2.gz HRWVNMASAPVVEY-QGZVFWFLSA-N 1 1 364.446 2.204 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000427591742 559758492 /nfs/dbraw/zinc/75/84/92/559758492.db2.gz AISRHVOACRMVSS-DZGCQCFKSA-N 1 1 357.414 2.377 20 5 FEBDMO COCCCN(C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000427757300 559761712 /nfs/dbraw/zinc/76/17/12/559761712.db2.gz JXKCIYDNYJMDCD-UHFFFAOYSA-N 1 1 367.450 2.014 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427779875 559762353 /nfs/dbraw/zinc/76/23/53/559762353.db2.gz IEHXAWDFNBFHCX-UTUOFQBUSA-N 1 1 353.806 2.036 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000427908124 559765211 /nfs/dbraw/zinc/76/52/11/559765211.db2.gz YCSVNKYKYGJJBX-AWEZNQCLSA-N 1 1 372.425 2.370 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000427984052 559767003 /nfs/dbraw/zinc/76/70/03/559767003.db2.gz NRGVUUFBFNQIDU-UHFFFAOYSA-N 1 1 359.386 2.196 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)c1 ZINC000428697875 559781434 /nfs/dbraw/zinc/78/14/34/559781434.db2.gz BGYWEHDMOJZUJO-UHFFFAOYSA-N 1 1 368.455 2.264 20 5 FEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988667 559787606 /nfs/dbraw/zinc/78/76/06/559787606.db2.gz AKLUWSOZYNPPCB-SPYBWZPUSA-N 1 1 372.469 2.146 20 5 FEBDMO C[N@H+](CCCNC(=O)C1CCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000429555163 559801235 /nfs/dbraw/zinc/80/12/35/559801235.db2.gz VNKKQQMGTZDOKA-UHFFFAOYSA-N 1 1 373.413 2.383 20 5 FEBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000429555163 559801236 /nfs/dbraw/zinc/80/12/36/559801236.db2.gz VNKKQQMGTZDOKA-UHFFFAOYSA-N 1 1 373.413 2.383 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429769271 559805161 /nfs/dbraw/zinc/80/51/61/559805161.db2.gz CAEQJJGJCGLZQZ-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO Cn1cc(C[NH+]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])CC2)cn1 ZINC000432321744 559856199 /nfs/dbraw/zinc/85/61/99/559856199.db2.gz WFUPRXXIFPLQJI-UHFFFAOYSA-N 1 1 352.398 2.199 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433193608 559873145 /nfs/dbraw/zinc/87/31/45/559873145.db2.gz RKZNZSUSUMBSCV-HOTGVXAUSA-N 1 1 370.471 2.179 20 5 FEBDMO O=C(C[N@@H+](CCO)[C@H]1CCCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439000825 559986877 /nfs/dbraw/zinc/98/68/77/559986877.db2.gz NZRYQFYIHHZVDK-LBPRGKRZSA-N 1 1 373.862 2.377 20 5 FEBDMO O=C(C[N@H+](CCO)[C@H]1CCCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439000825 559986878 /nfs/dbraw/zinc/98/68/78/559986878.db2.gz NZRYQFYIHHZVDK-LBPRGKRZSA-N 1 1 373.862 2.377 20 5 FEBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000439464438 559994550 /nfs/dbraw/zinc/99/45/50/559994550.db2.gz CZOALWMRQPJPTE-SFHVURJKSA-N 1 1 366.414 2.265 20 5 FEBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440593251 560014640 /nfs/dbraw/zinc/01/46/40/560014640.db2.gz DTDUJQUSNUJYGE-CQSZACIVSA-N 1 1 356.373 2.228 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000443969375 560097709 /nfs/dbraw/zinc/09/77/09/560097709.db2.gz PFFJUALACJAEGG-UHFFFAOYSA-N 1 1 355.460 2.304 20 5 FEBDMO COc1cc(OCC(=O)NCC[N@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000444617668 560116909 /nfs/dbraw/zinc/11/69/09/560116909.db2.gz RFYRVORNZWEBQE-UHFFFAOYSA-N 1 1 365.430 2.220 20 5 FEBDMO CC[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000444858419 560122684 /nfs/dbraw/zinc/12/26/84/560122684.db2.gz MQYLQZLLACSCER-INIZCTEOSA-N 1 1 370.409 2.262 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000446080624 560139523 /nfs/dbraw/zinc/13/95/23/560139523.db2.gz MPLLXUJVDQTVOR-AVGNSLFASA-N 1 1 351.403 2.430 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000447942686 560174087 /nfs/dbraw/zinc/17/40/87/560174087.db2.gz VFCHRNDNXYMKSL-HNNXBMFYSA-N 1 1 355.460 2.135 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448709897 560195644 /nfs/dbraw/zinc/19/56/44/560195644.db2.gz RVECXYBLSINJSB-WMLDXEAASA-N 1 1 355.398 2.342 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000449505745 560232384 /nfs/dbraw/zinc/23/23/84/560232384.db2.gz XNNMMAVSUYBTSX-INIZCTEOSA-N 1 1 366.414 2.394 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[N@H+]1C1CC1 ZINC000450137428 560251792 /nfs/dbraw/zinc/25/17/92/560251792.db2.gz RYHQRFBMQIURQV-DGCLKSJQSA-N 1 1 355.398 2.340 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450234064 560255052 /nfs/dbraw/zinc/25/50/52/560255052.db2.gz PPNHAQPLXRFWRO-HOTGVXAUSA-N 1 1 369.425 2.337 20 5 FEBDMO Cc1nc(N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ncc1[N+](=O)[O-] ZINC000450371277 560260405 /nfs/dbraw/zinc/26/04/05/560260405.db2.gz GBQMPDWMZMVSQK-OKILXGFUSA-N 1 1 363.462 2.409 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000450487595 560263795 /nfs/dbraw/zinc/26/37/95/560263795.db2.gz NIQZQRAXIOAGAH-AWEZNQCLSA-N 1 1 374.441 2.486 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+]1C ZINC000451159772 560290614 /nfs/dbraw/zinc/29/06/14/560290614.db2.gz BUPWGGNIRKZMSY-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451560101 560314735 /nfs/dbraw/zinc/31/47/35/560314735.db2.gz HVENEAWWTMUBRK-BLLLJJGKSA-N 1 1 351.403 2.289 20 5 FEBDMO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@@H](C)O1 ZINC000451563693 560315022 /nfs/dbraw/zinc/31/50/22/560315022.db2.gz KBFMWLQOGYNFFQ-BFYDXBDKSA-N 1 1 361.442 2.410 20 5 FEBDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@@H](C)O1 ZINC000451563693 560315023 /nfs/dbraw/zinc/31/50/23/560315023.db2.gz KBFMWLQOGYNFFQ-BFYDXBDKSA-N 1 1 361.442 2.410 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451698857 560322830 /nfs/dbraw/zinc/32/28/30/560322830.db2.gz TVVUFOLIJUCYLM-VNHYZAJKSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451698857 560322831 /nfs/dbraw/zinc/32/28/31/560322831.db2.gz TVVUFOLIJUCYLM-VNHYZAJKSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451700963 560323036 /nfs/dbraw/zinc/32/30/36/560323036.db2.gz YZTLGRPMIIZWHH-KFWWJZLASA-N 1 1 350.415 2.465 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890526 560335005 /nfs/dbraw/zinc/33/50/05/560335005.db2.gz NIYZVFBKHMZVGZ-YGRLFVJLSA-N 1 1 361.320 2.169 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451897867 560335648 /nfs/dbraw/zinc/33/56/48/560335648.db2.gz ILFHNJWGCIWENH-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451897867 560335649 /nfs/dbraw/zinc/33/56/49/560335649.db2.gz ILFHNJWGCIWENH-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO COC[C@@]1(CO)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000451934165 560339033 /nfs/dbraw/zinc/33/90/33/560339033.db2.gz QYXFFGHETVYFBW-SFHVURJKSA-N 1 1 361.398 2.123 20 5 FEBDMO CCOc1cc(C[NH2+]C(C)(C)CN2CCN(CC)CC2)ccc1[N+](=O)[O-] ZINC000451985583 560342495 /nfs/dbraw/zinc/34/24/95/560342495.db2.gz MNQXPLJKZPOXOC-UHFFFAOYSA-N 1 1 364.490 2.499 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000452103590 560351399 /nfs/dbraw/zinc/35/13/99/560351399.db2.gz KXDJIXUYNAQMDX-GFCCVEGCSA-N 1 1 361.851 2.351 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000455477282 560483771 /nfs/dbraw/zinc/48/37/71/560483771.db2.gz YQALUBAPAWHSFI-UHFFFAOYSA-N 1 1 351.451 2.162 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCCN(C)CC[NH+](C)C ZINC000455477282 560483772 /nfs/dbraw/zinc/48/37/72/560483772.db2.gz YQALUBAPAWHSFI-UHFFFAOYSA-N 1 1 351.451 2.162 20 5 FEBDMO COC(=O)c1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000457004752 560543424 /nfs/dbraw/zinc/54/34/24/560543424.db2.gz YOERONZQCZVSAE-QGZVFWFLSA-N 1 1 369.377 2.168 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000457105486 560548994 /nfs/dbraw/zinc/54/89/94/560548994.db2.gz CMOXRAQIPQONPP-OAHLLOKOSA-N 1 1 357.414 2.335 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458698995 560641666 /nfs/dbraw/zinc/64/16/66/560641666.db2.gz BDBGNUFUVBOURD-GFCCVEGCSA-N 1 1 360.418 2.097 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459655425 560700456 /nfs/dbraw/zinc/70/04/56/560700456.db2.gz DEOTVGPDJFVPPO-GOEBONIOSA-N 1 1 373.409 2.394 20 5 FEBDMO Cc1cc(Sc2nnnn2C[C@H]2CC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946636 560789089 /nfs/dbraw/zinc/78/90/89/560789089.db2.gz NETHOPOUFKAYKT-JTQLQIEISA-N 1 1 352.395 2.132 20 5 FEBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000465357559 560863877 /nfs/dbraw/zinc/86/38/77/560863877.db2.gz SKADNURMYKEAEV-UHFFFAOYSA-N 1 1 372.381 2.112 20 5 FEBDMO CCOc1cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020996 560901668 /nfs/dbraw/zinc/90/16/68/560901668.db2.gz DAIHEBCVCZFTDS-RISCZKNCSA-N 1 1 363.414 2.215 20 5 FEBDMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467669404 560914575 /nfs/dbraw/zinc/91/45/75/560914575.db2.gz WUGOVCDDEUTJCA-IBGZPJMESA-N 1 1 373.384 2.101 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c(C)c1[N+](=O)[O-] ZINC000468459029 560930441 /nfs/dbraw/zinc/93/04/41/560930441.db2.gz NFGFTCWMBHCRNM-CQSZACIVSA-N 1 1 351.451 2.035 20 5 FEBDMO COc1cc(OCC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000468472660 560930764 /nfs/dbraw/zinc/93/07/64/560930764.db2.gz MHYVGJCBUINUMR-MRXNPFEDSA-N 1 1 365.430 2.219 20 5 FEBDMO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@@H+](C)Cc1ccccc1 ZINC000472602969 561030747 /nfs/dbraw/zinc/03/07/47/561030747.db2.gz WNLAJPVPMJZJNH-ZDUSSCGKSA-N 1 1 358.398 2.336 20 5 FEBDMO COC(=O)COc1ccc(CNc2[nH+]c(C)ccc2OC)cc1[N+](=O)[O-] ZINC000473480097 561050795 /nfs/dbraw/zinc/05/07/95/561050795.db2.gz JWDCKFJMLMVIPS-UHFFFAOYSA-N 1 1 361.354 2.471 20 5 FEBDMO COC(=O)COc1ccc(CNCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474345580 561071893 /nfs/dbraw/zinc/07/18/93/561071893.db2.gz OAILGMFJQNWTAM-AWEZNQCLSA-N 1 1 365.430 2.111 20 5 FEBDMO COC(=O)COc1ccc(CNCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000474345580 561071894 /nfs/dbraw/zinc/07/18/94/561071894.db2.gz OAILGMFJQNWTAM-AWEZNQCLSA-N 1 1 365.430 2.111 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1[N+](=O)[O-] ZINC000475106085 561090734 /nfs/dbraw/zinc/09/07/34/561090734.db2.gz HHZOKOUQSUOQDQ-UHFFFAOYSA-N 1 1 359.382 2.216 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000477016469 561134260 /nfs/dbraw/zinc/13/42/60/561134260.db2.gz KYYOTAUGWZIHDE-UHFFFAOYSA-N 1 1 368.397 2.208 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000532569286 562481775 /nfs/dbraw/zinc/48/17/75/562481775.db2.gz OMWYTYFFVJBAME-CQSZACIVSA-N 1 1 357.414 2.140 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000532569286 562481776 /nfs/dbraw/zinc/48/17/76/562481776.db2.gz OMWYTYFFVJBAME-CQSZACIVSA-N 1 1 357.414 2.140 20 5 FEBDMO CC(C)[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000534731273 562541448 /nfs/dbraw/zinc/54/14/48/562541448.db2.gz JPRKUDIAICWXPH-RVKKMQEKSA-N 1 1 363.458 2.387 20 5 FEBDMO CC(C)[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000534731273 562541449 /nfs/dbraw/zinc/54/14/49/562541449.db2.gz JPRKUDIAICWXPH-RVKKMQEKSA-N 1 1 363.458 2.387 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541942169 562624004 /nfs/dbraw/zinc/62/40/04/562624004.db2.gz SPXNOGUPCWLRBW-JTQLQIEISA-N 1 1 355.341 2.410 20 5 FEBDMO Cc1[nH+]cc2n1C[C@H](C(=O)N1CCOc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC000568097609 567880517 /nfs/dbraw/zinc/88/05/17/567880517.db2.gz GCGFQSFFKHXQHP-CYBMUJFWSA-N 1 1 356.382 2.083 20 5 FEBDMO C[C@@H]1CCC[C@](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000570546472 568486537 /nfs/dbraw/zinc/48/65/37/568486537.db2.gz JARMFIBLEZYKCV-GJYPPUQNSA-N 1 1 365.474 2.435 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000826052653 607935641 /nfs/dbraw/zinc/93/56/41/607935641.db2.gz RKMMWHWJKYIHAQ-INIZCTEOSA-N 1 1 351.370 2.374 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2COCc3ccccc32)cc1 ZINC000559904620 674559761 /nfs/dbraw/zinc/55/97/61/674559761.db2.gz SPGJPNRGGBCSFY-KRWDZBQOSA-N 1 1 362.407 2.230 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000811812231 674630058 /nfs/dbraw/zinc/63/00/58/674630058.db2.gz PAXSTDTUCXAJPC-BXKDBHETSA-N 1 1 350.375 2.341 20 5 FEBDMO CC[C@@H](C)[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000561947914 674709688 /nfs/dbraw/zinc/70/96/88/674709688.db2.gz JFMKBUWHRRLEHQ-SNVBAGLBSA-N 1 1 374.235 2.389 20 5 FEBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815014706 674896352 /nfs/dbraw/zinc/89/63/52/674896352.db2.gz YSFFDWQDWREGOE-SECBINFHSA-N 1 1 365.814 2.007 20 5 FEBDMO C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101572012 670768395 /nfs/dbraw/zinc/76/83/95/670768395.db2.gz HCQZOYDKUCWWOE-NSHDSACASA-N 1 1 361.851 2.401 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101572012 670768396 /nfs/dbraw/zinc/76/83/96/670768396.db2.gz HCQZOYDKUCWWOE-NSHDSACASA-N 1 1 361.851 2.401 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000571490301 670880960 /nfs/dbraw/zinc/88/09/60/670880960.db2.gz VBCREMAJSQTNQU-GFCCVEGCSA-N 1 1 358.464 2.035 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000578101487 671640296 /nfs/dbraw/zinc/64/02/96/671640296.db2.gz JYVORSVHQMIUOZ-LBPRGKRZSA-N 1 1 359.448 2.002 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)n1 ZINC000578435168 671664954 /nfs/dbraw/zinc/66/49/54/671664954.db2.gz XHUYLMGGVZILRU-CYBMUJFWSA-N 1 1 363.805 2.251 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000610134988 675956206 /nfs/dbraw/zinc/95/62/06/675956206.db2.gz ICEHETOULDFPGK-ZIAGYGMSSA-N 1 1 355.460 2.397 20 5 FEBDMO CN(C)CC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000582177465 671975998 /nfs/dbraw/zinc/97/59/98/671975998.db2.gz ZQQWGEBFLUFEMG-INIZCTEOSA-N 1 1 351.447 2.046 20 5 FEBDMO C[NH+](C)CC1(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000582177465 671976000 /nfs/dbraw/zinc/97/60/00/671976000.db2.gz ZQQWGEBFLUFEMG-INIZCTEOSA-N 1 1 351.447 2.046 20 5 FEBDMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153962219 672207947 /nfs/dbraw/zinc/20/79/47/672207947.db2.gz RGFSZWXLNFSWAD-OAHLLOKOSA-N 1 1 350.375 2.224 20 5 FEBDMO Cc1c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153962219 672207952 /nfs/dbraw/zinc/20/79/52/672207952.db2.gz RGFSZWXLNFSWAD-OAHLLOKOSA-N 1 1 350.375 2.224 20 5 FEBDMO CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000178882762 672396501 /nfs/dbraw/zinc/39/65/01/672396501.db2.gz YXUQNVNKIJERJV-GFCCVEGCSA-N 1 1 351.407 2.001 20 5 FEBDMO CC(C)(C)OC(=O)NCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000178882762 672396504 /nfs/dbraw/zinc/39/65/04/672396504.db2.gz YXUQNVNKIJERJV-GFCCVEGCSA-N 1 1 351.407 2.001 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000611205176 676024838 /nfs/dbraw/zinc/02/48/38/676024838.db2.gz LECINOVIYUEPMP-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO COc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cc([N+](=O)[O-])c1C ZINC000590539730 672588041 /nfs/dbraw/zinc/58/80/41/672588041.db2.gz ZRPUKSWZQXDMCX-KGLIPLIRSA-N 1 1 351.378 2.170 20 5 FEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611513840 676041908 /nfs/dbraw/zinc/04/19/08/676041908.db2.gz MXOWODYPZLWHJG-LLVKDONJSA-N 1 1 355.341 2.410 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592196679 672770169 /nfs/dbraw/zinc/77/01/69/672770169.db2.gz XBFJGHXBYMHLNV-CABCVRRESA-N 1 1 350.415 2.368 20 5 FEBDMO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000612051363 676066232 /nfs/dbraw/zinc/06/62/32/676066232.db2.gz NBJHNZZDSNJFDR-MFKMUULPSA-N 1 1 373.862 2.176 20 5 FEBDMO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000612051363 676066234 /nfs/dbraw/zinc/06/62/34/676066234.db2.gz NBJHNZZDSNJFDR-MFKMUULPSA-N 1 1 373.862 2.176 20 5 FEBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187992 672888327 /nfs/dbraw/zinc/88/83/27/672888327.db2.gz SMBCXZWSPBVEAX-WOPDTQHZSA-N 1 1 351.403 2.165 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594483457 673087082 /nfs/dbraw/zinc/08/70/82/673087082.db2.gz KVGLFKPXVKGNAN-SJORKVTESA-N 1 1 367.471 2.074 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594483455 673087100 /nfs/dbraw/zinc/08/71/00/673087100.db2.gz KVGLFKPXVKGNAN-IAGOWNOFSA-N 1 1 367.471 2.074 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749793 673128442 /nfs/dbraw/zinc/12/84/42/673128442.db2.gz ZEUBMYLUUAEBLO-OKILXGFUSA-N 1 1 370.475 2.026 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000594788900 673142565 /nfs/dbraw/zinc/14/25/65/673142565.db2.gz HZTHZXXJOPIKHA-AWEZNQCLSA-N 1 1 355.460 2.308 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000594788900 673142567 /nfs/dbraw/zinc/14/25/67/673142567.db2.gz HZTHZXXJOPIKHA-AWEZNQCLSA-N 1 1 355.460 2.308 20 5 FEBDMO Cc1noc(C[NH2+]C2(CC(=O)OC(C)(C)C)CCOCC2)c1[N+](=O)[O-] ZINC000595549612 673264763 /nfs/dbraw/zinc/26/47/63/673264763.db2.gz JOLIKBSSTRGYNJ-UHFFFAOYSA-N 1 1 355.391 2.262 20 5 FEBDMO C[C@H]1COC2(CCCC2)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595815282 673327445 /nfs/dbraw/zinc/32/74/45/673327445.db2.gz NQMPUXLVODJJIN-LSDHHAIUSA-N 1 1 350.415 2.368 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595829314 673328709 /nfs/dbraw/zinc/32/87/09/673328709.db2.gz PDVWLYWQUSHAPD-CYBMUJFWSA-N 1 1 372.208 2.387 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC[N@H+]1CC ZINC000596049234 673353923 /nfs/dbraw/zinc/35/39/23/673353923.db2.gz HIISYSKGPGQUDH-AWEZNQCLSA-N 1 1 370.475 2.179 20 5 FEBDMO CCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596290385 673374741 /nfs/dbraw/zinc/37/47/41/673374741.db2.gz YHKQAGFQSVCJOO-OAHLLOKOSA-N 1 1 350.419 2.099 20 5 FEBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 ZINC000539370603 673486049 /nfs/dbraw/zinc/48/60/49/673486049.db2.gz ORVSJNGDKPNVFK-JPQMIFPKSA-N 1 1 361.423 2.282 20 5 FEBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000541738538 673555595 /nfs/dbraw/zinc/55/55/95/673555595.db2.gz LXWRIOLFCVYGJV-NSHDSACASA-N 1 1 353.375 2.253 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000598604913 673588898 /nfs/dbraw/zinc/58/88/98/673588898.db2.gz CLBVNWATCSWIBN-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608642 673589796 /nfs/dbraw/zinc/58/97/96/673589796.db2.gz OIFCJYBLUPXLJZ-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598613925 673590760 /nfs/dbraw/zinc/59/07/60/673590760.db2.gz ZVTCWBCAYFIKEG-GXTWGEPZSA-N 1 1 355.460 2.315 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000598888148 673618812 /nfs/dbraw/zinc/61/88/12/673618812.db2.gz IFJDMQWHRXVMKB-UHFFFAOYSA-N 1 1 353.419 2.462 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599464725 673678707 /nfs/dbraw/zinc/67/87/07/673678707.db2.gz RFAVBFPUUUSYBL-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146635 673694281 /nfs/dbraw/zinc/69/42/81/673694281.db2.gz TZRAOYMDCVNBJM-OWCLPIDISA-N 1 1 351.447 2.139 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146635 673694283 /nfs/dbraw/zinc/69/42/83/673694283.db2.gz TZRAOYMDCVNBJM-OWCLPIDISA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146635 673694286 /nfs/dbraw/zinc/69/42/86/673694286.db2.gz TZRAOYMDCVNBJM-OWCLPIDISA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146635 673694289 /nfs/dbraw/zinc/69/42/89/673694289.db2.gz TZRAOYMDCVNBJM-OWCLPIDISA-N 1 1 351.447 2.139 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])c1 ZINC000743845733 673773612 /nfs/dbraw/zinc/77/36/12/673773612.db2.gz KFXYMZAATLLFPV-ZDUSSCGKSA-N 1 1 352.387 2.067 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])c1 ZINC000743845732 673773749 /nfs/dbraw/zinc/77/37/49/673773749.db2.gz KFXYMZAATLLFPV-CYBMUJFWSA-N 1 1 352.387 2.067 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C ZINC000601355284 673847230 /nfs/dbraw/zinc/84/72/30/673847230.db2.gz NAXYKFYYEKCRKE-JQWIXIFHSA-N 1 1 361.489 2.458 20 5 FEBDMO Cn1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)c([N+](=O)[O-])n1 ZINC000602829396 673911784 /nfs/dbraw/zinc/91/17/84/673911784.db2.gz JCKONMJBJWDURM-CQSZACIVSA-N 1 1 369.219 2.088 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000821051335 675409535 /nfs/dbraw/zinc/40/95/35/675409535.db2.gz AODNBYNCSWHYKQ-CYBMUJFWSA-N 1 1 369.849 2.144 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC[N@H+](C)C(C)C ZINC000823314064 675544311 /nfs/dbraw/zinc/54/43/11/675544311.db2.gz FBILGHZHIWMWQU-UHFFFAOYSA-N 1 1 356.810 2.277 20 5 FEBDMO O=C(N1C[C@@H]2C[N@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]2C1)C(F)(F)F ZINC000824828526 675624068 /nfs/dbraw/zinc/62/40/68/675624068.db2.gz NWLYAHGAABPJAQ-MNOVXSKESA-N 1 1 363.361 2.499 20 5 FEBDMO O=C(N1C[C@@H]2C[N@@H+](Cc3csc([N+](=O)[O-])c3)CC[C@@H]2C1)C(F)(F)F ZINC000824828526 675624069 /nfs/dbraw/zinc/62/40/69/675624069.db2.gz NWLYAHGAABPJAQ-MNOVXSKESA-N 1 1 363.361 2.499 20 5 FEBDMO O=C(N1C[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1)C(F)(F)F ZINC000824829780 675624204 /nfs/dbraw/zinc/62/42/04/675624204.db2.gz RBCJUBBYELKWOU-CHWSQXEVSA-N 1 1 357.332 2.437 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000825756444 675667426 /nfs/dbraw/zinc/66/74/26/675667426.db2.gz STGNWFFEXOVPJF-GFCCVEGCSA-N 1 1 355.822 2.397 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1C ZINC000827574346 675766077 /nfs/dbraw/zinc/76/60/77/675766077.db2.gz YHOBKGBRFVSFTH-ZJUUUORDSA-N 1 1 371.235 2.307 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1C ZINC000827574346 675766078 /nfs/dbraw/zinc/76/60/78/675766078.db2.gz YHOBKGBRFVSFTH-ZJUUUORDSA-N 1 1 371.235 2.307 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000603640480 675800417 /nfs/dbraw/zinc/80/04/17/675800417.db2.gz ISYLGAQFYKQYQX-CHWSQXEVSA-N 1 1 371.459 2.145 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000764401593 680808004 /nfs/dbraw/zinc/80/80/04/680808004.db2.gz HTJHBJJAWAVPGW-GFCCVEGCSA-N 1 1 353.444 2.109 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000764401593 680808005 /nfs/dbraw/zinc/80/80/05/680808005.db2.gz HTJHBJJAWAVPGW-GFCCVEGCSA-N 1 1 353.444 2.109 20 5 FEBDMO Cc1nc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sc1C ZINC001029964662 680394385 /nfs/dbraw/zinc/39/43/85/680394385.db2.gz UINGTMVOHDVVEV-HUUCEWRRSA-N 1 1 366.487 2.096 20 5 FEBDMO Cc1nc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sc1C ZINC001029964662 680394389 /nfs/dbraw/zinc/39/43/89/680394389.db2.gz UINGTMVOHDVVEV-HUUCEWRRSA-N 1 1 366.487 2.096 20 5 FEBDMO Cc1nc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sc1C ZINC001029964662 680394393 /nfs/dbraw/zinc/39/43/93/680394393.db2.gz UINGTMVOHDVVEV-HUUCEWRRSA-N 1 1 366.487 2.096 20 5 FEBDMO C[N@@H+](Cc1ccc(Cl)s1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431452 680447791 /nfs/dbraw/zinc/44/77/91/680447791.db2.gz OYCNAUCHOJPYTB-CHWSQXEVSA-N 1 1 357.863 2.490 20 5 FEBDMO C[N@H+](Cc1ccc(Cl)s1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431452 680447792 /nfs/dbraw/zinc/44/77/92/680447792.db2.gz OYCNAUCHOJPYTB-CHWSQXEVSA-N 1 1 357.863 2.490 20 5 FEBDMO C[N@@H+](Cc1ccc(Cl)s1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431452 680447793 /nfs/dbraw/zinc/44/77/93/680447793.db2.gz OYCNAUCHOJPYTB-CHWSQXEVSA-N 1 1 357.863 2.490 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000759109473 680627630 /nfs/dbraw/zinc/62/76/30/680627630.db2.gz XMKQQIZVUWQYGA-WCQYABFASA-N 1 1 373.450 2.441 20 5 FEBDMO CC[N@H+](CCSC)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000842646637 680956891 /nfs/dbraw/zinc/95/68/91/680956891.db2.gz NQEPADGBQYZVFF-UHFFFAOYSA-N 1 1 352.416 2.006 20 5 FEBDMO CC[N@@H+](CCSC)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000842646637 680956894 /nfs/dbraw/zinc/95/68/94/680956894.db2.gz NQEPADGBQYZVFF-UHFFFAOYSA-N 1 1 352.416 2.006 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC001050516956 681049171 /nfs/dbraw/zinc/04/91/71/681049171.db2.gz KTJJHJNHLDSSAC-CHWSQXEVSA-N 1 1 369.874 2.491 20 5 FEBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000771396612 681054120 /nfs/dbraw/zinc/05/41/20/681054120.db2.gz NKCFKCWVFUSBFN-NWDGAFQWSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000771396612 681054122 /nfs/dbraw/zinc/05/41/22/681054122.db2.gz NKCFKCWVFUSBFN-NWDGAFQWSA-N 1 1 350.375 2.284 20 5 FEBDMO CC[N@@H+](C)C[C@@H](O)CN1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000846896270 681304454 /nfs/dbraw/zinc/30/44/54/681304454.db2.gz VULQUOVAKIZIPM-LLVKDONJSA-N 1 1 372.263 2.028 20 5 FEBDMO CC[N@@H+](C)C[C@@H](O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000846997558 681318383 /nfs/dbraw/zinc/31/83/83/681318383.db2.gz UOSIHLNMWBMXJO-ZANVPECISA-N 1 1 353.316 2.240 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 ZINC000933091015 681361670 /nfs/dbraw/zinc/36/16/70/681361670.db2.gz QRGGLHGNJIVYPO-UHFFFAOYSA-N 1 1 367.471 2.375 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583259 681410621 /nfs/dbraw/zinc/41/06/21/681410621.db2.gz ZJYUNZUHAOIHBW-HIFRSBDPSA-N 1 1 351.403 2.227 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583259 681410625 /nfs/dbraw/zinc/41/06/25/681410625.db2.gz ZJYUNZUHAOIHBW-HIFRSBDPSA-N 1 1 351.403 2.227 20 5 FEBDMO CS(=O)(=O)C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605228 681414911 /nfs/dbraw/zinc/41/49/11/681414911.db2.gz JNUQQFXWIJQGGC-SJORKVTESA-N 1 1 364.423 2.004 20 5 FEBDMO CN1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000933990478 681493569 /nfs/dbraw/zinc/49/35/69/681493569.db2.gz DAADMSHVBVLYDO-UHFFFAOYSA-N 1 1 371.279 2.037 20 5 FEBDMO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000777799887 681531453 /nfs/dbraw/zinc/53/14/53/681531453.db2.gz URUNVTFVOZEWBI-MNOVXSKESA-N 1 1 363.443 2.450 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1F ZINC000848508642 681566198 /nfs/dbraw/zinc/56/61/98/681566198.db2.gz OVRGPGRENOEJOH-KGLIPLIRSA-N 1 1 371.434 2.338 20 5 FEBDMO C[C@@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000848586515 681584439 /nfs/dbraw/zinc/58/44/39/681584439.db2.gz MEYQHRVDWXCJCS-LLVKDONJSA-N 1 1 355.341 2.333 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H]2CC2CCOCC2)c1 ZINC000934643529 681604992 /nfs/dbraw/zinc/60/49/92/681604992.db2.gz MIRLDXXXDPXNQB-QGZVFWFLSA-N 1 1 350.415 2.491 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@H]2CC2CCOCC2)c1 ZINC000934643529 681604995 /nfs/dbraw/zinc/60/49/95/681604995.db2.gz MIRLDXXXDPXNQB-QGZVFWFLSA-N 1 1 350.415 2.491 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cs1 ZINC000849461747 681747585 /nfs/dbraw/zinc/74/75/85/681747585.db2.gz ZDQMWVWDCOVLBV-LLVKDONJSA-N 1 1 359.473 2.342 20 5 FEBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913284784 685475135 /nfs/dbraw/zinc/47/51/35/685475135.db2.gz QNZUGGMNIOZMFO-IYBDPMFKSA-N 1 1 361.427 2.013 20 5 FEBDMO CC1(C)CN(c2cc(Br)ccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000780631456 681855033 /nfs/dbraw/zinc/85/50/33/681855033.db2.gz UJGMAASDIBGGSX-UHFFFAOYSA-N 1 1 358.236 2.250 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCC(F)(F)F)CC2 ZINC000957547972 681906609 /nfs/dbraw/zinc/90/66/09/681906609.db2.gz WAFDUFMATRJHSO-CHWSQXEVSA-N 1 1 363.380 2.309 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000782403810 682038925 /nfs/dbraw/zinc/03/89/25/682038925.db2.gz AHOVXIHAUXSIHA-ZDUSSCGKSA-N 1 1 364.471 2.477 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1Br ZINC000852311962 682258579 /nfs/dbraw/zinc/25/85/79/682258579.db2.gz QLRWTZPYSSFSOE-LLVKDONJSA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1Br ZINC000852311962 682258580 /nfs/dbraw/zinc/25/85/80/682258580.db2.gz QLRWTZPYSSFSOE-LLVKDONJSA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@@H](Cn4ccnn4)C3)c2c(Cl)c1 ZINC000853522696 682428095 /nfs/dbraw/zinc/42/80/95/682428095.db2.gz CHJLTFOCPZAGGC-LLVKDONJSA-N 1 1 361.793 2.169 20 5 FEBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@@H](Cn4ccnn4)C3)c2c(Cl)c1 ZINC000853522696 682428099 /nfs/dbraw/zinc/42/80/99/682428099.db2.gz CHJLTFOCPZAGGC-LLVKDONJSA-N 1 1 361.793 2.169 20 5 FEBDMO O=C1CC[C@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC[C@H]2N1 ZINC000853557324 682433423 /nfs/dbraw/zinc/43/34/23/682433423.db2.gz KXBBMFHQLCVOAC-IINYFYTJSA-N 1 1 363.805 2.156 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC[C@H]2N1 ZINC000853557324 682433427 /nfs/dbraw/zinc/43/34/27/682433427.db2.gz KXBBMFHQLCVOAC-IINYFYTJSA-N 1 1 363.805 2.156 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000855164181 682634437 /nfs/dbraw/zinc/63/44/37/682634437.db2.gz JDUQZZYUIFWLLU-SECBINFHSA-N 1 1 371.235 2.355 20 5 FEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000792957937 682851770 /nfs/dbraw/zinc/85/17/70/682851770.db2.gz FBIICTKYCHREKB-AWEZNQCLSA-N 1 1 353.419 2.302 20 5 FEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)CCNC(=O)OC(C)(C)C ZINC000792957937 682851775 /nfs/dbraw/zinc/85/17/75/682851775.db2.gz FBIICTKYCHREKB-AWEZNQCLSA-N 1 1 353.419 2.302 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000858178697 682940990 /nfs/dbraw/zinc/94/09/90/682940990.db2.gz PPYRQNAMVSMCHU-LBPRGKRZSA-N 1 1 355.822 2.335 20 5 FEBDMO C[C@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000928440924 683451353 /nfs/dbraw/zinc/45/13/53/683451353.db2.gz ODASTVMLOFCCSM-TVQRCGJNSA-N 1 1 356.220 2.109 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929216504 683564062 /nfs/dbraw/zinc/56/40/62/683564062.db2.gz BYSAIJUGIGGIDC-LSDHHAIUSA-N 1 1 368.821 2.311 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000931186296 683849110 /nfs/dbraw/zinc/84/91/10/683849110.db2.gz LVCIALXIKHKCFF-OLZOCXBDSA-N 1 1 367.833 2.160 20 5 FEBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H](C)CN1CCN(C)CC1 ZINC000866260844 684086739 /nfs/dbraw/zinc/08/67/39/684086739.db2.gz YBZVVBIZSOGPDW-LSDHHAIUSA-N 1 1 352.454 2.138 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000867308882 684243914 /nfs/dbraw/zinc/24/39/14/684243914.db2.gz NVSZHCBPWVHGNK-INIZCTEOSA-N 1 1 371.434 2.149 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867813574 684397383 /nfs/dbraw/zinc/39/73/83/684397383.db2.gz XYJVRVAEFGTUPX-DGCLKSJQSA-N 1 1 373.862 2.271 20 5 FEBDMO COCCNC(=O)C1([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872080193 684918221 /nfs/dbraw/zinc/91/82/21/684918221.db2.gz UGJDTEAPHNYBAG-LLVKDONJSA-N 1 1 353.444 2.263 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877791955 686462852 /nfs/dbraw/zinc/46/28/52/686462852.db2.gz LFJDNDVRQVNKMG-AKXCLDFRSA-N 1 1 350.440 2.365 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877791955 686462857 /nfs/dbraw/zinc/46/28/57/686462857.db2.gz LFJDNDVRQVNKMG-AKXCLDFRSA-N 1 1 350.440 2.365 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](OC)CC[C@H]1C ZINC000879320940 686794811 /nfs/dbraw/zinc/79/48/11/686794811.db2.gz KDTJAJRQQUFEIW-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000879708278 686892894 /nfs/dbraw/zinc/89/28/94/686892894.db2.gz ITOFUIJRKOENKV-UHFFFAOYSA-N 1 1 351.403 2.051 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCSC[C@@H]2c2ccccc2)c1 ZINC000880388752 687043277 /nfs/dbraw/zinc/04/32/77/687043277.db2.gz UTFJJTRBUKMVQM-DLBZAZTESA-N 1 1 362.455 2.332 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1[NH+]1CCOCC1 ZINC000880494388 687053970 /nfs/dbraw/zinc/05/39/70/687053970.db2.gz ASBLAFZJYMVJSN-HUUCEWRRSA-N 1 1 367.833 2.477 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000884951543 687972455 /nfs/dbraw/zinc/97/24/55/687972455.db2.gz FUBPLRLGNDKAEF-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000885870172 688173994 /nfs/dbraw/zinc/17/39/94/688173994.db2.gz YQKPOFMJRRRMHR-CQSZACIVSA-N 1 1 353.806 2.231 20 5 FEBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892792894 689244415 /nfs/dbraw/zinc/24/44/15/689244415.db2.gz IUQGGHCSXUSJPK-HNNXBMFYSA-N 1 1 368.865 2.281 20 5 FEBDMO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892792894 689244420 /nfs/dbraw/zinc/24/44/20/689244420.db2.gz IUQGGHCSXUSJPK-HNNXBMFYSA-N 1 1 368.865 2.281 20 5 FEBDMO COCC[N@@H+](C)CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896097540 689819184 /nfs/dbraw/zinc/81/91/84/689819184.db2.gz SOZAKBKVWRVEOY-UHFFFAOYSA-N 1 1 368.192 2.349 20 5 FEBDMO COc1cc(CN[C@@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557904 689895002 /nfs/dbraw/zinc/89/50/02/689895002.db2.gz LQNQNNBRYAFYGF-ZYHUDNBSSA-N 1 1 359.373 2.430 20 5 FEBDMO COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557904 689895004 /nfs/dbraw/zinc/89/50/04/689895004.db2.gz LQNQNNBRYAFYGF-ZYHUDNBSSA-N 1 1 359.373 2.430 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c(Br)c1 ZINC000897221092 689990176 /nfs/dbraw/zinc/99/01/76/689990176.db2.gz HCFNEWKXLZMYGX-LSDHHAIUSA-N 1 1 370.247 2.393 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000897221092 689990178 /nfs/dbraw/zinc/99/01/78/689990178.db2.gz HCFNEWKXLZMYGX-LSDHHAIUSA-N 1 1 370.247 2.393 20 5 FEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CNCCC1(F)F ZINC000903956680 690989148 /nfs/dbraw/zinc/98/91/48/690989148.db2.gz MWMMZJVYLSUNKO-NWDGAFQWSA-N 1 1 356.373 2.146 20 5 FEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000903956680 690989151 /nfs/dbraw/zinc/98/91/51/690989151.db2.gz MWMMZJVYLSUNKO-NWDGAFQWSA-N 1 1 356.373 2.146 20 5 FEBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@H](C4OCCO4)C3)c2c(Cl)c1 ZINC000905696367 691163755 /nfs/dbraw/zinc/16/37/55/691163755.db2.gz OLEGIADFRHLMNP-JTQLQIEISA-N 1 1 352.778 2.250 20 5 FEBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@H](C4OCCO4)C3)c2c(Cl)c1 ZINC000905696367 691163758 /nfs/dbraw/zinc/16/37/58/691163758.db2.gz OLEGIADFRHLMNP-JTQLQIEISA-N 1 1 352.778 2.250 20 5 FEBDMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908075467 691610239 /nfs/dbraw/zinc/61/02/39/691610239.db2.gz IYKWZIVYDZTZTH-GFCCVEGCSA-N 1 1 370.203 2.017 20 5 FEBDMO C[N@H+]1CCC[C@@](O)(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000908077429 691610776 /nfs/dbraw/zinc/61/07/76/691610776.db2.gz ZGQZESSZGPSPOB-CQSZACIVSA-N 1 1 372.219 2.143 20 5 FEBDMO COc1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164726506 720375770 /nfs/dbraw/zinc/37/57/70/720375770.db2.gz OZWOXXFMYQUEAU-JKSUJKDBSA-N 1 1 355.398 2.247 20 5 FEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164790784 721390516 /nfs/dbraw/zinc/39/05/16/721390516.db2.gz YFFAMFAMUVGXOB-UWVGGRQHSA-N 1 1 366.834 2.063 20 5 FEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@H]2CCCO[C@H]12 ZINC001164803144 721537817 /nfs/dbraw/zinc/53/78/17/721537817.db2.gz IHUWRWPERZXOSR-FCEWJHQRSA-N 1 1 369.425 2.253 20 5 FEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@H]2CCCO[C@H]12 ZINC001164803144 721537821 /nfs/dbraw/zinc/53/78/21/721537821.db2.gz IHUWRWPERZXOSR-FCEWJHQRSA-N 1 1 369.425 2.253 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473524418 887812274 /nfs/dbraw/zinc/81/22/74/887812274.db2.gz OJVLVSLBBSMQQN-CQSZACIVSA-N 1 1 357.414 2.142 20 5 FEBDMO CCOc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268421 539932665 /nfs/dbraw/zinc/93/26/65/539932665.db2.gz PJWSNPKABMOMIC-OAHLLOKOSA-N 1 1 365.430 2.080 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000041644472 540028770 /nfs/dbraw/zinc/02/87/70/540028770.db2.gz NLKVWKDAHZVULP-STQMWFEESA-N 1 1 362.430 2.221 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000550427357 674095122 /nfs/dbraw/zinc/09/51/22/674095122.db2.gz OAWXMPAXEJKQFS-CYBMUJFWSA-N 1 1 360.336 2.365 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047105122 540289599 /nfs/dbraw/zinc/28/95/99/540289599.db2.gz CICUXGWQCOUCMR-HZPDHXFCSA-N 1 1 373.457 2.053 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000047144365 540292663 /nfs/dbraw/zinc/29/26/63/540292663.db2.gz YIZPWXAJXGQZIP-AWEZNQCLSA-N 1 1 357.414 2.385 20 5 FEBDMO COc1ccccc1C[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000076290838 542255173 /nfs/dbraw/zinc/25/51/73/542255173.db2.gz PDKFSAXKEBBJND-UHFFFAOYSA-N 1 1 370.409 2.025 20 5 FEBDMO CNC(=O)c1ccc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053579998 540544152 /nfs/dbraw/zinc/54/41/52/540544152.db2.gz GRUOTRNTSNPMQN-UHFFFAOYSA-N 1 1 360.439 2.486 20 5 FEBDMO CNC(=O)c1ccc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000053579998 540544156 /nfs/dbraw/zinc/54/41/56/540544156.db2.gz GRUOTRNTSNPMQN-UHFFFAOYSA-N 1 1 360.439 2.486 20 5 FEBDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000054394459 540588142 /nfs/dbraw/zinc/58/81/42/540588142.db2.gz IZVHLFWAVKRHCB-CQSZACIVSA-N 1 1 350.371 2.379 20 5 FEBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000054394459 540588144 /nfs/dbraw/zinc/58/81/44/540588144.db2.gz IZVHLFWAVKRHCB-CQSZACIVSA-N 1 1 350.371 2.379 20 5 FEBDMO Nc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)cc1[N+](=O)[O-] ZINC000055642505 540667143 /nfs/dbraw/zinc/66/71/43/540667143.db2.gz WDURMTRRRPHHGZ-UHFFFAOYSA-N 1 1 360.439 2.239 20 5 FEBDMO CCN(CC)C(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055902297 540685009 /nfs/dbraw/zinc/68/50/09/540685009.db2.gz GBLPTZMGSLOIIV-UHFFFAOYSA-N 1 1 364.446 2.443 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)cc1OC ZINC000058925353 540860616 /nfs/dbraw/zinc/86/06/16/540860616.db2.gz WSNYVWZLSOCEQU-LBPRGKRZSA-N 1 1 351.403 2.074 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000061140570 541127191 /nfs/dbraw/zinc/12/71/91/541127191.db2.gz PIILBYPPWFJUJV-AWEZNQCLSA-N 1 1 371.441 2.053 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067202405 541432540 /nfs/dbraw/zinc/43/25/40/541432540.db2.gz IKSPISNRZYCDPT-MRXNPFEDSA-N 1 1 363.462 2.342 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000069527351 541694093 /nfs/dbraw/zinc/69/40/93/541694093.db2.gz KGQHXWMNFDWCKN-OAHLLOKOSA-N 1 1 362.430 2.010 20 5 FEBDMO COCC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000544394484 541763613 /nfs/dbraw/zinc/76/36/13/541763613.db2.gz JNELPRRNNUVETJ-UHFFFAOYSA-N 1 1 361.240 2.441 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000072855639 541882160 /nfs/dbraw/zinc/88/21/60/541882160.db2.gz SYMGOWGTPFANNI-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CCOCC2 ZINC000072899237 541891083 /nfs/dbraw/zinc/89/10/83/541891083.db2.gz HJGUFJWCDZBAPM-CYBMUJFWSA-N 1 1 363.414 2.433 20 5 FEBDMO Nc1nc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ncc1[N+](=O)[O-] ZINC000117408647 206101106 /nfs/dbraw/zinc/10/11/06/206101106.db2.gz IVYMOZODDADUCE-UHFFFAOYSA-N 1 1 364.356 2.322 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000074970956 542142694 /nfs/dbraw/zinc/14/26/94/542142694.db2.gz RTHBXODMVDPRIY-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO CCCS(=O)(=O)NC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075638015 542194860 /nfs/dbraw/zinc/19/48/60/542194860.db2.gz VPEXEPNVFIWQMD-CYBMUJFWSA-N 1 1 355.460 2.450 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000076179408 542240138 /nfs/dbraw/zinc/24/01/38/542240138.db2.gz JYLFYUHGUJOGEO-STQMWFEESA-N 1 1 354.457 2.004 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCCC[NH+]1CCOCC1 ZINC000077165051 542349720 /nfs/dbraw/zinc/34/97/20/542349720.db2.gz SVSMAWFYVIYMQE-UHFFFAOYSA-N 1 1 355.366 2.045 20 5 FEBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077977195 542434548 /nfs/dbraw/zinc/43/45/48/542434548.db2.gz AHMMOOWFSZSSPD-GOSISDBHSA-N 1 1 369.425 2.183 20 5 FEBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077977195 542434553 /nfs/dbraw/zinc/43/45/53/542434553.db2.gz AHMMOOWFSZSSPD-GOSISDBHSA-N 1 1 369.425 2.183 20 5 FEBDMO COc1ccc(NC(=O)CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000080959944 542619314 /nfs/dbraw/zinc/61/93/14/542619314.db2.gz GXJXIKDLKSWWKT-LBPRGKRZSA-N 1 1 359.386 2.145 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000085636276 542730747 /nfs/dbraw/zinc/73/07/47/542730747.db2.gz YLHSWQQVFVCGJD-UHFFFAOYSA-N 1 1 363.462 2.359 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000088600249 542754708 /nfs/dbraw/zinc/75/47/08/542754708.db2.gz HAMXALOUMPSZGX-LBPRGKRZSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000088600249 542754711 /nfs/dbraw/zinc/75/47/11/542754711.db2.gz HAMXALOUMPSZGX-LBPRGKRZSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3c([N+](=O)[O-])ncn3C)C2)cc(OC)c1 ZINC000088751424 542755538 /nfs/dbraw/zinc/75/55/38/542755538.db2.gz FNCHSTUQYXNPNL-CYBMUJFWSA-N 1 1 361.402 2.032 20 5 FEBDMO CCOc1ccc(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000802141322 674163711 /nfs/dbraw/zinc/16/37/11/674163711.db2.gz VYSXDQJSDOEUDM-AWEZNQCLSA-N 1 1 352.387 2.260 20 5 FEBDMO Cc1cccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089961882 542778404 /nfs/dbraw/zinc/77/84/04/542778404.db2.gz SQXHZIGDUYJUNF-IAGOWNOFSA-N 1 1 369.421 2.268 20 5 FEBDMO CCc1nn(C)c(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000091478769 542810103 /nfs/dbraw/zinc/81/01/03/542810103.db2.gz WAWMGYINBKYNKI-OKILXGFUSA-N 1 1 365.478 2.216 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000092218517 542848805 /nfs/dbraw/zinc/84/88/05/542848805.db2.gz LYODZTPRXXLGEK-OAHLLOKOSA-N 1 1 371.384 2.493 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000092218517 542848806 /nfs/dbraw/zinc/84/88/06/542848806.db2.gz LYODZTPRXXLGEK-OAHLLOKOSA-N 1 1 371.384 2.493 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)n2)cc1 ZINC000247423849 549333107 /nfs/dbraw/zinc/33/31/07/549333107.db2.gz ZGNGQUADXXPCCA-KGLIPLIRSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCS[C@H]4COCC[C@H]43)n2)cc1 ZINC000247423849 549333112 /nfs/dbraw/zinc/33/31/12/549333112.db2.gz ZGNGQUADXXPCCA-KGLIPLIRSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000093665464 542937090 /nfs/dbraw/zinc/93/70/90/542937090.db2.gz IKSCADGBLNPPNV-ZDUSSCGKSA-N 1 1 371.384 2.350 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000093665464 542937091 /nfs/dbraw/zinc/93/70/91/542937091.db2.gz IKSCADGBLNPPNV-ZDUSSCGKSA-N 1 1 371.384 2.350 20 5 FEBDMO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093808655 542941322 /nfs/dbraw/zinc/94/13/22/542941322.db2.gz SDBQMMSZYNJSSQ-JTQLQIEISA-N 1 1 356.220 2.445 20 5 FEBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093808655 542941323 /nfs/dbraw/zinc/94/13/23/542941323.db2.gz SDBQMMSZYNJSSQ-JTQLQIEISA-N 1 1 356.220 2.445 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891633 543253105 /nfs/dbraw/zinc/25/31/05/543253105.db2.gz USCBXRCQOHLSIL-AWEZNQCLSA-N 1 1 367.471 2.452 20 5 FEBDMO Cc1cccc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000107282808 543264729 /nfs/dbraw/zinc/26/47/29/543264729.db2.gz ITDGCEWKADUXHD-INIZCTEOSA-N 1 1 360.458 2.145 20 5 FEBDMO COC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112988491 543471147 /nfs/dbraw/zinc/47/11/47/543471147.db2.gz JAGREUJHEGYFER-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000115437168 543567437 /nfs/dbraw/zinc/56/74/37/543567437.db2.gz WEGAUXXWHFHZPH-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000115586391 543576386 /nfs/dbraw/zinc/57/63/86/543576386.db2.gz CXYMERHBWXCNEB-LLVKDONJSA-N 1 1 361.851 2.211 20 5 FEBDMO CC[N@@H+]1CCc2nc(NC(=O)CNc3ccccc3[N+](=O)[O-])sc2C1 ZINC000123668830 543775716 /nfs/dbraw/zinc/77/57/16/543775716.db2.gz KSPXEBDVSWUBEF-UHFFFAOYSA-N 1 1 361.427 2.480 20 5 FEBDMO CC[N@H+]1CCc2nc(NC(=O)CNc3ccccc3[N+](=O)[O-])sc2C1 ZINC000123668830 543775719 /nfs/dbraw/zinc/77/57/19/543775719.db2.gz KSPXEBDVSWUBEF-UHFFFAOYSA-N 1 1 361.427 2.480 20 5 FEBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3c([N+](=O)[O-])cnn3C)c2)C[C@H](C)O1 ZINC000123758113 543780963 /nfs/dbraw/zinc/78/09/63/543780963.db2.gz XYODILRSOFUDEP-STQMWFEESA-N 1 1 373.413 2.190 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000124315286 543813162 /nfs/dbraw/zinc/81/31/62/543813162.db2.gz RNSQMQAKDXVYEW-GFCCVEGCSA-N 1 1 371.846 2.191 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)CN1CCOCC1 ZINC000124110062 543801687 /nfs/dbraw/zinc/80/16/87/543801687.db2.gz CEITWQUJKSZGLO-UHFFFAOYSA-N 1 1 351.447 2.264 20 5 FEBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124832078 543845246 /nfs/dbraw/zinc/84/52/46/543845246.db2.gz YRWFDKHNQTWOQY-OAHLLOKOSA-N 1 1 357.414 2.302 20 5 FEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000126260404 543926339 /nfs/dbraw/zinc/92/63/39/543926339.db2.gz PWSKINDEYJZDDS-ONGXEEELSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000126260404 543926342 /nfs/dbraw/zinc/92/63/42/543926342.db2.gz PWSKINDEYJZDDS-ONGXEEELSA-N 1 1 359.835 2.152 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000125675187 543895533 /nfs/dbraw/zinc/89/55/33/543895533.db2.gz WQASMQDKQMHCKO-RYUDHWBXSA-N 1 1 359.473 2.070 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@H+]1C1CC1 ZINC000127571112 544000872 /nfs/dbraw/zinc/00/08/72/544000872.db2.gz XAECFSKCIYYATM-GJZGRUSLSA-N 1 1 373.457 2.052 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[N@H+]1C1CC1 ZINC000127614693 544003935 /nfs/dbraw/zinc/00/39/35/544003935.db2.gz LWTVYKQKGABEPT-HUUCEWRRSA-N 1 1 373.457 2.052 20 5 FEBDMO COC(=O)CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000128636212 544063660 /nfs/dbraw/zinc/06/36/60/544063660.db2.gz JECUATIMSXYDOH-UHFFFAOYSA-N 1 1 355.366 2.336 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000129208983 544097247 /nfs/dbraw/zinc/09/72/47/544097247.db2.gz PJQAAVOCDHLMIU-LLVKDONJSA-N 1 1 361.489 2.228 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000131032291 544174769 /nfs/dbraw/zinc/17/47/69/544174769.db2.gz QOUYXWZCXJPJMI-CQSZACIVSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000131032291 544174770 /nfs/dbraw/zinc/17/47/70/544174770.db2.gz QOUYXWZCXJPJMI-CQSZACIVSA-N 1 1 365.430 2.176 20 5 FEBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000131986610 544214522 /nfs/dbraw/zinc/21/45/22/544214522.db2.gz PSZUEEFEQAMOQO-VIFPVBQESA-N 1 1 354.823 2.338 20 5 FEBDMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000131996931 544214651 /nfs/dbraw/zinc/21/46/51/544214651.db2.gz VKIRKXLKIWFHQQ-RHSMWYFYSA-N 1 1 360.414 2.283 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000133530622 544274002 /nfs/dbraw/zinc/27/40/02/544274002.db2.gz MAYVGVOJETWHGP-NSHDSACASA-N 1 1 359.423 2.053 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134933127 544328232 /nfs/dbraw/zinc/32/82/32/544328232.db2.gz IKBKKODPWRHIDV-ZDUSSCGKSA-N 1 1 368.865 2.252 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCS[C@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000135510740 544349995 /nfs/dbraw/zinc/34/99/95/544349995.db2.gz ISQIBWOIEZHHKM-HOTGVXAUSA-N 1 1 365.455 2.438 20 5 FEBDMO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141604813 544413675 /nfs/dbraw/zinc/41/36/75/544413675.db2.gz JCQPJWZGXSNZID-MRXNPFEDSA-N 1 1 355.398 2.091 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CCC[N@H+](C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000149169649 544455201 /nfs/dbraw/zinc/45/52/01/544455201.db2.gz KXJQTJIYKBSZPQ-UHFFFAOYSA-N 1 1 361.398 2.082 20 5 FEBDMO COc1cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000150777186 544469761 /nfs/dbraw/zinc/46/97/61/544469761.db2.gz UDLVNGWTEQKFHA-ZDUSSCGKSA-N 1 1 371.459 2.146 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](C)CC1 ZINC000152709134 544686260 /nfs/dbraw/zinc/68/62/60/544686260.db2.gz GVGFIEAVSUVGLH-INIZCTEOSA-N 1 1 368.865 2.250 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000152987986 544719463 /nfs/dbraw/zinc/71/94/63/544719463.db2.gz BNSYYIUXFWDRIL-OLZOCXBDSA-N 1 1 355.398 2.136 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000155198763 545000722 /nfs/dbraw/zinc/00/07/22/545000722.db2.gz WKZWGLBVTIXRAS-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000553280057 674249995 /nfs/dbraw/zinc/24/99/95/674249995.db2.gz QDGURRWEURAHFF-CHWSQXEVSA-N 1 1 350.419 2.760 20 5 FEBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000553580140 674272918 /nfs/dbraw/zinc/27/29/18/674272918.db2.gz GMFHYHOQOLLXJJ-MRXNPFEDSA-N 1 1 367.402 2.315 20 5 FEBDMO Cc1ccc(OC2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)nc1 ZINC000182845759 327790938 /nfs/dbraw/zinc/79/09/38/327790938.db2.gz VZRVZWFDHDXWAM-UHFFFAOYSA-N 1 1 370.409 2.441 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000184821333 327884360 /nfs/dbraw/zinc/88/43/60/327884360.db2.gz CRIYRLLBWRAWNA-RDJZCZTQSA-N 1 1 363.458 2.248 20 5 FEBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000188118699 328067232 /nfs/dbraw/zinc/06/72/32/328067232.db2.gz FDVQRFNMMUADAG-HXUWFJFHSA-N 1 1 369.421 2.304 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000189150898 328131469 /nfs/dbraw/zinc/13/14/69/328131469.db2.gz NQVMFRPRYYQSMP-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189256432 328137362 /nfs/dbraw/zinc/13/73/62/328137362.db2.gz NKMFZKKUCSPQEG-WBMJQRKESA-N 1 1 351.403 2.289 20 5 FEBDMO CC[C@@]1(CO)CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000189610619 328157878 /nfs/dbraw/zinc/15/78/78/328157878.db2.gz YBILMCSMLDEPDW-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189701170 328163020 /nfs/dbraw/zinc/16/30/20/328163020.db2.gz MGQSLUQHVXWUNS-UHFFFAOYSA-N 1 1 357.414 2.396 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190009292 328182260 /nfs/dbraw/zinc/18/22/60/328182260.db2.gz KJPXWNRKGBYJIS-UHFFFAOYSA-N 1 1 366.443 2.475 20 5 FEBDMO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190031388 328183741 /nfs/dbraw/zinc/18/37/41/328183741.db2.gz XDZIUZAVOROICQ-ZDUSSCGKSA-N 1 1 350.419 2.212 20 5 FEBDMO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000190145120 328190704 /nfs/dbraw/zinc/19/07/04/328190704.db2.gz UHCKQHAJNRCGSQ-LRDDRELGSA-N 1 1 357.414 2.081 20 5 FEBDMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000190145120 328190706 /nfs/dbraw/zinc/19/07/06/328190706.db2.gz UHCKQHAJNRCGSQ-LRDDRELGSA-N 1 1 357.414 2.081 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000191404938 328264207 /nfs/dbraw/zinc/26/42/07/328264207.db2.gz JKIHIMPEZVNZKU-UHFFFAOYSA-N 1 1 363.462 2.359 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)n1 ZINC000191523084 328269449 /nfs/dbraw/zinc/26/94/49/328269449.db2.gz VYPPZAAHGYFXQC-UHFFFAOYSA-N 1 1 371.441 2.378 20 5 FEBDMO CCOC[C@H]1CC[N@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])C1 ZINC000081520572 325180937 /nfs/dbraw/zinc/18/09/37/325180937.db2.gz MPIGTBCOTJWLIT-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])C1 ZINC000081520572 325180939 /nfs/dbraw/zinc/18/09/39/325180939.db2.gz MPIGTBCOTJWLIT-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000083995876 325226946 /nfs/dbraw/zinc/22/69/46/325226946.db2.gz TUTBKGMQBVCJDN-LLVKDONJSA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000083995876 325226952 /nfs/dbraw/zinc/22/69/52/325226952.db2.gz TUTBKGMQBVCJDN-LLVKDONJSA-N 1 1 361.851 2.271 20 5 FEBDMO CC(C)C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000087035522 325271204 /nfs/dbraw/zinc/27/12/04/325271204.db2.gz OXWYUXBNHPDRAA-GOSISDBHSA-N 1 1 363.458 2.391 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000090589649 325364871 /nfs/dbraw/zinc/36/48/71/325364871.db2.gz FUISCXSMQIGUIW-GOSISDBHSA-N 1 1 357.410 2.030 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000116645953 326028493 /nfs/dbraw/zinc/02/84/93/326028493.db2.gz XQOUKZTYNUPJMU-AWEZNQCLSA-N 1 1 363.414 2.317 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118117331 326082901 /nfs/dbraw/zinc/08/29/01/326082901.db2.gz HHXCOILQKLFMIS-SNVBAGLBSA-N 1 1 356.810 2.033 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000119038208 326120948 /nfs/dbraw/zinc/12/09/48/326120948.db2.gz QQQMZUARIJMTLA-UHFFFAOYSA-N 1 1 366.443 2.427 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000119583879 326177890 /nfs/dbraw/zinc/17/78/90/326177890.db2.gz VHHUQTONEIYHFG-CABCVRRESA-N 1 1 372.429 2.234 20 5 FEBDMO CCOC(=O)c1ccnc(N2CCN(c3cc(C)cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000153006099 326721552 /nfs/dbraw/zinc/72/15/52/326721552.db2.gz JHFSXIVARHSAGD-UHFFFAOYSA-N 1 1 371.397 2.197 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161926562 327012686 /nfs/dbraw/zinc/01/26/86/327012686.db2.gz RGTYWYRMAPTFJA-DYVFJYSZSA-N 1 1 358.442 2.408 20 5 FEBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000162343271 327023467 /nfs/dbraw/zinc/02/34/67/327023467.db2.gz TYLLYYUFZNGKQB-RYUDHWBXSA-N 1 1 359.386 2.179 20 5 FEBDMO Cc1c(Br)c(NCCC[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000165717727 327078914 /nfs/dbraw/zinc/07/89/14/327078914.db2.gz TXVMKSMNLOQOJW-UHFFFAOYSA-N 1 1 359.224 2.195 20 5 FEBDMO CC(=O)N1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000170906651 327106631 /nfs/dbraw/zinc/10/66/31/327106631.db2.gz XRVUERZMDFRVQQ-UHFFFAOYSA-N 1 1 358.398 2.347 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000171809467 327162923 /nfs/dbraw/zinc/16/29/23/327162923.db2.gz TUZOLNYBABWYHA-OAHLLOKOSA-N 1 1 371.441 2.175 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000173165685 327238464 /nfs/dbraw/zinc/23/84/64/327238464.db2.gz CDTNRENSJZDFIU-UHFFFAOYSA-N 1 1 351.366 2.343 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000173242062 327243643 /nfs/dbraw/zinc/24/36/43/327243643.db2.gz SZJZWHPYXWRDBP-KBPBESRZSA-N 1 1 355.460 2.172 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173671605 327275428 /nfs/dbraw/zinc/27/54/28/327275428.db2.gz JYOIMVBLNLIKTI-GFCCVEGCSA-N 1 1 359.423 2.229 20 5 FEBDMO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nnnn1-c1ccccc1 ZINC000174074066 327304926 /nfs/dbraw/zinc/30/49/26/327304926.db2.gz YMRIFYJEVIUKRM-ZDUSSCGKSA-N 1 1 354.370 2.300 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000174880228 327357414 /nfs/dbraw/zinc/35/74/14/327357414.db2.gz KOMHUANCLAYPFP-ZDUSSCGKSA-N 1 1 353.423 2.123 20 5 FEBDMO CNC(=O)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000175027559 327369019 /nfs/dbraw/zinc/36/90/19/327369019.db2.gz RXMWELUGOBRLNH-CYBMUJFWSA-N 1 1 362.430 2.078 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000264639966 329043696 /nfs/dbraw/zinc/04/36/96/329043696.db2.gz XJTWGPXYXBVGRK-QGZVFWFLSA-N 1 1 362.474 2.076 20 5 FEBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264796517 329061997 /nfs/dbraw/zinc/06/19/97/329061997.db2.gz UOVSXJCOJJSIGY-UHFFFAOYSA-N 1 1 360.414 2.051 20 5 FEBDMO CCc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264802251 329062507 /nfs/dbraw/zinc/06/25/07/329062507.db2.gz UURPARBTXCEAHI-QGZVFWFLSA-N 1 1 370.457 2.272 20 5 FEBDMO CCc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264802251 329062509 /nfs/dbraw/zinc/06/25/09/329062509.db2.gz UURPARBTXCEAHI-QGZVFWFLSA-N 1 1 370.457 2.272 20 5 FEBDMO CCc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264802251 329062510 /nfs/dbraw/zinc/06/25/10/329062510.db2.gz UURPARBTXCEAHI-QGZVFWFLSA-N 1 1 370.457 2.272 20 5 FEBDMO COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000266341197 329213142 /nfs/dbraw/zinc/21/31/42/329213142.db2.gz LOTBWTNLOSIXGU-NSHDSACASA-N 1 1 361.320 2.064 20 5 FEBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](CCO)c1ccccc1 ZINC000266525607 329233028 /nfs/dbraw/zinc/23/30/28/329233028.db2.gz BECHKYATCMYMMA-IEBWSBKVSA-N 1 1 360.410 2.390 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000266530210 329233165 /nfs/dbraw/zinc/23/31/65/329233165.db2.gz LXOWVAJFZJAMIY-BBRMVZONSA-N 1 1 350.806 2.295 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCCCO1 ZINC000266713158 329252233 /nfs/dbraw/zinc/25/22/33/329252233.db2.gz JREDNKORTQAKLY-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000266966367 329277799 /nfs/dbraw/zinc/27/77/99/329277799.db2.gz ZSDLGIMENJKSMX-TZMCWYRMSA-N 1 1 353.423 2.026 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268160910 329391944 /nfs/dbraw/zinc/39/19/44/329391944.db2.gz SXRPLFZWBSPDGE-ZDUSSCGKSA-N 1 1 363.414 2.397 20 5 FEBDMO O=C(NC1CC[NH+](Cc2ccncc2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272649297 329801583 /nfs/dbraw/zinc/80/15/83/329801583.db2.gz ZARQVXMGEJIIGA-UHFFFAOYSA-N 1 1 356.382 2.090 20 5 FEBDMO O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000275078844 330008243 /nfs/dbraw/zinc/00/82/43/330008243.db2.gz CTUSBFWEQOKGAV-VIFPVBQESA-N 1 1 372.303 2.236 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276350911 330143914 /nfs/dbraw/zinc/14/39/14/330143914.db2.gz ULLBUZKONBNFEO-CYBMUJFWSA-N 1 1 355.460 2.388 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000276469919 330155443 /nfs/dbraw/zinc/15/54/43/330155443.db2.gz YLICNWKJSXHWAS-TZMCWYRMSA-N 1 1 352.387 2.113 20 5 FEBDMO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440840967 330276461 /nfs/dbraw/zinc/27/64/61/330276461.db2.gz CGQDLTAJVRDALB-XVKPBYJWSA-N 1 1 368.242 2.178 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000155778217 545568721 /nfs/dbraw/zinc/56/87/21/545568721.db2.gz OVVDSQWRNRZLHM-QLFBSQMISA-N 1 1 369.487 2.381 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCN1C(=O)c2ccccc2C1=O ZINC000158987312 545911711 /nfs/dbraw/zinc/91/17/11/545911711.db2.gz GYCWNQPHDIRXQB-UHFFFAOYSA-N 1 1 369.377 2.202 20 5 FEBDMO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000478435894 561166845 /nfs/dbraw/zinc/16/68/45/561166845.db2.gz MHNNPJSROMOWAE-UHFFFAOYSA-N 1 1 356.386 2.351 20 5 FEBDMO CC(C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000478435894 561166846 /nfs/dbraw/zinc/16/68/46/561166846.db2.gz MHNNPJSROMOWAE-UHFFFAOYSA-N 1 1 356.386 2.351 20 5 FEBDMO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159843214 545984732 /nfs/dbraw/zinc/98/47/32/545984732.db2.gz SUZARQNKBUHLID-HNNXBMFYSA-N 1 1 373.384 2.491 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000160461333 546043149 /nfs/dbraw/zinc/04/31/49/546043149.db2.gz NFDKGMMWMXSQJN-UHFFFAOYSA-N 1 1 367.471 2.027 20 5 FEBDMO CCc1[nH]nc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000170788980 546177342 /nfs/dbraw/zinc/17/73/42/546177342.db2.gz HJJMHWXKKLFTMI-UHFFFAOYSA-N 1 1 373.413 2.007 20 5 FEBDMO COCC[N@@H+](C)CCNC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000171127676 546192342 /nfs/dbraw/zinc/19/23/42/546192342.db2.gz MXLMZWSTSQQLJV-UHFFFAOYSA-N 1 1 364.427 2.026 20 5 FEBDMO COc1cccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]2CCCO2)c1 ZINC000176218128 546420466 /nfs/dbraw/zinc/42/04/66/546420466.db2.gz JYYMHPSJGFURRC-KRWDZBQOSA-N 1 1 360.414 2.481 20 5 FEBDMO C[C@H](c1ccc(F)cc1F)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176230590 546422029 /nfs/dbraw/zinc/42/20/29/546422029.db2.gz KRBOLEMCQINAHF-CYBMUJFWSA-N 1 1 365.384 2.448 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177583412 546648371 /nfs/dbraw/zinc/64/83/71/546648371.db2.gz IDCRCLSBQAOZCU-RTHVDDQRSA-N 1 1 371.441 2.064 20 5 FEBDMO Nc1c(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000178174890 546751532 /nfs/dbraw/zinc/75/15/32/546751532.db2.gz QKKSNUNKRFRCTH-UHFFFAOYSA-N 1 1 370.409 2.304 20 5 FEBDMO COCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000179347895 546936486 /nfs/dbraw/zinc/93/64/86/546936486.db2.gz MULRBOIUQCFCLA-HNNXBMFYSA-N 1 1 365.430 2.359 20 5 FEBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000483113365 561267658 /nfs/dbraw/zinc/26/76/58/561267658.db2.gz VDKBOTVFFXJMFC-MRXNPFEDSA-N 1 1 356.382 2.082 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000483113365 561267659 /nfs/dbraw/zinc/26/76/59/561267659.db2.gz VDKBOTVFFXJMFC-MRXNPFEDSA-N 1 1 356.382 2.082 20 5 FEBDMO CCC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000182500272 547504662 /nfs/dbraw/zinc/50/46/62/547504662.db2.gz GAEJXGWVYJCBGA-KRWDZBQOSA-N 1 1 371.441 2.304 20 5 FEBDMO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182672007 547531380 /nfs/dbraw/zinc/53/13/80/547531380.db2.gz PTPKWJSLDWWERJ-SNVBAGLBSA-N 1 1 357.794 2.460 20 5 FEBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182672007 547531382 /nfs/dbraw/zinc/53/13/82/547531382.db2.gz PTPKWJSLDWWERJ-SNVBAGLBSA-N 1 1 357.794 2.460 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000183633233 547693553 /nfs/dbraw/zinc/69/35/53/547693553.db2.gz XCDWSPSIAJWYSP-KGLIPLIRSA-N 1 1 365.434 2.248 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000183763862 547714659 /nfs/dbraw/zinc/71/46/59/547714659.db2.gz SIDCHUQQOWNHKP-MRXNPFEDSA-N 1 1 355.394 2.091 20 5 FEBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000183995483 547750667 /nfs/dbraw/zinc/75/06/67/547750667.db2.gz TVLAQDNGGRTCOG-UHFFFAOYSA-N 1 1 355.460 2.139 20 5 FEBDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000184479928 547833500 /nfs/dbraw/zinc/83/35/00/547833500.db2.gz HGEWGPXJFXRSHE-ZDUSSCGKSA-N 1 1 363.414 2.247 20 5 FEBDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000184479928 547833507 /nfs/dbraw/zinc/83/35/07/547833507.db2.gz HGEWGPXJFXRSHE-ZDUSSCGKSA-N 1 1 363.414 2.247 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000184924411 547901280 /nfs/dbraw/zinc/90/12/80/547901280.db2.gz VZEPJHWPOPCXJO-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000184924411 547901286 /nfs/dbraw/zinc/90/12/86/547901286.db2.gz VZEPJHWPOPCXJO-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCn3cc([N+](=O)[O-])cn3)n2)c1 ZINC000185117488 547935866 /nfs/dbraw/zinc/93/58/66/547935866.db2.gz ZIAPXTZSUHCMJH-NSHDSACASA-N 1 1 358.358 2.201 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186654793 548167262 /nfs/dbraw/zinc/16/72/62/548167262.db2.gz SLGXNKIHMPEAQW-PXNSSMCTSA-N 1 1 370.405 2.466 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000488216290 561386300 /nfs/dbraw/zinc/38/63/00/561386300.db2.gz JKSDUQZQYWXHKS-GFCCVEGCSA-N 1 1 353.444 2.157 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246114370 549055779 /nfs/dbraw/zinc/05/57/79/549055779.db2.gz IPIGHEZTMUJLDO-BBRMVZONSA-N 1 1 355.460 2.087 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246164075 549067815 /nfs/dbraw/zinc/06/78/15/549067815.db2.gz OJOGLGULLPDYFY-KGLIPLIRSA-N 1 1 364.446 2.204 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246342606 549110391 /nfs/dbraw/zinc/11/03/91/549110391.db2.gz JAXNYBRGLSBLSI-VHSXEESVSA-N 1 1 357.794 2.316 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246407632 549127138 /nfs/dbraw/zinc/12/71/38/549127138.db2.gz QOAUUHXPNNTJMN-SUMWQHHRSA-N 1 1 365.455 2.232 20 5 FEBDMO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739067 561395782 /nfs/dbraw/zinc/39/57/82/561395782.db2.gz UZENVPBLBDOCDI-IPYPFGDCSA-N 1 1 367.471 2.165 20 5 FEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739067 561395783 /nfs/dbraw/zinc/39/57/83/561395783.db2.gz UZENVPBLBDOCDI-IPYPFGDCSA-N 1 1 367.471 2.165 20 5 FEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762138 561396396 /nfs/dbraw/zinc/39/63/96/561396396.db2.gz CKXLHXROVAJKHN-OZVIIMIRSA-N 1 1 357.414 2.410 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000489304940 561407631 /nfs/dbraw/zinc/40/76/31/561407631.db2.gz JUYLJSHWQIKTBJ-CQSZACIVSA-N 1 1 351.403 2.024 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000248429871 549434995 /nfs/dbraw/zinc/43/49/95/549434995.db2.gz QZQCYQNHMDTJOP-ZNMIVQPWSA-N 1 1 369.487 2.381 20 5 FEBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000248452845 549441211 /nfs/dbraw/zinc/44/12/11/549441211.db2.gz JUQJNNLSBQFNIE-INMHGKMJSA-N 1 1 360.414 2.114 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248470205 549446508 /nfs/dbraw/zinc/44/65/08/549446508.db2.gz HQHYJDQETZLAOD-CMPLNLGQSA-N 1 1 359.423 2.146 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248918125 549528545 /nfs/dbraw/zinc/52/85/45/549528545.db2.gz WIHHHAQWLMASHY-RHSMWYFYSA-N 1 1 371.441 2.127 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249130890 549556773 /nfs/dbraw/zinc/55/67/73/549556773.db2.gz UUWLIFXJTDZYNH-DZGCQCFKSA-N 1 1 363.414 2.363 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249265186 549574037 /nfs/dbraw/zinc/57/40/37/549574037.db2.gz ZMMPRVTWZMFKJW-OCCSQVGLSA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@@H]1SCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000252480399 549666367 /nfs/dbraw/zinc/66/63/67/549666367.db2.gz AIUQNMWDVLXJOP-IAOVAPTHSA-N 1 1 362.455 2.331 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000252653423 549675915 /nfs/dbraw/zinc/67/59/15/549675915.db2.gz YUBSJNOUHRJOIL-YJLNNSPDSA-N 1 1 359.426 2.327 20 5 FEBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000253552279 549695465 /nfs/dbraw/zinc/69/54/65/549695465.db2.gz YTEKONVNLVVDCG-BDJLRTHQSA-N 1 1 358.398 2.307 20 5 FEBDMO CSc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000261650401 549739138 /nfs/dbraw/zinc/73/91/38/549739138.db2.gz GHZIICHIEWXFQT-OAHLLOKOSA-N 1 1 358.423 2.498 20 5 FEBDMO Cc1c(C(=O)NCC[N@H+](C)C2CCCC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000264148168 549985315 /nfs/dbraw/zinc/98/53/15/549985315.db2.gz GZBKEZMTZAXOPB-UHFFFAOYSA-N 1 1 372.429 2.088 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000266068382 550016809 /nfs/dbraw/zinc/01/68/09/550016809.db2.gz CDASOUYOTIWXOF-HNNXBMFYSA-N 1 1 373.413 2.163 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000266068382 550016812 /nfs/dbraw/zinc/01/68/12/550016812.db2.gz CDASOUYOTIWXOF-HNNXBMFYSA-N 1 1 373.413 2.163 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268421074 550062793 /nfs/dbraw/zinc/06/27/93/550062793.db2.gz AYNGKFZLCOSFEX-UHFFFAOYSA-N 1 1 363.414 2.317 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCS[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000268975590 550139816 /nfs/dbraw/zinc/13/98/16/550139816.db2.gz OVKSCCFOZSRNIN-CZUORRHYSA-N 1 1 354.428 2.189 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000493573125 561456904 /nfs/dbraw/zinc/45/69/04/561456904.db2.gz NPGYFZYYMDWQAP-CQSZACIVSA-N 1 1 355.460 2.364 20 5 FEBDMO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270812976 550309351 /nfs/dbraw/zinc/30/93/51/550309351.db2.gz WUWXAELTSSHLSS-AAEUAGOBSA-N 1 1 350.329 2.103 20 5 FEBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270812976 550309353 /nfs/dbraw/zinc/30/93/53/550309353.db2.gz WUWXAELTSSHLSS-AAEUAGOBSA-N 1 1 350.329 2.103 20 5 FEBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000270947454 550324353 /nfs/dbraw/zinc/32/43/53/550324353.db2.gz LEDYWCJGHGKGHP-UHFFFAOYSA-N 1 1 353.419 2.398 20 5 FEBDMO C[N@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C(C)(C)C1 ZINC000270954880 550325190 /nfs/dbraw/zinc/32/51/90/550325190.db2.gz WDDOFPSTQHXPSJ-UHFFFAOYSA-N 1 1 360.458 2.364 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000494155950 561463626 /nfs/dbraw/zinc/46/36/26/561463626.db2.gz YTQGDYFICIPHQX-UHFFFAOYSA-N 1 1 370.365 2.052 20 5 FEBDMO C[N@@H+]1CC=C(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000271983929 550414753 /nfs/dbraw/zinc/41/47/53/550414753.db2.gz OUHBMDDJEWDBLK-UHFFFAOYSA-N 1 1 358.442 2.189 20 5 FEBDMO C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272463925 550450505 /nfs/dbraw/zinc/45/05/05/550450505.db2.gz CTKVGNGDAVNDHF-UHFFFAOYSA-N 1 1 359.382 2.171 20 5 FEBDMO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000272509801 550454753 /nfs/dbraw/zinc/45/47/53/550454753.db2.gz JWZZWXONMAGKDV-GUYCJALGSA-N 1 1 365.430 2.167 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000272509801 550454755 /nfs/dbraw/zinc/45/47/55/550454755.db2.gz JWZZWXONMAGKDV-GUYCJALGSA-N 1 1 365.430 2.167 20 5 FEBDMO COCC[N@@H+](Cc1ccco1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272965102 550478633 /nfs/dbraw/zinc/47/86/33/550478633.db2.gz AMECQRKQHMPALL-CQSZACIVSA-N 1 1 350.371 2.076 20 5 FEBDMO COCC[N@H+](Cc1ccco1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272965102 550478635 /nfs/dbraw/zinc/47/86/35/550478635.db2.gz AMECQRKQHMPALL-CQSZACIVSA-N 1 1 350.371 2.076 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000273479724 550500067 /nfs/dbraw/zinc/50/00/67/550500067.db2.gz UFSPFJGYWIDVJX-CQSZACIVSA-N 1 1 367.413 2.052 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000273479724 550500068 /nfs/dbraw/zinc/50/00/68/550500068.db2.gz UFSPFJGYWIDVJX-CQSZACIVSA-N 1 1 367.413 2.052 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000274913548 550564538 /nfs/dbraw/zinc/56/45/38/550564538.db2.gz KGYQPFXOWLXULL-OAHLLOKOSA-N 1 1 357.414 2.267 20 5 FEBDMO C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468245 550674179 /nfs/dbraw/zinc/67/41/79/550674179.db2.gz PJMXNUHHFOTNPD-GJZGRUSLSA-N 1 1 364.446 2.456 20 5 FEBDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823329 550825992 /nfs/dbraw/zinc/82/59/92/550825992.db2.gz CMPYZMNZVLQXIX-HZPDHXFCSA-N 1 1 368.821 2.125 20 5 FEBDMO Cc1c(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000278921947 550836274 /nfs/dbraw/zinc/83/62/74/550836274.db2.gz UBCHMSAZEGIGLY-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO Cc1c(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000278921947 550836277 /nfs/dbraw/zinc/83/62/77/550836277.db2.gz UBCHMSAZEGIGLY-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278968549 550841623 /nfs/dbraw/zinc/84/16/23/550841623.db2.gz XOXUFAUYCDHNLL-BBRMVZONSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278968549 550841625 /nfs/dbraw/zinc/84/16/25/550841625.db2.gz XOXUFAUYCDHNLL-BBRMVZONSA-N 1 1 353.444 2.156 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000279273673 550872100 /nfs/dbraw/zinc/87/21/00/550872100.db2.gz JRTIHDDGQXZCHW-UHFFFAOYSA-N 1 1 374.441 2.188 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000279273673 550872101 /nfs/dbraw/zinc/87/21/01/550872101.db2.gz JRTIHDDGQXZCHW-UHFFFAOYSA-N 1 1 374.441 2.188 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000279342868 550879758 /nfs/dbraw/zinc/87/97/58/550879758.db2.gz PXHUDKWANMJAFF-SJCJKPOMSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000279978860 550949019 /nfs/dbraw/zinc/94/90/19/550949019.db2.gz ZHYXKIZLASXNHC-STQMWFEESA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000279978860 550949020 /nfs/dbraw/zinc/94/90/20/550949020.db2.gz ZHYXKIZLASXNHC-STQMWFEESA-N 1 1 351.403 2.167 20 5 FEBDMO CN(C(=O)C[N@H+](C)[C@H](CC(N)=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000280320282 550980430 /nfs/dbraw/zinc/98/04/30/550980430.db2.gz GZILQLYSCMDKOQ-QGZVFWFLSA-N 1 1 370.409 2.106 20 5 FEBDMO CN(C(=O)C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000280320282 550980431 /nfs/dbraw/zinc/98/04/31/550980431.db2.gz GZILQLYSCMDKOQ-QGZVFWFLSA-N 1 1 370.409 2.106 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000281665785 551127772 /nfs/dbraw/zinc/12/77/72/551127772.db2.gz CVIMHOMYNZPRBM-UHFFFAOYSA-N 1 1 362.474 2.015 20 5 FEBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281894520 551154452 /nfs/dbraw/zinc/15/44/52/551154452.db2.gz BDHFHVFOSKPTNH-XNJGSVPQSA-N 1 1 361.398 2.197 20 5 FEBDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000283822711 551432927 /nfs/dbraw/zinc/43/29/27/551432927.db2.gz ZQNHKAMULABVAZ-CVEARBPZSA-N 1 1 367.409 2.248 20 5 FEBDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000283822711 551432930 /nfs/dbraw/zinc/43/29/30/551432930.db2.gz ZQNHKAMULABVAZ-CVEARBPZSA-N 1 1 367.409 2.248 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498549143 561527758 /nfs/dbraw/zinc/52/77/58/561527758.db2.gz GBTLKMFDFCJUQP-KBPBESRZSA-N 1 1 357.414 2.335 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC000498557991 561528464 /nfs/dbraw/zinc/52/84/64/561528464.db2.gz XNPZQASJBBJRIP-KBPBESRZSA-N 1 1 357.414 2.335 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000284898298 551662111 /nfs/dbraw/zinc/66/21/11/551662111.db2.gz RRNOFBVWVNONRE-SJORKVTESA-N 1 1 372.425 2.197 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000498709903 561532289 /nfs/dbraw/zinc/53/22/89/561532289.db2.gz MOYXJRJOWYEFCE-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285508406 551767461 /nfs/dbraw/zinc/76/74/61/551767461.db2.gz NUOBKRLAFGDXCM-HZPDHXFCSA-N 1 1 351.403 2.181 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)c2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000287692535 552034789 /nfs/dbraw/zinc/03/47/89/552034789.db2.gz JZPGSWGYGKOLDO-PHIMTYICSA-N 1 1 351.432 2.145 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)c2ncnc3sc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000287692535 552034791 /nfs/dbraw/zinc/03/47/91/552034791.db2.gz JZPGSWGYGKOLDO-PHIMTYICSA-N 1 1 351.432 2.145 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287841075 552053425 /nfs/dbraw/zinc/05/34/25/552053425.db2.gz RNWYJIOMNIMZTG-LLVKDONJSA-N 1 1 363.443 2.289 20 5 FEBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000288187017 552106517 /nfs/dbraw/zinc/10/65/17/552106517.db2.gz GCNAMFPVYHZFPG-GOSISDBHSA-N 1 1 361.442 2.239 20 5 FEBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500096293 561565807 /nfs/dbraw/zinc/56/58/07/561565807.db2.gz IHAGWESNHXDTCQ-MRXNPFEDSA-N 1 1 362.430 2.256 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000500151416 561566944 /nfs/dbraw/zinc/56/69/44/561566944.db2.gz AEJAWTOHNMISSA-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289590099 552345699 /nfs/dbraw/zinc/34/56/99/552345699.db2.gz PPMWYDWUPSZWRW-JLSDUUJJSA-N 1 1 362.426 2.368 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000289610725 552349098 /nfs/dbraw/zinc/34/90/98/552349098.db2.gz YIQVCDLCXIJJMS-QGZVFWFLSA-N 1 1 366.421 2.331 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000289809603 552382274 /nfs/dbraw/zinc/38/22/74/552382274.db2.gz NUODOKNVZNAFSK-CQSZACIVSA-N 1 1 363.462 2.305 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000289910827 552397927 /nfs/dbraw/zinc/39/79/27/552397927.db2.gz VAFKMVRBMXZDFF-ZDUSSCGKSA-N 1 1 364.446 2.466 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514302 552491015 /nfs/dbraw/zinc/49/10/15/552491015.db2.gz AYFOABAXOGXAHA-IUODEOHRSA-N 1 1 355.398 2.021 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290785738 552537644 /nfs/dbraw/zinc/53/76/44/552537644.db2.gz CRGRMSOQUXNJRK-GFCCVEGCSA-N 1 1 353.419 2.462 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000291232679 552603702 /nfs/dbraw/zinc/60/37/02/552603702.db2.gz ITTFUMLGCAEUHE-GXTWGEPZSA-N 1 1 362.430 2.037 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000291984696 552681570 /nfs/dbraw/zinc/68/15/70/552681570.db2.gz ZJDNHJRMHPMQHH-DOMZBBRYSA-N 1 1 357.414 2.273 20 5 FEBDMO O=C(C[N@@H+]1CCOC[C@@H](C2CCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292072477 552690836 /nfs/dbraw/zinc/69/08/36/552690836.db2.gz DTDCPTIYPSUVDI-INIZCTEOSA-N 1 1 359.426 2.232 20 5 FEBDMO O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292072477 552690837 /nfs/dbraw/zinc/69/08/37/552690837.db2.gz DTDCPTIYPSUVDI-INIZCTEOSA-N 1 1 359.426 2.232 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292091290 552693090 /nfs/dbraw/zinc/69/30/90/552693090.db2.gz SKJTZUQWDXCCAL-GFCCVEGCSA-N 1 1 371.434 2.229 20 5 FEBDMO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(N)=O ZINC000292284637 552712401 /nfs/dbraw/zinc/71/24/01/552712401.db2.gz SZTPNFNATYLRCU-SJCJKPOMSA-N 1 1 371.393 2.209 20 5 FEBDMO C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292354789 552719019 /nfs/dbraw/zinc/71/90/19/552719019.db2.gz PZGFDWVLFJNNDK-RDJZCZTQSA-N 1 1 363.458 2.141 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000292711982 552751947 /nfs/dbraw/zinc/75/19/47/552751947.db2.gz FFNVJKXIHKILII-OAHLLOKOSA-N 1 1 373.862 2.355 20 5 FEBDMO CC(C)[C@@]1(CO)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962702 552775137 /nfs/dbraw/zinc/77/51/37/552775137.db2.gz FVIVYWVQZBEGBX-QAPCUYQASA-N 1 1 352.431 2.065 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000293063153 552785486 /nfs/dbraw/zinc/78/54/86/552785486.db2.gz NQRTUCIFJBOSAX-SFHVURJKSA-N 1 1 365.430 2.272 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000293063153 552785488 /nfs/dbraw/zinc/78/54/88/552785488.db2.gz NQRTUCIFJBOSAX-SFHVURJKSA-N 1 1 365.430 2.272 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000293769627 552854758 /nfs/dbraw/zinc/85/47/58/552854758.db2.gz ARVBDQOGGRFNPF-JKSUJKDBSA-N 1 1 367.833 2.112 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294823096 552936865 /nfs/dbraw/zinc/93/68/65/552936865.db2.gz CUHDSOPNCYGSHK-ZDUSSCGKSA-N 1 1 357.414 2.399 20 5 FEBDMO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000294823096 552936866 /nfs/dbraw/zinc/93/68/66/552936866.db2.gz CUHDSOPNCYGSHK-ZDUSSCGKSA-N 1 1 357.414 2.399 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000294823096 552936867 /nfs/dbraw/zinc/93/68/67/552936867.db2.gz CUHDSOPNCYGSHK-ZDUSSCGKSA-N 1 1 357.414 2.399 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295279039 552980575 /nfs/dbraw/zinc/98/05/75/552980575.db2.gz FOTPLRBXANCLMB-CYBMUJFWSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295279039 552980577 /nfs/dbraw/zinc/98/05/77/552980577.db2.gz FOTPLRBXANCLMB-CYBMUJFWSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295296914 552983263 /nfs/dbraw/zinc/98/32/63/552983263.db2.gz JAUXTXLKEUATPH-JTQLQIEISA-N 1 1 361.427 2.156 20 5 FEBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295462932 553010714 /nfs/dbraw/zinc/01/07/14/553010714.db2.gz QHLQPDIQSHJIGG-WMZOPIPTSA-N 1 1 372.425 2.197 20 5 FEBDMO C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@H+](C2CC2)C1 ZINC000296866364 553222479 /nfs/dbraw/zinc/22/24/79/553222479.db2.gz ZHFKLSGBPSRGAP-ZDUSSCGKSA-N 1 1 364.421 2.479 20 5 FEBDMO C[C@@H]1CN(C2CC2)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000296866364 553222481 /nfs/dbraw/zinc/22/24/81/553222481.db2.gz ZHFKLSGBPSRGAP-ZDUSSCGKSA-N 1 1 364.421 2.479 20 5 FEBDMO C[C@@H]1CN(C2CC2)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000296866364 553222483 /nfs/dbraw/zinc/22/24/83/553222483.db2.gz ZHFKLSGBPSRGAP-ZDUSSCGKSA-N 1 1 364.421 2.479 20 5 FEBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1CCc2sccc2C1 ZINC000298297888 553409543 /nfs/dbraw/zinc/40/95/43/553409543.db2.gz LASZLTOOWPKPQD-JTQLQIEISA-N 1 1 361.427 2.009 20 5 FEBDMO Cc1noc(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000298468764 553428441 /nfs/dbraw/zinc/42/84/41/553428441.db2.gz OPRGQFRNVMEZEO-UHFFFAOYSA-N 1 1 358.358 2.058 20 5 FEBDMO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@H+]1CCC[C@@H](C)C1 ZINC000298530776 553436551 /nfs/dbraw/zinc/43/65/51/553436551.db2.gz WUQPLTCCWYUYSF-CHWSQXEVSA-N 1 1 363.414 2.216 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000298562627 553441257 /nfs/dbraw/zinc/44/12/57/553441257.db2.gz PPSDJXMJWPHDMI-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO COC(=O)CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000299217995 553532495 /nfs/dbraw/zinc/53/24/95/553532495.db2.gz IEGYUOPGNCYFBO-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](CO)CC(C)C ZINC000299223154 553533061 /nfs/dbraw/zinc/53/30/61/553533061.db2.gz HZRLWIJAPKZGSH-AWEZNQCLSA-N 1 1 353.419 2.271 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000299302429 553545043 /nfs/dbraw/zinc/54/50/43/553545043.db2.gz KQSKBZPGDVBHTB-UXLLHSPISA-N 1 1 361.442 2.238 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000299302429 553545045 /nfs/dbraw/zinc/54/50/45/553545045.db2.gz KQSKBZPGDVBHTB-UXLLHSPISA-N 1 1 361.442 2.238 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301162606 553627435 /nfs/dbraw/zinc/62/74/35/553627435.db2.gz HQRIEHOPBJTVAH-LBPRGKRZSA-N 1 1 370.475 2.165 20 5 FEBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000301617530 553666149 /nfs/dbraw/zinc/66/61/49/553666149.db2.gz KMVAKUYMXUDAIE-OCCSQVGLSA-N 1 1 355.398 2.164 20 5 FEBDMO CNC(=O)c1ccc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000301660194 553669628 /nfs/dbraw/zinc/66/96/28/553669628.db2.gz CFZLPRACNNFUKW-ZDUSSCGKSA-N 1 1 357.414 2.147 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301792524 553679646 /nfs/dbraw/zinc/67/96/46/553679646.db2.gz RGTYWYRMAPTFJA-GUYCJALGSA-N 1 1 358.442 2.408 20 5 FEBDMO C[C@](O)(CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000302006674 553697633 /nfs/dbraw/zinc/69/76/33/553697633.db2.gz AJRBENGGZKMFBE-AWEZNQCLSA-N 1 1 364.229 2.397 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000302800557 553733692 /nfs/dbraw/zinc/73/36/92/553733692.db2.gz CBHWOULOYDEAGZ-HNNXBMFYSA-N 1 1 366.849 2.299 20 5 FEBDMO CCC(CC)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000326519941 553780986 /nfs/dbraw/zinc/78/09/86/553780986.db2.gz DLVTVXVTNXBEDR-AWEZNQCLSA-N 1 1 361.439 2.379 20 5 FEBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000331235678 554234803 /nfs/dbraw/zinc/23/48/03/554234803.db2.gz SXQRBJZXVKXRAN-OAHLLOKOSA-N 1 1 369.487 2.479 20 5 FEBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CNS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000331235678 554234805 /nfs/dbraw/zinc/23/48/05/554234805.db2.gz SXQRBJZXVKXRAN-OAHLLOKOSA-N 1 1 369.487 2.479 20 5 FEBDMO O=C(CC[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621654 554296945 /nfs/dbraw/zinc/29/69/45/554296945.db2.gz FHZPJDMULLQVSM-LSDHHAIUSA-N 1 1 351.428 2.130 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000332243475 554408305 /nfs/dbraw/zinc/40/83/05/554408305.db2.gz AGJBHKOPODDUFR-OLZOCXBDSA-N 1 1 359.835 2.153 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000332337587 554428434 /nfs/dbraw/zinc/42/84/34/554428434.db2.gz WDZHPFVRAZPWOT-HUUCEWRRSA-N 1 1 370.247 2.262 20 5 FEBDMO COC(=O)c1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000332526145 554462930 /nfs/dbraw/zinc/46/29/30/554462930.db2.gz OUZZRNAOJKSGOI-DOMZBBRYSA-N 1 1 361.398 2.080 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000332569064 554473612 /nfs/dbraw/zinc/47/36/12/554473612.db2.gz CITFZGXIRIWATG-OCCSQVGLSA-N 1 1 353.444 2.069 20 5 FEBDMO COC(=O)c1ccc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511089726 561856363 /nfs/dbraw/zinc/85/63/63/561856363.db2.gz GWLJYVIIWJGTAS-UHFFFAOYSA-N 1 1 371.393 2.494 20 5 FEBDMO COC(=O)c1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000511089726 561856364 /nfs/dbraw/zinc/85/63/64/561856364.db2.gz GWLJYVIIWJGTAS-UHFFFAOYSA-N 1 1 371.393 2.494 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000361110197 554904990 /nfs/dbraw/zinc/90/49/90/554904990.db2.gz VOVHROHWXDRCTD-XHDPSFHLSA-N 1 1 352.822 2.213 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000511491546 561870768 /nfs/dbraw/zinc/87/07/68/561870768.db2.gz GOKFKUQLECLAIK-MCKRRDHZSA-N 1 1 361.442 2.471 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](n2cnc3ccccc32)C1 ZINC000362709311 554983166 /nfs/dbraw/zinc/98/31/66/554983166.db2.gz DQFKXYVVHLQZKI-OAHLLOKOSA-N 1 1 367.409 2.443 20 5 FEBDMO Cc1cc(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363257804 555065636 /nfs/dbraw/zinc/06/56/36/555065636.db2.gz BAFDXXXRLWUIHS-JLJPHGGASA-N 1 1 365.455 2.008 20 5 FEBDMO Cn1cccc1C(=O)NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000363452578 555108965 /nfs/dbraw/zinc/10/89/65/555108965.db2.gz JLYQVMIJFDFUNQ-UHFFFAOYSA-N 1 1 360.389 2.467 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363632844 555151105 /nfs/dbraw/zinc/15/11/05/555151105.db2.gz JRBVFUAHOIEYFE-IRXDYDNUSA-N 1 1 360.414 2.009 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363632844 555151106 /nfs/dbraw/zinc/15/11/06/555151106.db2.gz JRBVFUAHOIEYFE-IRXDYDNUSA-N 1 1 360.414 2.009 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363648434 555154381 /nfs/dbraw/zinc/15/43/81/555154381.db2.gz KDMCXHLEZDFGFR-UHFFFAOYSA-N 1 1 355.822 2.433 20 5 FEBDMO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000364074905 555245033 /nfs/dbraw/zinc/24/50/33/555245033.db2.gz USYKVIAEYBVAGB-HNNXBMFYSA-N 1 1 371.441 2.442 20 5 FEBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000364201004 555268142 /nfs/dbraw/zinc/26/81/42/555268142.db2.gz MFVQWNLQCBZUGP-CQSZACIVSA-N 1 1 369.425 2.309 20 5 FEBDMO COCCC[N@H+]1CCCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000364312691 555289384 /nfs/dbraw/zinc/28/93/84/555289384.db2.gz ZLJYZCPHPQHIHQ-UHFFFAOYSA-N 1 1 362.430 2.028 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000364581407 555344567 /nfs/dbraw/zinc/34/45/67/555344567.db2.gz QHKQLYDTKNMWBP-JYJNAYRXSA-N 1 1 359.426 2.468 20 5 FEBDMO O=C(N[C@@H]1CCc2[nH]cnc2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365205701 555510662 /nfs/dbraw/zinc/51/06/62/555510662.db2.gz SYAIHFHEWBSYQG-ZCFIWIBFSA-N 1 1 371.216 2.429 20 5 FEBDMO CCOC(=O)c1ccnc(N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000365534989 555602053 /nfs/dbraw/zinc/60/20/53/555602053.db2.gz PMFZYAISFRZIQE-LBPRGKRZSA-N 1 1 359.386 2.284 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365550003 555606510 /nfs/dbraw/zinc/60/65/10/555606510.db2.gz SNKBPUVQYFMSOF-UWWQBHOKSA-N 1 1 358.442 2.258 20 5 FEBDMO Cc1cc(C2=CC[N@H+](C[C@H](C)CS(C)(=O)=O)CC2)cc([N+](=O)[O-])c1N ZINC000365974384 555714908 /nfs/dbraw/zinc/71/49/08/555714908.db2.gz MHGKAFPKPPOLPD-LBPRGKRZSA-N 1 1 367.471 2.255 20 5 FEBDMO Cc1cc(C2=CC[N@@H+](C[C@H](C)CS(C)(=O)=O)CC2)cc([N+](=O)[O-])c1N ZINC000365974384 555714911 /nfs/dbraw/zinc/71/49/11/555714911.db2.gz MHGKAFPKPPOLPD-LBPRGKRZSA-N 1 1 367.471 2.255 20 5 FEBDMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366197445 555778521 /nfs/dbraw/zinc/77/85/21/555778521.db2.gz SIWFSVVHHIZCEF-OAHLLOKOSA-N 1 1 355.398 2.027 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366555597 555875135 /nfs/dbraw/zinc/87/51/35/555875135.db2.gz FSJGAQLMWZBNCA-OLZOCXBDSA-N 1 1 365.434 2.160 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366555597 555875139 /nfs/dbraw/zinc/87/51/39/555875139.db2.gz FSJGAQLMWZBNCA-OLZOCXBDSA-N 1 1 365.434 2.160 20 5 FEBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000367288182 556008637 /nfs/dbraw/zinc/00/86/37/556008637.db2.gz VJGVQOWNKXGGHX-LLVKDONJSA-N 1 1 363.748 2.083 20 5 FEBDMO CNc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc1[N+](=O)[O-] ZINC000514770104 561978436 /nfs/dbraw/zinc/97/84/36/561978436.db2.gz LADNNSHKLDIESK-INIZCTEOSA-N 1 1 370.409 2.455 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830698 556149506 /nfs/dbraw/zinc/14/95/06/556149506.db2.gz IHWDFFPQHLRFEN-NVXWUHKLSA-N 1 1 363.458 2.283 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3F)[C@@H]2C1 ZINC000514953504 561988557 /nfs/dbraw/zinc/98/85/57/561988557.db2.gz XVUCNYIJWJUEOO-XJKSGUPXSA-N 1 1 364.421 2.101 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000368054312 556205556 /nfs/dbraw/zinc/20/55/56/556205556.db2.gz KHGCMDAYMQCWBA-GOSISDBHSA-N 1 1 365.430 2.272 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000368054312 556205557 /nfs/dbraw/zinc/20/55/57/556205557.db2.gz KHGCMDAYMQCWBA-GOSISDBHSA-N 1 1 365.430 2.272 20 5 FEBDMO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000368101601 556219112 /nfs/dbraw/zinc/21/91/12/556219112.db2.gz ZVHVAOVONIXBRU-ITDIGPHOSA-N 1 1 351.353 2.429 20 5 FEBDMO O=C([C@@H]1CCCc2[nH+]ccn21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000368121683 556223961 /nfs/dbraw/zinc/22/39/61/556223961.db2.gz DQCUKJXDWOCXCO-INIZCTEOSA-N 1 1 355.398 2.018 20 5 FEBDMO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369006922 556473925 /nfs/dbraw/zinc/47/39/25/556473925.db2.gz FBXIXJNFEVYVNK-WBVHZDCISA-N 1 1 357.414 2.258 20 5 FEBDMO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369006922 556473930 /nfs/dbraw/zinc/47/39/30/556473930.db2.gz FBXIXJNFEVYVNK-WBVHZDCISA-N 1 1 357.414 2.258 20 5 FEBDMO O=C1C[C@@H]([N@@H+]2CC[C@@H](c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000369181442 556527984 /nfs/dbraw/zinc/52/79/84/556527984.db2.gz YOVSDOWXMZESHC-IUODEOHRSA-N 1 1 355.350 2.309 20 5 FEBDMO O=C1C[C@@H]([N@H+]2CC[C@@H](c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000369181442 556527985 /nfs/dbraw/zinc/52/79/85/556527985.db2.gz YOVSDOWXMZESHC-IUODEOHRSA-N 1 1 355.350 2.309 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000369412120 556594979 /nfs/dbraw/zinc/59/49/79/556594979.db2.gz PAULZJDCFOLTQZ-MRXNPFEDSA-N 1 1 352.866 2.460 20 5 FEBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@@H]1c1cccs1 ZINC000369560301 556631528 /nfs/dbraw/zinc/63/15/28/556631528.db2.gz GBIQADBWCOEUKB-QMTHXVAHSA-N 1 1 361.427 2.255 20 5 FEBDMO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000516548913 562047278 /nfs/dbraw/zinc/04/72/78/562047278.db2.gz PIXNVXPMOGZZDT-RDGPPVDQSA-N 1 1 373.453 2.458 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000370034914 556762931 /nfs/dbraw/zinc/76/29/31/556762931.db2.gz BIRCHONSPHFVCF-UHFFFAOYSA-N 1 1 357.414 2.496 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000370034914 556762933 /nfs/dbraw/zinc/76/29/33/556762933.db2.gz BIRCHONSPHFVCF-UHFFFAOYSA-N 1 1 357.414 2.496 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(c4nnc[nH]4)CC3)n2)c1 ZINC000370236801 556818946 /nfs/dbraw/zinc/81/89/46/556818946.db2.gz UOOZVKSZHSGXNY-UHFFFAOYSA-N 1 1 355.358 2.143 20 5 FEBDMO O=C(CC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000370310110 556836566 /nfs/dbraw/zinc/83/65/66/556836566.db2.gz XREGGUUPOWYMOY-QGZVFWFLSA-N 1 1 374.441 2.400 20 5 FEBDMO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000370927376 557019298 /nfs/dbraw/zinc/01/92/98/557019298.db2.gz IASNJQHMQRMEPH-KSSFIOAISA-N 1 1 371.441 2.450 20 5 FEBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371533083 557212303 /nfs/dbraw/zinc/21/23/03/557212303.db2.gz DDBSQRBRMYHZLZ-SCRDCRAPSA-N 1 1 373.438 2.156 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000518020872 562102654 /nfs/dbraw/zinc/10/26/54/562102654.db2.gz UTKJTSUWGOBOLJ-UHFFFAOYSA-N 1 1 360.414 2.098 20 5 FEBDMO C[C@H](NC(=O)C1([NH+]2CCN(C)CC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000371819466 557302952 /nfs/dbraw/zinc/30/29/52/557302952.db2.gz ULNRDFZWVHOAQS-HNNXBMFYSA-N 1 1 360.458 2.332 20 5 FEBDMO C[C@H](NC(=O)C1(N2CC[NH+](C)CC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000371819466 557302958 /nfs/dbraw/zinc/30/29/58/557302958.db2.gz ULNRDFZWVHOAQS-HNNXBMFYSA-N 1 1 360.458 2.332 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372158193 557395389 /nfs/dbraw/zinc/39/53/89/557395389.db2.gz UAJZGXPARYXXKK-KGLIPLIRSA-N 1 1 363.414 2.290 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000372294408 557432693 /nfs/dbraw/zinc/43/26/93/557432693.db2.gz NBYKKKGXSUOOAX-OAHLLOKOSA-N 1 1 369.377 2.283 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000372294408 557432694 /nfs/dbraw/zinc/43/26/94/557432694.db2.gz NBYKKKGXSUOOAX-OAHLLOKOSA-N 1 1 369.377 2.283 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000372465745 557478051 /nfs/dbraw/zinc/47/80/51/557478051.db2.gz WTYHQSRPXZGSIN-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000372951328 557595267 /nfs/dbraw/zinc/59/52/67/557595267.db2.gz WGLZXLZKKJXXPE-HZPDHXFCSA-N 1 1 374.441 2.059 20 5 FEBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000373095212 557627873 /nfs/dbraw/zinc/62/78/73/557627873.db2.gz OTUNRJVJHPZOKQ-UHFFFAOYSA-N 1 1 370.409 2.352 20 5 FEBDMO Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582807 557722628 /nfs/dbraw/zinc/72/26/28/557722628.db2.gz IAILUYXCMQWSKS-NVXWUHKLSA-N 1 1 360.414 2.177 20 5 FEBDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)on1 ZINC000373727528 557746280 /nfs/dbraw/zinc/74/62/80/557746280.db2.gz LJKKIDJAJDHWOW-UHFFFAOYSA-N 1 1 373.413 2.210 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H]1CCCN1c1cccnn1 ZINC000373765136 557754081 /nfs/dbraw/zinc/75/40/81/557754081.db2.gz GWTRQVBAAYTVCB-MRXNPFEDSA-N 1 1 357.414 2.494 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373809616 557764446 /nfs/dbraw/zinc/76/44/46/557764446.db2.gz JVCKAHRIFDJRGP-KBXCAEBGSA-N 1 1 363.414 2.193 20 5 FEBDMO CCOC(=O)C1(COC)CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000374016245 557808335 /nfs/dbraw/zinc/80/83/35/557808335.db2.gz BKRVVQREFDWIRP-UHFFFAOYSA-N 1 1 366.414 2.395 20 5 FEBDMO O=C1[C@H]([NH+]2CCC([C@@H]3CCOC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374604960 557905649 /nfs/dbraw/zinc/90/56/49/557905649.db2.gz OOHFLYHSJQFVEA-CRAIPNDOSA-N 1 1 359.426 2.449 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000374755570 557926097 /nfs/dbraw/zinc/92/60/97/557926097.db2.gz SBUNNEVYDKTQAK-INIZCTEOSA-N 1 1 365.393 2.490 20 5 FEBDMO C[C@H]([C@H]1CN(Cc2ccccc2)CCO1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000374896625 557947440 /nfs/dbraw/zinc/94/74/40/557947440.db2.gz OZZSAFNZFGIRCQ-SJLPKXTDSA-N 1 1 373.457 2.013 20 5 FEBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000374967337 557957335 /nfs/dbraw/zinc/95/73/35/557957335.db2.gz AXXRAPNIRRJKJQ-BZUAXINKSA-N 1 1 369.425 2.348 20 5 FEBDMO O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1n[nH]cc1[N+](=O)[O-] ZINC000374967337 557957337 /nfs/dbraw/zinc/95/73/37/557957337.db2.gz AXXRAPNIRRJKJQ-BZUAXINKSA-N 1 1 369.425 2.348 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375105427 557979004 /nfs/dbraw/zinc/97/90/04/557979004.db2.gz MNKFDFGUBIPMPW-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)cc1C ZINC000375114647 557980038 /nfs/dbraw/zinc/98/00/38/557980038.db2.gz RHFSZPIKLUGAHH-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375318556 558008269 /nfs/dbraw/zinc/00/82/69/558008269.db2.gz KICWTODZGNXJJQ-SMDDNHRTSA-N 1 1 355.358 2.244 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375318556 558008270 /nfs/dbraw/zinc/00/82/70/558008270.db2.gz KICWTODZGNXJJQ-SMDDNHRTSA-N 1 1 355.358 2.244 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H](O)c3cc(F)ccc3F)C2)c1 ZINC000375406066 558021667 /nfs/dbraw/zinc/02/16/67/558021667.db2.gz UFDGJOBVDCISBF-LRDDRELGSA-N 1 1 352.341 2.440 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H](O)c3cc(F)ccc3F)C2)c1 ZINC000375406066 558021668 /nfs/dbraw/zinc/02/16/68/558021668.db2.gz UFDGJOBVDCISBF-LRDDRELGSA-N 1 1 352.341 2.440 20 5 FEBDMO Cc1ncccc1O[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000375457542 558030514 /nfs/dbraw/zinc/03/05/14/558030514.db2.gz KGPVLIQQNGWAOW-HNNXBMFYSA-N 1 1 356.382 2.050 20 5 FEBDMO Cc1ncccc1O[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000375457542 558030516 /nfs/dbraw/zinc/03/05/16/558030516.db2.gz KGPVLIQQNGWAOW-HNNXBMFYSA-N 1 1 356.382 2.050 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000375828037 558085851 /nfs/dbraw/zinc/08/58/51/558085851.db2.gz ARNNNRVZXQKVMQ-INIZCTEOSA-N 1 1 372.429 2.378 20 5 FEBDMO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376325435 558158083 /nfs/dbraw/zinc/15/80/83/558158083.db2.gz QWKRYWZJLICPGU-FZKCQIBNSA-N 1 1 363.462 2.321 20 5 FEBDMO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376325435 558158085 /nfs/dbraw/zinc/15/80/85/558158085.db2.gz QWKRYWZJLICPGU-FZKCQIBNSA-N 1 1 363.462 2.321 20 5 FEBDMO O=c1[nH]c(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000376399010 558168217 /nfs/dbraw/zinc/16/82/17/558168217.db2.gz WWKPSAMSSAFOJX-HZPDHXFCSA-N 1 1 373.413 2.299 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]21 ZINC000376971119 558246324 /nfs/dbraw/zinc/24/63/24/558246324.db2.gz FVIBRDMQGJPABW-MLGOLLRUSA-N 1 1 350.394 2.089 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000377985221 558458159 /nfs/dbraw/zinc/45/81/59/558458159.db2.gz CWRGKHMRWUGJKE-ZDUSSCGKSA-N 1 1 363.414 2.363 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378422049 558553088 /nfs/dbraw/zinc/55/30/88/558553088.db2.gz AKKYXVWCWKEUGX-GOSISDBHSA-N 1 1 362.474 2.204 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](O)c3ccccc3C2)c1 ZINC000378495749 558569851 /nfs/dbraw/zinc/56/98/51/558569851.db2.gz MLYHAZUWIMOACI-LPHOPBHVSA-N 1 1 358.394 2.274 20 5 FEBDMO COc1ccc(CC(=O)NCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000524315209 562226937 /nfs/dbraw/zinc/22/69/37/562226937.db2.gz SDDHYJCQYXTTNI-UHFFFAOYSA-N 1 1 369.421 2.320 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1OC ZINC000524774935 562234496 /nfs/dbraw/zinc/23/44/96/562234496.db2.gz JSGYHKGFLABZLV-LBPRGKRZSA-N 1 1 351.403 2.074 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000411626478 558931589 /nfs/dbraw/zinc/93/15/89/558931589.db2.gz WTMYHNAUXKJHMH-ZENOOKHLSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000411652560 558936341 /nfs/dbraw/zinc/93/63/41/558936341.db2.gz UUTUXXCNLSYXER-KGLIPLIRSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000525819732 562256236 /nfs/dbraw/zinc/25/62/36/562256236.db2.gz RSHBBKAJMQYAIO-SNVBAGLBSA-N 1 1 361.851 2.177 20 5 FEBDMO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000411960446 558995684 /nfs/dbraw/zinc/99/56/84/558995684.db2.gz YUNNWKAKLQTJJX-HKUYNNGSSA-N 1 1 367.405 2.292 20 5 FEBDMO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000411960446 558995685 /nfs/dbraw/zinc/99/56/85/558995685.db2.gz YUNNWKAKLQTJJX-HKUYNNGSSA-N 1 1 367.405 2.292 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412132447 559016257 /nfs/dbraw/zinc/01/62/57/559016257.db2.gz MGTSDFSYOVFLJG-RBUKOAKNSA-N 1 1 374.485 2.088 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000418996199 559424821 /nfs/dbraw/zinc/42/48/21/559424821.db2.gz JTRMIUSIIOORTC-CHWSQXEVSA-N 1 1 360.414 2.043 20 5 FEBDMO O=C1[C@@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420333013 559481347 /nfs/dbraw/zinc/48/13/47/559481347.db2.gz HDIXXVNFBKXREM-MSOLQXFVSA-N 1 1 358.442 2.164 20 5 FEBDMO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000421700429 559549833 /nfs/dbraw/zinc/54/98/33/559549833.db2.gz DVSSJPKEHYQVCJ-JTQLQIEISA-N 1 1 373.356 2.371 20 5 FEBDMO Cn1ccnc1[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000423537946 559631457 /nfs/dbraw/zinc/63/14/57/559631457.db2.gz FBKGYCAQPUILAQ-BVIKNXMNSA-N 1 1 355.442 2.395 20 5 FEBDMO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000423623174 559634161 /nfs/dbraw/zinc/63/41/61/559634161.db2.gz BKKOXHGFAGHULF-MRXNPFEDSA-N 1 1 357.414 2.238 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000425025608 559684241 /nfs/dbraw/zinc/68/42/41/559684241.db2.gz VZIVTHHJQOFEES-DLBZAZTESA-N 1 1 361.442 2.268 20 5 FEBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425409484 559700750 /nfs/dbraw/zinc/70/07/50/559700750.db2.gz WDCZDSHUZFBQDM-NSHDSACASA-N 1 1 356.220 2.315 20 5 FEBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425409484 559700751 /nfs/dbraw/zinc/70/07/51/559700751.db2.gz WDCZDSHUZFBQDM-NSHDSACASA-N 1 1 356.220 2.315 20 5 FEBDMO CC[C@@H](C)[C@@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000429258241 559794071 /nfs/dbraw/zinc/79/40/71/559794071.db2.gz GSAVEZHIJZFEOS-MLGOLLRUSA-N 1 1 365.430 2.123 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000430210749 559815374 /nfs/dbraw/zinc/81/53/74/559815374.db2.gz FGCQZPGRTVOAIL-NSHDSACASA-N 1 1 361.320 2.104 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCO1 ZINC000432549172 559860790 /nfs/dbraw/zinc/86/07/90/559860790.db2.gz HVLZOXMBHRCMCN-CYBMUJFWSA-N 1 1 360.414 2.307 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000434348724 559898510 /nfs/dbraw/zinc/89/85/10/559898510.db2.gz DHJJSSAWQZXUCZ-INIZCTEOSA-N 1 1 374.441 2.384 20 5 FEBDMO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000434909750 559912105 /nfs/dbraw/zinc/91/21/05/559912105.db2.gz PXGKAULAPIMZIR-OALUTQOASA-N 1 1 358.442 2.497 20 5 FEBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000439475802 559995173 /nfs/dbraw/zinc/99/51/73/559995173.db2.gz FNARGMLZMCYZOH-GOSISDBHSA-N 1 1 366.414 2.395 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000440094463 560004680 /nfs/dbraw/zinc/00/46/80/560004680.db2.gz VRAFDVLMKJOUER-JSGCOSHPSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1c(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000440508774 560012944 /nfs/dbraw/zinc/01/29/44/560012944.db2.gz FENZCNFUJANOSM-FQEVSTJZSA-N 1 1 369.421 2.270 20 5 FEBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000440516646 560013333 /nfs/dbraw/zinc/01/33/33/560013333.db2.gz UHXRVZZALXDYIV-LJQANCHMSA-N 1 1 373.384 2.101 20 5 FEBDMO CNS(=O)(=O)c1ccc(NCC[N@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443963816 560097488 /nfs/dbraw/zinc/09/74/88/560097488.db2.gz PGGOFQSPLHUNNX-UHFFFAOYSA-N 1 1 370.475 2.037 20 5 FEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191886 560130561 /nfs/dbraw/zinc/13/05/61/560130561.db2.gz YCEOWBWCAAKWLQ-DOMZBBRYSA-N 1 1 356.382 2.261 20 5 FEBDMO COc1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000448579441 560190854 /nfs/dbraw/zinc/19/08/54/560190854.db2.gz JEDXHHYJZUMWAU-ZDUSSCGKSA-N 1 1 351.334 2.368 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448726841 560196746 /nfs/dbraw/zinc/19/67/46/560196746.db2.gz VGXFBQYRPPQKHP-GJZGRUSLSA-N 1 1 355.398 2.137 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000448895154 560205432 /nfs/dbraw/zinc/20/54/32/560205432.db2.gz NLDDZGCOFZUSOC-UHFFFAOYSA-N 1 1 357.414 2.337 20 5 FEBDMO C[NH+](C)CC1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)CC1 ZINC000448974252 560209721 /nfs/dbraw/zinc/20/97/21/560209721.db2.gz JNPFFHZLORPZJX-UHFFFAOYSA-N 1 1 357.414 2.399 20 5 FEBDMO CC[C@H](CO)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449374413 560227642 /nfs/dbraw/zinc/22/76/42/560227642.db2.gz AKXSHFSJQAGLGZ-LLVKDONJSA-N 1 1 364.183 2.402 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@](O)(C(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449474439 560231253 /nfs/dbraw/zinc/23/12/53/560231253.db2.gz RXTIZDANNVQDQD-MRXNPFEDSA-N 1 1 352.341 2.197 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449576426 560233950 /nfs/dbraw/zinc/23/39/50/560233950.db2.gz SXVOAEUEZJGWTK-BMIGLBTASA-N 1 1 359.785 2.176 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449914502 560245168 /nfs/dbraw/zinc/24/51/68/560245168.db2.gz VHADCFSAXBDMBA-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931150 560245618 /nfs/dbraw/zinc/24/56/18/560245618.db2.gz NWWPSJHCIVUFDP-ZFWWWQNUSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H](C)C1 ZINC000450096237 560250579 /nfs/dbraw/zinc/25/05/79/560250579.db2.gz GOCDAFRVMGKSFQ-ZFWWWQNUSA-N 1 1 357.414 2.239 20 5 FEBDMO COCC[N@H+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C[C@H]1C ZINC000450313091 560258116 /nfs/dbraw/zinc/25/81/16/560258116.db2.gz OXMGFIOUXZFEJQ-CYBMUJFWSA-N 1 1 360.414 2.309 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)C1 ZINC000450336806 560259003 /nfs/dbraw/zinc/25/90/03/560259003.db2.gz BKZVCABAGJLTBO-ZFWWWQNUSA-N 1 1 361.446 2.442 20 5 FEBDMO CC[N@H+](CC(=O)OC(C)(C)C)C1CC(Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450491862 560263908 /nfs/dbraw/zinc/26/39/08/560263908.db2.gz YCXMOADZXGAUPR-UHFFFAOYSA-N 1 1 365.434 2.300 20 5 FEBDMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CC(Nc2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000450491862 560263909 /nfs/dbraw/zinc/26/39/09/560263909.db2.gz YCXMOADZXGAUPR-UHFFFAOYSA-N 1 1 365.434 2.300 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000450830504 560275086 /nfs/dbraw/zinc/27/50/86/560275086.db2.gz ODBFCXJEWODWSX-OAHLLOKOSA-N 1 1 371.441 2.480 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000450830504 560275087 /nfs/dbraw/zinc/27/50/87/560275087.db2.gz ODBFCXJEWODWSX-OAHLLOKOSA-N 1 1 371.441 2.480 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451357821 560302408 /nfs/dbraw/zinc/30/24/08/560302408.db2.gz ZAINKDGLENSPAD-KYHPRHEASA-N 1 1 364.442 2.350 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409267 560305201 /nfs/dbraw/zinc/30/52/01/560305201.db2.gz AESAEOUJQDVBCI-JZXOWHBKSA-N 1 1 359.426 2.109 20 5 FEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@@H](O)COC3CCOCC3)C2)cc1 ZINC000451543481 560313655 /nfs/dbraw/zinc/31/36/55/560313655.db2.gz BYYMXQVWZADCLI-SJLPKXTDSA-N 1 1 364.442 2.331 20 5 FEBDMO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451580110 560315918 /nfs/dbraw/zinc/31/59/18/560315918.db2.gz ZMSFYKFDEWIFFE-OAHLLOKOSA-N 1 1 362.430 2.256 20 5 FEBDMO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451580110 560315919 /nfs/dbraw/zinc/31/59/19/560315919.db2.gz ZMSFYKFDEWIFFE-OAHLLOKOSA-N 1 1 362.430 2.256 20 5 FEBDMO CC1(C)CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000451756431 560326830 /nfs/dbraw/zinc/32/68/30/560326830.db2.gz MUKLQBAWMMDFMV-XMMPIXPASA-N 1 1 353.444 2.156 20 5 FEBDMO CC1(C)CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[S@]1=O ZINC000451756431 560326831 /nfs/dbraw/zinc/32/68/31/560326831.db2.gz MUKLQBAWMMDFMV-XMMPIXPASA-N 1 1 353.444 2.156 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451814220 560330314 /nfs/dbraw/zinc/33/03/14/560330314.db2.gz SYKZRDXAKSYMEG-CHWSQXEVSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451814220 560330315 /nfs/dbraw/zinc/33/03/15/560330315.db2.gz SYKZRDXAKSYMEG-CHWSQXEVSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451896447 560335574 /nfs/dbraw/zinc/33/55/74/560335574.db2.gz GFPOQVHQJQMUGE-ACJLOTCBSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451896447 560335575 /nfs/dbraw/zinc/33/55/75/560335575.db2.gz GFPOQVHQJQMUGE-ACJLOTCBSA-N 1 1 363.414 2.433 20 5 FEBDMO CCN1CC[NH+](CCC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000452845818 560376091 /nfs/dbraw/zinc/37/60/91/560376091.db2.gz JTCCJOKDNNJNAH-SFHVURJKSA-N 1 1 374.485 2.328 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000456343300 560516292 /nfs/dbraw/zinc/51/62/92/560516292.db2.gz CQIHIIDOKGVMMW-CQSZACIVSA-N 1 1 357.414 2.337 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000456343300 560516293 /nfs/dbraw/zinc/51/62/93/560516293.db2.gz CQIHIIDOKGVMMW-CQSZACIVSA-N 1 1 357.414 2.337 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456351239 560516808 /nfs/dbraw/zinc/51/68/08/560516808.db2.gz MEUBWHLPAZIILO-AWEZNQCLSA-N 1 1 357.414 2.337 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456351239 560516809 /nfs/dbraw/zinc/51/68/09/560516809.db2.gz MEUBWHLPAZIILO-AWEZNQCLSA-N 1 1 357.414 2.337 20 5 FEBDMO C[N@@H+](CCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000457205443 560555833 /nfs/dbraw/zinc/55/58/33/560555833.db2.gz QSWFOMSRYRZGGU-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO Cn1cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000458176581 560606912 /nfs/dbraw/zinc/60/69/12/560606912.db2.gz UKXIZBWNYWXSLS-CQSZACIVSA-N 1 1 371.441 2.457 20 5 FEBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000458511507 560628792 /nfs/dbraw/zinc/62/87/92/560628792.db2.gz PQGZBHNMSGBRAR-GDBMZVCRSA-N 1 1 364.446 2.110 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461783015 560783140 /nfs/dbraw/zinc/78/31/40/560783140.db2.gz CKLPMPSLIFPMIJ-UHFFFAOYSA-N 1 1 352.410 2.445 20 5 FEBDMO CC[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000470129806 560974897 /nfs/dbraw/zinc/97/48/97/560974897.db2.gz AOIFOWRIDSHVPE-LRDDRELGSA-N 1 1 366.393 2.308 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000470150024 560975292 /nfs/dbraw/zinc/97/52/92/560975292.db2.gz GBQJHKOBNMRTRV-BLLLJJGKSA-N 1 1 358.398 2.379 20 5 FEBDMO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000470619396 560986084 /nfs/dbraw/zinc/98/60/84/560986084.db2.gz DTNLRBHDXXEIBH-UPJWGTAASA-N 1 1 373.450 2.379 20 5 FEBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470809671 560990242 /nfs/dbraw/zinc/99/02/42/560990242.db2.gz CRHDLNATOKDVDZ-KBPBESRZSA-N 1 1 365.434 2.491 20 5 FEBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470809671 560990243 /nfs/dbraw/zinc/99/02/43/560990243.db2.gz CRHDLNATOKDVDZ-KBPBESRZSA-N 1 1 365.434 2.491 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000475131304 561091203 /nfs/dbraw/zinc/09/12/03/561091203.db2.gz QGYLOOYPRROVNU-LRDDRELGSA-N 1 1 352.387 2.003 20 5 FEBDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475707774 561102878 /nfs/dbraw/zinc/10/28/78/561102878.db2.gz UUIFWQRLDOFJHK-OAHLLOKOSA-N 1 1 366.414 2.395 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000476407130 561118643 /nfs/dbraw/zinc/11/86/43/561118643.db2.gz FZYQXAPCKZWQIY-CYBMUJFWSA-N 1 1 351.794 2.014 20 5 FEBDMO COc1c(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476469668 561120263 /nfs/dbraw/zinc/12/02/63/561120263.db2.gz WEXMDUVAHJUGSK-CVEARBPZSA-N 1 1 355.394 2.431 20 5 FEBDMO CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476668241 561125732 /nfs/dbraw/zinc/12/57/32/561125732.db2.gz KQXTWEJZVCXHHQ-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477062545 561135714 /nfs/dbraw/zinc/13/57/14/561135714.db2.gz AJNWPVWDIOQONL-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477062545 561135715 /nfs/dbraw/zinc/13/57/15/561135715.db2.gz AJNWPVWDIOQONL-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000531714936 562454562 /nfs/dbraw/zinc/45/45/62/562454562.db2.gz AHAOBOIVOAXJSW-OAHLLOKOSA-N 1 1 362.474 2.497 20 5 FEBDMO O=[N+]([O-])c1c(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc2sccn21 ZINC000531911070 562461043 /nfs/dbraw/zinc/46/10/43/562461043.db2.gz QQQPBBNMTNNWAB-NEPJUHHUSA-N 1 1 351.432 2.359 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000532252605 562471674 /nfs/dbraw/zinc/47/16/74/562471674.db2.gz OOSHRLUEBLMGMP-YOEHRIQHSA-N 1 1 362.430 2.099 20 5 FEBDMO Cc1ccc2[nH+]c(Cn3nc(-c4ccc([N+](=O)[O-])cc4)oc3=O)cn2c1 ZINC000534399690 562533301 /nfs/dbraw/zinc/53/33/01/562533301.db2.gz UMLPLCLBSIWNFA-UHFFFAOYSA-N 1 1 351.322 2.416 20 5 FEBDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000535583483 562562078 /nfs/dbraw/zinc/56/20/78/562562078.db2.gz XHRKRJKYHXEBNL-CQSZACIVSA-N 1 1 365.430 2.200 20 5 FEBDMO CC(C)(C)c1n[nH]cc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541761205 562619352 /nfs/dbraw/zinc/61/93/52/562619352.db2.gz ZOMCZAKNRNMGGE-UHFFFAOYSA-N 1 1 366.443 2.179 20 5 FEBDMO CNC(=O)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000542001764 562625531 /nfs/dbraw/zinc/62/55/31/562625531.db2.gz VWWZWMALYGHIKF-UHFFFAOYSA-N 1 1 355.822 2.365 20 5 FEBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000546571443 562637767 /nfs/dbraw/zinc/63/77/67/562637767.db2.gz NGAWVDMDTNUVSU-QGZVFWFLSA-N 1 1 367.471 2.283 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000604176176 568218902 /nfs/dbraw/zinc/21/89/02/568218902.db2.gz CNKMBWQNARQQBS-UHFFFAOYSA-N 1 1 354.370 2.106 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000569993605 568446905 /nfs/dbraw/zinc/44/69/05/568446905.db2.gz FHYXTPPUCKLAJJ-RHSMWYFYSA-N 1 1 357.414 2.141 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736457963 598500867 /nfs/dbraw/zinc/50/08/67/598500867.db2.gz SQJCCNAFEXYSNK-LBPRGKRZSA-N 1 1 360.422 2.236 20 5 FEBDMO CS(=O)(=O)c1cccc(NCc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000557688298 674461186 /nfs/dbraw/zinc/46/11/86/674461186.db2.gz VHTIXNHBRSPLQU-UHFFFAOYSA-N 1 1 350.400 2.143 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ncc(Br)cc1[N+](=O)[O-] ZINC000558048288 674481221 /nfs/dbraw/zinc/48/12/21/674481221.db2.gz IXGRQBZNHZTMNN-UHFFFAOYSA-N 1 1 374.283 2.072 20 5 FEBDMO CN(CCCN(C)c1ncc(Br)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000558048288 674481223 /nfs/dbraw/zinc/48/12/23/674481223.db2.gz IXGRQBZNHZTMNN-UHFFFAOYSA-N 1 1 374.283 2.072 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000826052237 607936579 /nfs/dbraw/zinc/93/65/79/607936579.db2.gz QUYMYKYAVFNFJL-HNNXBMFYSA-N 1 1 351.370 2.374 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000826052237 607936580 /nfs/dbraw/zinc/93/65/80/607936580.db2.gz QUYMYKYAVFNFJL-HNNXBMFYSA-N 1 1 351.370 2.374 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)c1 ZINC000826499809 608606912 /nfs/dbraw/zinc/60/69/12/608606912.db2.gz YMCKWCJFXWZUQR-UHFFFAOYSA-N 1 1 371.426 2.159 20 5 FEBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670181 609315179 /nfs/dbraw/zinc/31/51/79/609315179.db2.gz LQCQWRTZPWNXOX-NEPJUHHUSA-N 1 1 372.433 2.235 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000813509296 674754137 /nfs/dbraw/zinc/75/41/37/674754137.db2.gz WXBJUOZQJJUQCJ-QGZVFWFLSA-N 1 1 350.394 2.087 20 5 FEBDMO C[C@H](CCNC[C@H](O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000563012645 674834775 /nfs/dbraw/zinc/83/47/75/674834775.db2.gz BNKSDSAHAAYLQT-CVEARBPZSA-N 1 1 351.447 2.189 20 5 FEBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018745 674898546 /nfs/dbraw/zinc/89/85/46/674898546.db2.gz ZOGJVVJTPDRRPD-VIFPVBQESA-N 1 1 365.814 2.102 20 5 FEBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018745 674898548 /nfs/dbraw/zinc/89/85/48/674898548.db2.gz ZOGJVVJTPDRRPD-VIFPVBQESA-N 1 1 365.814 2.102 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000817131582 675100737 /nfs/dbraw/zinc/10/07/37/675100737.db2.gz FXMSAJRKSOMNBS-JTQLQIEISA-N 1 1 363.386 2.122 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000817131582 675100738 /nfs/dbraw/zinc/10/07/38/675100738.db2.gz FXMSAJRKSOMNBS-JTQLQIEISA-N 1 1 363.386 2.122 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000817149340 675105406 /nfs/dbraw/zinc/10/54/06/675105406.db2.gz CTNQWNDZBKGCSP-SECBINFHSA-N 1 1 365.814 2.102 20 5 FEBDMO CC(C)(C)c1nnc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000565770115 675149797 /nfs/dbraw/zinc/14/97/97/675149797.db2.gz FVDDDBJKMNKQEM-LBPRGKRZSA-N 1 1 366.443 2.273 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@@H+]1CCOC(C)(C)C1 ZINC000573131249 671087041 /nfs/dbraw/zinc/08/70/41/671087041.db2.gz WFENDQWDIFEPTQ-UHFFFAOYSA-N 1 1 351.403 2.213 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC[N@H+]1CCOC(C)(C)C1 ZINC000573131249 671087046 /nfs/dbraw/zinc/08/70/46/671087046.db2.gz WFENDQWDIFEPTQ-UHFFFAOYSA-N 1 1 351.403 2.213 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000576939767 671405979 /nfs/dbraw/zinc/40/59/79/671405979.db2.gz KDTSARDDPKBTGA-CQSZACIVSA-N 1 1 355.460 2.308 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CCO)C1 ZINC000609848961 675939130 /nfs/dbraw/zinc/93/91/30/675939130.db2.gz VDWSZVJSWVXXCA-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119742594 671906927 /nfs/dbraw/zinc/90/69/27/671906927.db2.gz OOLYBZIZOLDMAI-LBPRGKRZSA-N 1 1 367.452 2.338 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000120740951 671934471 /nfs/dbraw/zinc/93/44/71/671934471.db2.gz FQRMSJSFDQHYMX-LLVKDONJSA-N 1 1 359.423 2.053 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000125473250 672012366 /nfs/dbraw/zinc/01/23/66/672012366.db2.gz BJTBGYPSSNYYJS-LLVKDONJSA-N 1 1 361.851 2.177 20 5 FEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000583079393 672061611 /nfs/dbraw/zinc/06/16/11/672061611.db2.gz ZHGVSWJBEMAHOF-JTQLQIEISA-N 1 1 365.789 2.406 20 5 FEBDMO Cc1cc(F)cc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000152156649 672176134 /nfs/dbraw/zinc/17/61/34/672176134.db2.gz RHEBCIBUBXWBMC-AWEZNQCLSA-N 1 1 353.394 2.009 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000585754953 672230627 /nfs/dbraw/zinc/23/06/27/672230627.db2.gz XQRLZWUBWUSWCD-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000585754953 672230631 /nfs/dbraw/zinc/23/06/31/672230631.db2.gz XQRLZWUBWUSWCD-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCCC[C@@H]1CCO ZINC000585754388 672230797 /nfs/dbraw/zinc/23/07/97/672230797.db2.gz LKWYNRIHJSIKDL-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCCC[C@@H]1CCO ZINC000585754388 672230801 /nfs/dbraw/zinc/23/08/01/672230801.db2.gz LKWYNRIHJSIKDL-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)NC(=O)NC1=O ZINC000589189091 672512578 /nfs/dbraw/zinc/51/25/78/672512578.db2.gz ZQUYGIBUQOXLQQ-LRDDRELGSA-N 1 1 366.805 2.201 20 5 FEBDMO C[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000589311272 672521447 /nfs/dbraw/zinc/52/14/47/672521447.db2.gz DREBTUNPWIGBOT-SECBINFHSA-N 1 1 363.199 2.239 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000590539742 672587934 /nfs/dbraw/zinc/58/79/34/672587934.db2.gz ZXSGUFNNWYDRNI-STQMWFEESA-N 1 1 351.378 2.252 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590590865 672593825 /nfs/dbraw/zinc/59/38/25/672593825.db2.gz KFVZTBALPDGPFY-YPMHNXCESA-N 1 1 373.450 2.441 20 5 FEBDMO CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@@H+](C)C1 ZINC000591924766 672721901 /nfs/dbraw/zinc/72/19/01/672721901.db2.gz JDEBVHRRAYHWST-OAHLLOKOSA-N 1 1 350.419 2.229 20 5 FEBDMO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000612051362 676066180 /nfs/dbraw/zinc/06/61/80/676066180.db2.gz NBJHNZZDSNJFDR-GXFFZTMASA-N 1 1 373.862 2.176 20 5 FEBDMO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000612051362 676066182 /nfs/dbraw/zinc/06/61/82/676066182.db2.gz NBJHNZZDSNJFDR-GXFFZTMASA-N 1 1 373.862 2.176 20 5 FEBDMO COCC[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000612063861 676066901 /nfs/dbraw/zinc/06/69/01/676066901.db2.gz MBHFTTKUAJNNTD-UHFFFAOYSA-N 1 1 356.444 2.260 20 5 FEBDMO COCC[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000612063861 676066908 /nfs/dbraw/zinc/06/69/08/676066908.db2.gz MBHFTTKUAJNNTD-UHFFFAOYSA-N 1 1 356.444 2.260 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000248253920 672855142 /nfs/dbraw/zinc/85/51/42/672855142.db2.gz UAUVMUYQWPFDJW-ZDUSSCGKSA-N 1 1 355.822 2.335 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593340634 672910569 /nfs/dbraw/zinc/91/05/69/672910569.db2.gz ZWTXOUYPJDOZOC-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593340634 672910573 /nfs/dbraw/zinc/91/05/73/672910573.db2.gz ZWTXOUYPJDOZOC-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000593666279 672974167 /nfs/dbraw/zinc/97/41/67/672974167.db2.gz OYYRYMXBSHGFEW-UHFFFAOYSA-N 1 1 361.851 2.355 20 5 FEBDMO Cc1noc(C)c1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612461496 676083304 /nfs/dbraw/zinc/08/33/04/676083304.db2.gz HAMWOVHFBDAIIG-SNVBAGLBSA-N 1 1 353.400 2.324 20 5 FEBDMO [NH3+]CC1(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593730190 672983954 /nfs/dbraw/zinc/98/39/54/672983954.db2.gz FJHIYGCEKUCPPA-UHFFFAOYSA-N 1 1 368.242 2.309 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000612610378 676090254 /nfs/dbraw/zinc/09/02/54/676090254.db2.gz LVRZIDNPCNOKGW-ZDUSSCGKSA-N 1 1 352.366 2.062 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594483529 673087390 /nfs/dbraw/zinc/08/73/90/673087390.db2.gz NCOHXUAZQXWTLM-GDBMZVCRSA-N 1 1 353.444 2.031 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594483703 673088092 /nfs/dbraw/zinc/08/80/92/673088092.db2.gz NZTDJNVTORWAFA-ZBFHGGJFSA-N 1 1 353.444 2.198 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000726603668 673131536 /nfs/dbraw/zinc/13/15/36/673131536.db2.gz YQYDHUHDBDPDHL-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594800368 673147520 /nfs/dbraw/zinc/14/75/20/673147520.db2.gz DFRJHFRDSZETBE-ZDUSSCGKSA-N 1 1 355.460 2.308 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000594854284 673165024 /nfs/dbraw/zinc/16/50/24/673165024.db2.gz INJLISINZUMJMF-OAHLLOKOSA-N 1 1 367.471 2.421 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000462871721 673286806 /nfs/dbraw/zinc/28/68/06/673286806.db2.gz CSANCTOYYZCJNC-CQSZACIVSA-N 1 1 352.387 2.146 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000730786209 673290621 /nfs/dbraw/zinc/29/06/21/673290621.db2.gz MYYGNPWAHCWQMG-BETUJISGSA-N 1 1 353.394 2.492 20 5 FEBDMO CCC[N@H+](C)CC(C)(C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595873586 673333027 /nfs/dbraw/zinc/33/30/27/673333027.db2.gz MVHAFZMLJMNOCI-UHFFFAOYSA-N 1 1 357.476 2.079 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595873586 673333030 /nfs/dbraw/zinc/33/30/30/673333030.db2.gz MVHAFZMLJMNOCI-UHFFFAOYSA-N 1 1 357.476 2.079 20 5 FEBDMO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732213509 673357619 /nfs/dbraw/zinc/35/76/19/673357619.db2.gz DVAPYEODVCMVBF-CYBMUJFWSA-N 1 1 352.822 2.355 20 5 FEBDMO COCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596122006 673361128 /nfs/dbraw/zinc/36/11/28/673361128.db2.gz NXGBTXZEZHKEKD-JTQLQIEISA-N 1 1 357.794 2.167 20 5 FEBDMO COC(=O)c1c(Cl)c(NC[C@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000596250507 673371826 /nfs/dbraw/zinc/37/18/26/673371826.db2.gz RTVIKOSRCOFSLC-LLVKDONJSA-N 1 1 371.821 2.294 20 5 FEBDMO COC(=O)c1c(Cl)c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000596259633 673372331 /nfs/dbraw/zinc/37/23/31/673372331.db2.gz XWTKOWCKBNAXTO-PHIMTYICSA-N 1 1 369.805 2.310 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)n1 ZINC000537916205 673413870 /nfs/dbraw/zinc/41/38/70/673413870.db2.gz PNVBLMUIKFXQJH-UHFFFAOYSA-N 1 1 364.431 2.413 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598605596 673589185 /nfs/dbraw/zinc/58/91/85/673589185.db2.gz SIUMZVRDPZSSKK-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000543182779 673631371 /nfs/dbraw/zinc/63/13/71/673631371.db2.gz XWRBVTKJIHCTFR-GAFUQQFSSA-N 1 1 358.341 2.408 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC1CC([NH+]2CCOCC2)C1 ZINC000599093944 673632525 /nfs/dbraw/zinc/63/25/25/673632525.db2.gz BUXWQNAUZDJVJI-UHFFFAOYSA-N 1 1 369.805 2.310 20 5 FEBDMO NS(=O)(=O)c1c(NC[C@H]2CC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000599125807 673635089 /nfs/dbraw/zinc/63/50/89/673635089.db2.gz CFOKFIDSGOJQCH-CYBMUJFWSA-N 1 1 368.459 2.061 20 5 FEBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599198982 673639830 /nfs/dbraw/zinc/63/98/30/673639830.db2.gz DOTIYFGMBVWRDI-QMMMGPOBSA-N 1 1 370.278 2.122 20 5 FEBDMO CCOC(=O)C[NH+]1CCC(COC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000740560993 673648977 /nfs/dbraw/zinc/64/89/77/673648977.db2.gz VNSDVXKYFRYOFT-UHFFFAOYSA-N 1 1 350.371 2.027 20 5 FEBDMO O=C1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CCN1CC(F)(F)F ZINC000601165305 673830138 /nfs/dbraw/zinc/83/01/38/673830138.db2.gz MKQNQTOQJSUAMU-UHFFFAOYSA-N 1 1 354.288 2.354 20 5 FEBDMO C[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)[N@H+]1CCCC[C@H]1C ZINC000745765531 673849428 /nfs/dbraw/zinc/84/94/28/673849428.db2.gz BXVQAJHCBLPQTH-CHWSQXEVSA-N 1 1 353.394 2.492 20 5 FEBDMO C[NH+](C)C1(CS(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601382546 673852490 /nfs/dbraw/zinc/85/24/90/673852490.db2.gz BPIMKCDFLBGYQV-CQSZACIVSA-N 1 1 371.484 2.066 20 5 FEBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602683365 673909516 /nfs/dbraw/zinc/90/95/16/673909516.db2.gz YKXGPPLEXPTOLX-NXEZZACHSA-N 1 1 351.222 2.312 20 5 FEBDMO CCN(C[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000602775848 673910803 /nfs/dbraw/zinc/91/08/03/673910803.db2.gz CBVNQOWWAZEHMW-ZDUSSCGKSA-N 1 1 363.384 2.306 20 5 FEBDMO Cn1cc(C[NH2+][C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000602918423 673913963 /nfs/dbraw/zinc/91/39/63/673913963.db2.gz WBASDROVLLMYIN-DGCLKSJQSA-N 1 1 356.304 2.353 20 5 FEBDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850651 675247732 /nfs/dbraw/zinc/24/77/32/675247732.db2.gz MNWNWQUTYKKQSV-OAGGEKHMSA-N 1 1 351.447 2.045 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850651 675247733 /nfs/dbraw/zinc/24/77/33/675247733.db2.gz MNWNWQUTYKKQSV-OAGGEKHMSA-N 1 1 351.447 2.045 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782963 675322125 /nfs/dbraw/zinc/32/21/25/675322125.db2.gz HQUYMEPXTAGXOE-YPMHNXCESA-N 1 1 353.444 2.061 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782963 675322127 /nfs/dbraw/zinc/32/21/27/675322127.db2.gz HQUYMEPXTAGXOE-YPMHNXCESA-N 1 1 353.444 2.061 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604505414 675805580 /nfs/dbraw/zinc/80/55/80/675805580.db2.gz ZGHAHPYHRIGYGG-PWSUYJOCSA-N 1 1 353.806 2.368 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000839415978 680752299 /nfs/dbraw/zinc/75/22/99/680752299.db2.gz VYXDFLSYOUVWRU-LBPRGKRZSA-N 1 1 350.375 2.368 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000839415978 680752300 /nfs/dbraw/zinc/75/23/00/680752300.db2.gz VYXDFLSYOUVWRU-LBPRGKRZSA-N 1 1 350.375 2.368 20 5 FEBDMO O=C1CC2(CN1)CC[NH+](Cc1cccc([N+](=O)[O-])c1Br)CC2 ZINC000839500817 680757238 /nfs/dbraw/zinc/75/72/38/680757238.db2.gz PWMFJYOXGYTONW-UHFFFAOYSA-N 1 1 368.231 2.459 20 5 FEBDMO COc1cc(OCC(=O)OCC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000840226182 680808788 /nfs/dbraw/zinc/80/87/88/680808788.db2.gz ULIGVRLFEWREDO-CYBMUJFWSA-N 1 1 352.387 2.400 20 5 FEBDMO CC1(C)[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000911846589 685271407 /nfs/dbraw/zinc/27/14/07/685271407.db2.gz SFMRMWMNMLLQCJ-KBPBESRZSA-N 1 1 367.833 2.477 20 5 FEBDMO CC1(C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]2COC[C@@H]21 ZINC000832779537 680176080 /nfs/dbraw/zinc/17/60/80/680176080.db2.gz ZVRRTDCVYILNBM-SWLSCSKDSA-N 1 1 351.378 2.419 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000752255544 680232270 /nfs/dbraw/zinc/23/22/70/680232270.db2.gz RJAAJVHLIFFLJF-GHMZBOCLSA-N 1 1 361.851 2.318 20 5 FEBDMO C[C@]1(C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000752300748 680234922 /nfs/dbraw/zinc/23/49/22/680234922.db2.gz IGNSHOXHFYBOIT-MRXNPFEDSA-N 1 1 366.805 2.058 20 5 FEBDMO Cc1nn(CCC(=O)OCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000835601960 680358990 /nfs/dbraw/zinc/35/89/90/680358990.db2.gz VAPIJTHDVJWJHK-GOOCMWNKSA-N 1 1 350.419 2.214 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000836089715 680419805 /nfs/dbraw/zinc/41/98/05/680419805.db2.gz PZWSLGRMFGMCTE-LBPRGKRZSA-N 1 1 368.821 2.128 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000755576650 680422453 /nfs/dbraw/zinc/42/24/53/680422453.db2.gz VBXSQYQKNJMOHM-UHFFFAOYSA-N 1 1 350.350 2.239 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000836641146 680493808 /nfs/dbraw/zinc/49/38/08/680493808.db2.gz KQUMWWKEOIYLMU-GDBMZVCRSA-N 1 1 367.833 2.228 20 5 FEBDMO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000841892481 680916742 /nfs/dbraw/zinc/91/67/42/680916742.db2.gz ZPFRPHRSJPDWOO-NEPJUHHUSA-N 1 1 372.263 2.244 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1cccc([N+](=O)[O-])c1Br ZINC000842162777 680929530 /nfs/dbraw/zinc/92/95/30/680929530.db2.gz ICPJOXLEMSUSNT-VXGBXAGGSA-N 1 1 372.263 2.244 20 5 FEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000842826480 680969961 /nfs/dbraw/zinc/96/99/61/680969961.db2.gz SUCZGGKBOCFKIS-NSHDSACASA-N 1 1 361.851 2.319 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000844643414 681070188 /nfs/dbraw/zinc/07/01/88/681070188.db2.gz RFIILMARVNXINP-IJLUTSLNSA-N 1 1 352.410 2.353 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000772156668 681087972 /nfs/dbraw/zinc/08/79/72/681087972.db2.gz SDYDITLJCUWUES-STQMWFEESA-N 1 1 353.806 2.150 20 5 FEBDMO COc1cccc(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000774096011 681168451 /nfs/dbraw/zinc/16/84/51/681168451.db2.gz NPBFBUWMVLMQHQ-ZDUSSCGKSA-N 1 1 352.387 2.117 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000846986674 681316965 /nfs/dbraw/zinc/31/69/65/681316965.db2.gz CKLSDQAGAAGQDL-LBPRGKRZSA-N 1 1 352.410 2.356 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@H](C)C2CC2)CC1 ZINC000777401638 681490814 /nfs/dbraw/zinc/49/08/14/681490814.db2.gz QFMXFJOTQQEENF-CYBMUJFWSA-N 1 1 353.444 2.008 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352521 681527797 /nfs/dbraw/zinc/52/77/97/681527797.db2.gz QHSYCRUUUQBSHO-AAEUAGOBSA-N 1 1 361.427 2.346 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581890 681582509 /nfs/dbraw/zinc/58/25/09/681582509.db2.gz ZHPVXCZVXLANLJ-RYUDHWBXSA-N 1 1 355.341 2.309 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000849411507 681720169 /nfs/dbraw/zinc/72/01/69/681720169.db2.gz LZAJJVTVEKQLOI-GFCCVEGCSA-N 1 1 371.459 2.002 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1F ZINC000849420105 681725897 /nfs/dbraw/zinc/72/58/97/681725897.db2.gz QZICXNWHIBVWNP-NSHDSACASA-N 1 1 359.423 2.193 20 5 FEBDMO Nc1c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000935690903 681802160 /nfs/dbraw/zinc/80/21/60/681802160.db2.gz YBCCUFFUFVDMLA-MNOVXSKESA-N 1 1 374.775 2.228 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000780206708 681804344 /nfs/dbraw/zinc/80/43/44/681804344.db2.gz AQFOKGALLJKKQB-LBPRGKRZSA-N 1 1 352.460 2.069 20 5 FEBDMO CC[N@H+](Cc1nc(C)cs1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713233 681918805 /nfs/dbraw/zinc/91/88/05/681918805.db2.gz SXOZSYGZZPOAKB-HUUCEWRRSA-N 1 1 366.487 2.177 20 5 FEBDMO CC[N@@H+](Cc1nc(C)cs1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713233 681918811 /nfs/dbraw/zinc/91/88/11/681918811.db2.gz SXOZSYGZZPOAKB-HUUCEWRRSA-N 1 1 366.487 2.177 20 5 FEBDMO CC[N@H+](Cc1nc(C)cs1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713233 681918816 /nfs/dbraw/zinc/91/88/16/681918816.db2.gz SXOZSYGZZPOAKB-HUUCEWRRSA-N 1 1 366.487 2.177 20 5 FEBDMO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@@H+](CC)C1 ZINC000850607232 681925208 /nfs/dbraw/zinc/92/52/08/681925208.db2.gz UZWUYLGIHXRISA-LBPRGKRZSA-N 1 1 368.821 2.129 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914325499 685503973 /nfs/dbraw/zinc/50/39/73/685503973.db2.gz LSRBVQFOKJJBTN-HOTGVXAUSA-N 1 1 364.471 2.016 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000783317915 682134364 /nfs/dbraw/zinc/13/43/64/682134364.db2.gz XJXIERFWUKXFBW-NSHDSACASA-N 1 1 368.821 2.033 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000917654452 685533510 /nfs/dbraw/zinc/53/35/10/685533510.db2.gz HBSQUDUNXVAQJH-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852698472 682322096 /nfs/dbraw/zinc/32/20/96/682322096.db2.gz LEWMITPPSKLHPX-CYBMUJFWSA-N 1 1 350.375 2.240 20 5 FEBDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852698472 682322098 /nfs/dbraw/zinc/32/20/98/682322098.db2.gz LEWMITPPSKLHPX-CYBMUJFWSA-N 1 1 350.375 2.240 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000918744476 685541848 /nfs/dbraw/zinc/54/18/48/685541848.db2.gz IUEJKMRQQHPTHP-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000786238422 682362716 /nfs/dbraw/zinc/36/27/16/682362716.db2.gz GMTVGFCQRGRZDB-VIFPVBQESA-N 1 1 356.220 2.442 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000786238422 682362720 /nfs/dbraw/zinc/36/27/20/682362720.db2.gz GMTVGFCQRGRZDB-VIFPVBQESA-N 1 1 356.220 2.442 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@@H]2N1 ZINC000853555876 682433105 /nfs/dbraw/zinc/43/31/05/682433105.db2.gz RAFSRNBARRLZMW-PWSUYJOCSA-N 1 1 362.411 2.430 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@@H]2N1 ZINC000853555876 682433110 /nfs/dbraw/zinc/43/31/10/682433110.db2.gz RAFSRNBARRLZMW-PWSUYJOCSA-N 1 1 362.411 2.430 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789590501 682620326 /nfs/dbraw/zinc/62/03/26/682620326.db2.gz IELFCTYKTDOVBN-LLVKDONJSA-N 1 1 351.363 2.376 20 5 FEBDMO CNc1c(C(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000793146272 682867240 /nfs/dbraw/zinc/86/72/40/682867240.db2.gz FMYOXSOFLROVTJ-CYBMUJFWSA-N 1 1 351.403 2.150 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000858452954 682969203 /nfs/dbraw/zinc/96/92/03/682969203.db2.gz OIIBBVVULIDMIE-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000859348194 683090093 /nfs/dbraw/zinc/09/00/93/683090093.db2.gz NHGJOSHZGCHDOX-GFCCVEGCSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000859348194 683090097 /nfs/dbraw/zinc/09/00/97/683090097.db2.gz NHGJOSHZGCHDOX-GFCCVEGCSA-N 1 1 357.407 2.029 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798172573 683317413 /nfs/dbraw/zinc/31/74/13/683317413.db2.gz JJHFCIRKDYNVTI-SNVBAGLBSA-N 1 1 371.235 2.166 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928434154 683450234 /nfs/dbraw/zinc/45/02/34/683450234.db2.gz HMBSHPOGLRQQGT-TVQRCGJNSA-N 1 1 356.220 2.488 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000929472833 683601003 /nfs/dbraw/zinc/60/10/03/683601003.db2.gz VHVHMAFUNGMZSX-CQSZACIVSA-N 1 1 367.471 2.403 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC000930844182 683792004 /nfs/dbraw/zinc/79/20/04/683792004.db2.gz BQUZTIZVDOJEAE-RBSFLKMASA-N 1 1 357.451 2.047 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000931186036 683848706 /nfs/dbraw/zinc/84/87/06/683848706.db2.gz LVCIALXIKHKCFF-CHWSQXEVSA-N 1 1 367.833 2.160 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931988020 684383442 /nfs/dbraw/zinc/38/34/42/684383442.db2.gz IJIAXCPKORBCGH-ZDUSSCGKSA-N 1 1 369.849 2.408 20 5 FEBDMO C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000932055764 684399066 /nfs/dbraw/zinc/39/90/66/684399066.db2.gz WKOVEAVYWFIMFQ-CHWSQXEVSA-N 1 1 369.849 2.406 20 5 FEBDMO C[C@H](C[C@@H]1COCC[NH2+]1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762741 684583400 /nfs/dbraw/zinc/58/34/00/684583400.db2.gz NRPDIEALXYJFCF-ZWNOBZJWSA-N 1 1 358.236 2.214 20 5 FEBDMO CC(C)N1CC[NH+](CCCOC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000869897340 684665360 /nfs/dbraw/zinc/66/53/60/684665360.db2.gz QQJZBQAZHFNKLP-UHFFFAOYSA-N 1 1 353.394 2.307 20 5 FEBDMO C[C@@]([NH3+])(C(=O)N1CCO[C@@H](c2ccsc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870906464 684768997 /nfs/dbraw/zinc/76/89/97/684768997.db2.gz OHBSVPVMTNHHTI-WBVHZDCISA-N 1 1 361.423 2.430 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000872662535 684999450 /nfs/dbraw/zinc/99/94/50/684999450.db2.gz FWYSIHLVVGNIKO-CHWSQXEVSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000872662535 684999453 /nfs/dbraw/zinc/99/94/53/684999453.db2.gz FWYSIHLVVGNIKO-CHWSQXEVSA-N 1 1 359.835 2.105 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1C ZINC000872663873 685000201 /nfs/dbraw/zinc/00/02/01/685000201.db2.gz PEEPPFJUGXICMN-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1C ZINC000872663873 685000204 /nfs/dbraw/zinc/00/02/04/685000204.db2.gz PEEPPFJUGXICMN-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000872720361 685008339 /nfs/dbraw/zinc/00/83/39/685008339.db2.gz NHPMSFIJQCVEKQ-NWDGAFQWSA-N 1 1 362.411 2.054 20 5 FEBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000872720361 685008343 /nfs/dbraw/zinc/00/83/43/685008343.db2.gz NHPMSFIJQCVEKQ-NWDGAFQWSA-N 1 1 362.411 2.054 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000873395017 685121820 /nfs/dbraw/zinc/12/18/20/685121820.db2.gz FFBUXNYMYOPWQL-HNNXBMFYSA-N 1 1 350.419 2.440 20 5 FEBDMO COc1cc(C[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)c([N+](=O)[O-])cc1F ZINC000879487204 686834296 /nfs/dbraw/zinc/83/42/96/686834296.db2.gz VLNGPQQIBXYQDM-INIZCTEOSA-N 1 1 351.378 2.218 20 5 FEBDMO COc1cc(C[N@@H+](CC2CC2)[C@H](C(N)=O)C2CC2)c([N+](=O)[O-])cc1F ZINC000879487204 686834301 /nfs/dbraw/zinc/83/43/01/686834301.db2.gz VLNGPQQIBXYQDM-INIZCTEOSA-N 1 1 351.378 2.218 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000880500143 687054765 /nfs/dbraw/zinc/05/47/65/687054765.db2.gz TYERAJTXSKGHCY-CABCVRRESA-N 1 1 367.833 2.477 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884949580 687971881 /nfs/dbraw/zinc/97/18/81/687971881.db2.gz GTLNJZVOMGSCPG-ZIAGYGMSSA-N 1 1 353.444 2.062 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884953475 687973266 /nfs/dbraw/zinc/97/32/66/687973266.db2.gz ZJNODITXSJTOOC-NEPJUHHUSA-N 1 1 373.862 2.462 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000885855449 688169568 /nfs/dbraw/zinc/16/95/68/688169568.db2.gz RBONDAOKFAFVRJ-CYBMUJFWSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000885855450 688169855 /nfs/dbraw/zinc/16/98/55/688169855.db2.gz RBONDAOKFAFVRJ-ZDUSSCGKSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885859417 688171160 /nfs/dbraw/zinc/17/11/60/688171160.db2.gz ZSXXZSICLHELAB-HNNXBMFYSA-N 1 1 365.455 2.056 20 5 FEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889716407 688810557 /nfs/dbraw/zinc/81/05/57/688810557.db2.gz RHNWUEIDUCOOAX-GFCCVEGCSA-N 1 1 371.235 2.251 20 5 FEBDMO C[N@H+]1CCCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889731295 688813566 /nfs/dbraw/zinc/81/35/66/688813566.db2.gz HJSJBNBBKWYSFL-UHFFFAOYSA-N 1 1 371.235 2.204 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889745030 688814854 /nfs/dbraw/zinc/81/48/54/688814854.db2.gz QWDOLJQJEXRCDC-QWHCGFSZSA-N 1 1 371.796 2.059 20 5 FEBDMO C[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895244922 689683520 /nfs/dbraw/zinc/68/35/20/689683520.db2.gz ATKKDTRDWLNFDV-MFKMUULPSA-N 1 1 357.252 2.404 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896547471 689890253 /nfs/dbraw/zinc/89/02/53/689890253.db2.gz BYJSJBIJUZYVNN-DOMZBBRYSA-N 1 1 366.487 2.071 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000907063915 691384501 /nfs/dbraw/zinc/38/45/01/691384501.db2.gz DRHBWOYJGXTVNI-MFKMUULPSA-N 1 1 352.822 2.387 20 5 FEBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626977 719054372 /nfs/dbraw/zinc/05/43/72/719054372.db2.gz SSRHCYMPRRFRHS-FUHWJXTLSA-N 1 1 354.410 2.329 20 5 FEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001164807992 720087662 /nfs/dbraw/zinc/08/76/62/720087662.db2.gz GUMQKKPBRVQHLY-KDOFPFPSSA-N 1 1 364.421 2.314 20 5 FEBDMO O=[N+]([O-])c1c[nH]c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164786228 721416114 /nfs/dbraw/zinc/41/61/14/721416114.db2.gz OELBYWPKPCLZRQ-TXEJJXNPSA-N 1 1 370.438 2.496 20 5 FEBDMO O=[N+]([O-])c1c[nH]c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164786228 721416118 /nfs/dbraw/zinc/41/61/18/721416118.db2.gz OELBYWPKPCLZRQ-TXEJJXNPSA-N 1 1 370.438 2.496 20 5 FEBDMO Cc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164905973 721562755 /nfs/dbraw/zinc/56/27/55/721562755.db2.gz IHQXKDWKIAGPRW-GOEBONIOSA-N 1 1 373.388 2.174 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164931002 721889326 /nfs/dbraw/zinc/88/93/26/721889326.db2.gz DYLNFQHOSTXXTN-ZWKOTPCHSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164931002 721889327 /nfs/dbraw/zinc/88/93/27/721889327.db2.gz DYLNFQHOSTXXTN-ZWKOTPCHSA-N 1 1 355.442 2.358 20 5 FEBDMO COC1(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCC1 ZINC000549366464 674036846 /nfs/dbraw/zinc/03/68/46/674036846.db2.gz MHSQYQOXUNGYCT-UHFFFAOYSA-N 1 1 353.444 2.373 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000029159094 539844792 /nfs/dbraw/zinc/84/47/92/539844792.db2.gz KTPJPWAQEGQHQY-CQSZACIVSA-N 1 1 374.441 2.256 20 5 FEBDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000029724645 539861949 /nfs/dbraw/zinc/86/19/49/539861949.db2.gz RKEZAGPOCUHAPI-KRWDZBQOSA-N 1 1 373.409 2.425 20 5 FEBDMO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000029724645 539861952 /nfs/dbraw/zinc/86/19/52/539861952.db2.gz RKEZAGPOCUHAPI-KRWDZBQOSA-N 1 1 373.409 2.425 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000046933964 540277636 /nfs/dbraw/zinc/27/76/36/540277636.db2.gz IAHQJEUNKMORDU-UHFFFAOYSA-N 1 1 369.425 2.298 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000049131548 540381994 /nfs/dbraw/zinc/38/19/94/540381994.db2.gz OQUVFWFBHVNDLI-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO C[N@@H+](CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000049304912 540387171 /nfs/dbraw/zinc/38/71/71/540387171.db2.gz GZCREXXPMMCRMZ-UHFFFAOYSA-N 1 1 370.409 2.172 20 5 FEBDMO CNS(=O)(=O)c1ccc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981047 540619584 /nfs/dbraw/zinc/61/95/84/540619584.db2.gz FHEOGOUHEBVLSS-CHWSQXEVSA-N 1 1 370.475 2.035 20 5 FEBDMO CC(C)C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000056459397 540727758 /nfs/dbraw/zinc/72/77/58/540727758.db2.gz TZSVXOUSCZNSQC-QGZVFWFLSA-N 1 1 364.446 2.141 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000063693777 541179185 /nfs/dbraw/zinc/17/91/85/541179185.db2.gz QUAJECTUHBZCSP-LBPRGKRZSA-N 1 1 350.375 2.353 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000064736645 541216224 /nfs/dbraw/zinc/21/62/24/541216224.db2.gz SWRVPBOIBSEOLX-ZDUSSCGKSA-N 1 1 368.397 2.352 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000066483801 541325735 /nfs/dbraw/zinc/32/57/35/541325735.db2.gz ANRVSUBKIVAOQN-MDZRGWNJSA-N 1 1 365.474 2.275 20 5 FEBDMO O=C([C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1)N1CCSCC1 ZINC000067117772 541419274 /nfs/dbraw/zinc/41/92/74/541419274.db2.gz ULBHKATUFXEIKZ-INIZCTEOSA-N 1 1 365.455 2.013 20 5 FEBDMO O=C([C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1)N1CCSCC1 ZINC000067117772 541419279 /nfs/dbraw/zinc/41/92/79/541419279.db2.gz ULBHKATUFXEIKZ-INIZCTEOSA-N 1 1 365.455 2.013 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067392996 541454823 /nfs/dbraw/zinc/45/48/23/541454823.db2.gz SVOLXCFTXBQABQ-CYBMUJFWSA-N 1 1 362.430 2.160 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000067392997 541455218 /nfs/dbraw/zinc/45/52/18/541455218.db2.gz SVOLXCFTXBQABQ-ZDUSSCGKSA-N 1 1 362.430 2.160 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[NH+]1Cc2ccccc2C1 ZINC000068252876 541568357 /nfs/dbraw/zinc/56/83/57/541568357.db2.gz FQAVSJFSMQDANA-UHFFFAOYSA-N 1 1 355.394 2.496 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068476167 541597003 /nfs/dbraw/zinc/59/70/03/541597003.db2.gz ZVJZMHJCKPQNMK-GFCCVEGCSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1c(C(=O)N2CCC[N@H+](C(C)C)CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068777443 541626873 /nfs/dbraw/zinc/62/68/73/541626873.db2.gz WJLUZXOLQSPOND-UHFFFAOYSA-N 1 1 350.375 2.368 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000069531036 541695253 /nfs/dbraw/zinc/69/52/53/541695253.db2.gz OSSJIKFNYTWAOQ-HIFRSBDPSA-N 1 1 367.471 2.302 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[S@@](=O)c3ccccc3)C2)nc1 ZINC000072665205 541847608 /nfs/dbraw/zinc/84/76/08/541847608.db2.gz GMYOFUKVVFJEKT-SXBQZSJRSA-N 1 1 360.439 2.284 20 5 FEBDMO Cc1cccc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[nH+]1 ZINC000074277660 542062132 /nfs/dbraw/zinc/06/21/32/542062132.db2.gz ZAGASONUNJLKOG-UHFFFAOYSA-N 1 1 350.400 2.226 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000074318426 542068851 /nfs/dbraw/zinc/06/88/51/542068851.db2.gz NNYOXVOIDDXBLN-CYBMUJFWSA-N 1 1 357.414 2.275 20 5 FEBDMO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000074318426 542068854 /nfs/dbraw/zinc/06/88/54/542068854.db2.gz NNYOXVOIDDXBLN-CYBMUJFWSA-N 1 1 357.414 2.275 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000074318426 542068858 /nfs/dbraw/zinc/06/88/58/542068858.db2.gz NNYOXVOIDDXBLN-CYBMUJFWSA-N 1 1 357.414 2.275 20 5 FEBDMO COc1cc(C[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1SC ZINC000075675532 542197183 /nfs/dbraw/zinc/19/71/83/542197183.db2.gz MAJLNAHZFVPVIE-AWEZNQCLSA-N 1 1 366.443 2.015 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000076387758 542271912 /nfs/dbraw/zinc/27/19/12/542271912.db2.gz URIDSAJLNPTBET-OAHLLOKOSA-N 1 1 371.441 2.223 20 5 FEBDMO Cc1ccc(C(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000077452482 542383974 /nfs/dbraw/zinc/38/39/74/542383974.db2.gz CHXMWMVBVDCOIG-MRXNPFEDSA-N 1 1 360.458 2.003 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000089927155 542774241 /nfs/dbraw/zinc/77/42/41/542774241.db2.gz CNUCXDKKPCXDKO-AVGNSLFASA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000089927155 542774244 /nfs/dbraw/zinc/77/42/44/542774244.db2.gz CNUCXDKKPCXDKO-AVGNSLFASA-N 1 1 351.403 2.023 20 5 FEBDMO C[N@@H+](CCc1cccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1)C1CC1 ZINC000091632170 542817368 /nfs/dbraw/zinc/81/73/68/542817368.db2.gz MJXUATPTEUDVQK-UHFFFAOYSA-N 1 1 355.398 2.469 20 5 FEBDMO Cn1cc(C[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093611508 542936490 /nfs/dbraw/zinc/93/64/90/542936490.db2.gz OBEZUASBXXVGTL-HNNXBMFYSA-N 1 1 370.331 2.494 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093611508 542936493 /nfs/dbraw/zinc/93/64/93/542936493.db2.gz OBEZUASBXXVGTL-HNNXBMFYSA-N 1 1 370.331 2.494 20 5 FEBDMO COCC[N@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000106107063 543198619 /nfs/dbraw/zinc/19/86/19/543198619.db2.gz MCBCACJSWVUXGP-HNNXBMFYSA-N 1 1 374.441 2.445 20 5 FEBDMO COCCN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000106107063 543198621 /nfs/dbraw/zinc/19/86/21/543198621.db2.gz MCBCACJSWVUXGP-HNNXBMFYSA-N 1 1 374.441 2.445 20 5 FEBDMO COCCN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000106107063 543198624 /nfs/dbraw/zinc/19/86/24/543198624.db2.gz MCBCACJSWVUXGP-HNNXBMFYSA-N 1 1 374.441 2.445 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000107691995 543275377 /nfs/dbraw/zinc/27/53/77/543275377.db2.gz ISUHXNNUCPYBGV-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000107894201 543281045 /nfs/dbraw/zinc/28/10/45/543281045.db2.gz BYLOBHDIUQBAGE-OAHLLOKOSA-N 1 1 360.458 2.269 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109293948 543320768 /nfs/dbraw/zinc/32/07/68/543320768.db2.gz ZUMBSJMSZPFPOZ-AWEZNQCLSA-N 1 1 357.414 2.385 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@@H+](C)Cc1ccccc1 ZINC000111348314 543398033 /nfs/dbraw/zinc/39/80/33/543398033.db2.gz UXXBMKDALNRIQU-GFCCVEGCSA-N 1 1 369.468 2.455 20 5 FEBDMO CN(C)C(=O)C[NH+]1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112081012 543430034 /nfs/dbraw/zinc/43/00/34/543430034.db2.gz RYRYNTRYWMHTPA-UHFFFAOYSA-N 1 1 357.414 2.108 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000115272456 543557201 /nfs/dbraw/zinc/55/72/01/543557201.db2.gz XIHKBYNPKMWYFW-QAPCUYQASA-N 1 1 363.458 2.391 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000247479928 549341712 /nfs/dbraw/zinc/34/17/12/549341712.db2.gz SRHRDORYWPLEHI-SUMWQHHRSA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000123891459 543789727 /nfs/dbraw/zinc/78/97/27/543789727.db2.gz JDRJFWAOWXUEGN-YUMQZZPRSA-N 1 1 368.242 2.273 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124841543 543845997 /nfs/dbraw/zinc/84/59/97/543845997.db2.gz DBPPFELFYLGBLR-GFCCVEGCSA-N 1 1 361.489 2.317 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000125286995 543872855 /nfs/dbraw/zinc/87/28/55/543872855.db2.gz RQWXVMUOXZAASR-UHFFFAOYSA-N 1 1 369.425 2.449 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCCCO1 ZINC000126039410 543914721 /nfs/dbraw/zinc/91/47/21/543914721.db2.gz ODTPTIVZBOESFY-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000129625589 544121432 /nfs/dbraw/zinc/12/14/32/544121432.db2.gz ZNYQQOUREJDZKK-UHFFFAOYSA-N 1 1 368.865 2.252 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000133634025 544277588 /nfs/dbraw/zinc/27/75/88/544277588.db2.gz WDCKMKDGGSGINW-CALCHBBNSA-N 1 1 374.485 2.154 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247505234 549345923 /nfs/dbraw/zinc/34/59/23/549345923.db2.gz IUWDCDGRTLMGIO-WCQYABFASA-N 1 1 359.386 2.164 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)C1CC1 ZINC000135234099 544338701 /nfs/dbraw/zinc/33/87/01/544338701.db2.gz KQFDIIWDNQMYJN-SJORKVTESA-N 1 1 350.415 2.116 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCOC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000135575932 544353897 /nfs/dbraw/zinc/35/38/97/544353897.db2.gz KUHUAVZDEDCPJL-UHFFFAOYSA-N 1 1 363.414 2.113 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135526791 544351026 /nfs/dbraw/zinc/35/10/26/544351026.db2.gz KIANFSXOAYDWNZ-HOTGVXAUSA-N 1 1 365.455 2.438 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000151835055 544586409 /nfs/dbraw/zinc/58/64/09/544586409.db2.gz ZKUIOMFKZSPFNZ-ZBFHGGJFSA-N 1 1 359.382 2.375 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000153374573 544767733 /nfs/dbraw/zinc/76/77/33/544767733.db2.gz RHJFVEAACUYWEE-AWEZNQCLSA-N 1 1 353.444 2.031 20 5 FEBDMO O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000153433846 544774671 /nfs/dbraw/zinc/77/46/71/544774671.db2.gz YPTCHMFDIBPEQU-UHFFFAOYSA-N 1 1 361.377 2.099 20 5 FEBDMO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000153766957 544820896 /nfs/dbraw/zinc/82/08/96/544820896.db2.gz IFXKUSFJFXEFID-HIFRSBDPSA-N 1 1 350.419 2.212 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154458110 544909200 /nfs/dbraw/zinc/90/92/00/544909200.db2.gz GCADPCNPLAQSJJ-UKRRQHHQSA-N 1 1 351.403 2.227 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154458110 544909205 /nfs/dbraw/zinc/90/92/05/544909205.db2.gz GCADPCNPLAQSJJ-UKRRQHHQSA-N 1 1 351.403 2.227 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000154706620 544939946 /nfs/dbraw/zinc/93/99/46/544939946.db2.gz ZXIFFHZGVQKQKR-KDOFPFPSSA-N 1 1 369.425 2.337 20 5 FEBDMO CNC(=O)CCC[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000154991766 544974179 /nfs/dbraw/zinc/97/41/79/544974179.db2.gz KXLSDYRDVKTZFB-UHFFFAOYSA-N 1 1 361.345 2.163 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000189442379 328148517 /nfs/dbraw/zinc/14/85/17/328148517.db2.gz QHSURBYSBCTBDL-OAHLLOKOSA-N 1 1 350.463 2.427 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000190410218 328206182 /nfs/dbraw/zinc/20/61/82/328206182.db2.gz FWZRDEIXBOMNPG-ZWNOBZJWSA-N 1 1 360.357 2.450 20 5 FEBDMO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000190878312 328237914 /nfs/dbraw/zinc/23/79/14/328237914.db2.gz FIQKQZWJLTUULB-AWEZNQCLSA-N 1 1 370.475 2.081 20 5 FEBDMO CCS(=O)(=O)CCCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000190878312 328237915 /nfs/dbraw/zinc/23/79/15/328237915.db2.gz FIQKQZWJLTUULB-AWEZNQCLSA-N 1 1 370.475 2.081 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3N)CC2)[nH+]c1 ZINC000191758193 328280301 /nfs/dbraw/zinc/28/03/01/328280301.db2.gz FCLMKOROQHOKGU-UHFFFAOYSA-N 1 1 355.398 2.279 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191971714 328291082 /nfs/dbraw/zinc/29/10/82/328291082.db2.gz ONTCIAYCTFWWRS-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])o1 ZINC000192221181 328307512 /nfs/dbraw/zinc/30/75/12/328307512.db2.gz LAXDACLCWWFLKQ-OAHLLOKOSA-N 1 1 359.382 2.209 20 5 FEBDMO CC1CCN(c2ccc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc2[N+](=O)[O-])CC1 ZINC000192498261 328322225 /nfs/dbraw/zinc/32/22/25/328322225.db2.gz VMDGXLCHDHRPJA-CALCHBBNSA-N 1 1 372.469 2.465 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000193895690 328400917 /nfs/dbraw/zinc/40/09/17/328400917.db2.gz ZFOTWYZEMFGUJE-CYBMUJFWSA-N 1 1 365.821 2.323 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000008896348 324363685 /nfs/dbraw/zinc/36/36/85/324363685.db2.gz VCYUYIRWRKBJHD-AWEZNQCLSA-N 1 1 355.441 2.238 20 5 FEBDMO NC(=O)c1ccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000022357148 324398715 /nfs/dbraw/zinc/39/87/15/324398715.db2.gz LMIYWHOMYJJOAR-UHFFFAOYSA-N 1 1 368.437 2.402 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081047804 325157285 /nfs/dbraw/zinc/15/72/85/325157285.db2.gz BQGUDNYGEOEJLH-CQSZACIVSA-N 1 1 361.320 2.231 20 5 FEBDMO [NH3+]CC1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000238021354 328538216 /nfs/dbraw/zinc/53/82/16/328538216.db2.gz YHIZFLBYYGHDMM-UHFFFAOYSA-N 1 1 368.242 2.451 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)COc3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000116668380 326029079 /nfs/dbraw/zinc/02/90/79/326029079.db2.gz PIYXTBGXKQYSGU-UHFFFAOYSA-N 1 1 370.409 2.462 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000118841622 326107622 /nfs/dbraw/zinc/10/76/22/326107622.db2.gz AWRXBBDPIGWRSE-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000118841622 326107624 /nfs/dbraw/zinc/10/76/24/326107624.db2.gz AWRXBBDPIGWRSE-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866591 326109652 /nfs/dbraw/zinc/10/96/52/326109652.db2.gz LLXOLMYWQPEBOY-MRXNPFEDSA-N 1 1 369.425 2.101 20 5 FEBDMO Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866591 326109653 /nfs/dbraw/zinc/10/96/53/326109653.db2.gz LLXOLMYWQPEBOY-MRXNPFEDSA-N 1 1 369.425 2.101 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000119071621 326124223 /nfs/dbraw/zinc/12/42/23/326124223.db2.gz SQPKHZOJVLUIRC-UHFFFAOYSA-N 1 1 366.443 2.427 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000120130855 326232983 /nfs/dbraw/zinc/23/29/83/326232983.db2.gz DKOQXCJROKXMRQ-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1C ZINC000121454715 326339709 /nfs/dbraw/zinc/33/97/09/326339709.db2.gz BRTLVZGQNFSXRG-WCQYABFASA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1C ZINC000121454715 326339712 /nfs/dbraw/zinc/33/97/12/326339712.db2.gz BRTLVZGQNFSXRG-WCQYABFASA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155472054 326788881 /nfs/dbraw/zinc/78/88/81/326788881.db2.gz XRWCWQIHBMWKOC-UHFFFAOYSA-N 1 1 364.446 2.372 20 5 FEBDMO CNC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161908816 327012249 /nfs/dbraw/zinc/01/22/49/327012249.db2.gz JGXCKDQVMWQLDN-ZBFHGGJFSA-N 1 1 358.442 2.408 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000164232125 327067055 /nfs/dbraw/zinc/06/70/55/327067055.db2.gz VABKQZMTMSFPDJ-JSGCOSHPSA-N 1 1 362.386 2.368 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000164529272 327071390 /nfs/dbraw/zinc/07/13/90/327071390.db2.gz KNYOHBOOBPVGIY-HNNXBMFYSA-N 1 1 357.414 2.113 20 5 FEBDMO C[NH+]1CCN([C@H](C(=O)NCc2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000171163275 327121937 /nfs/dbraw/zinc/12/19/37/327121937.db2.gz RGWKCLVMMAISNE-IBGZPJMESA-N 1 1 368.437 2.200 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172048853 327177747 /nfs/dbraw/zinc/17/77/47/327177747.db2.gz SFGBYFODSNYVCL-CBOPYJBQSA-N 1 1 363.414 2.023 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172048853 327177748 /nfs/dbraw/zinc/17/77/48/327177748.db2.gz SFGBYFODSNYVCL-CBOPYJBQSA-N 1 1 363.414 2.023 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)N2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172544422 327207239 /nfs/dbraw/zinc/20/72/39/327207239.db2.gz ISIZJDKDCNVWIW-ZDUSSCGKSA-N 1 1 362.430 2.101 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000173023881 327231021 /nfs/dbraw/zinc/23/10/21/327231021.db2.gz YIWXOEILHMGCRU-JTQLQIEISA-N 1 1 359.835 2.011 20 5 FEBDMO Cc1nn(C)c2ncc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc12 ZINC000173465050 327259042 /nfs/dbraw/zinc/25/90/42/327259042.db2.gz YJYRRIQBKGQSCR-CQSZACIVSA-N 1 1 367.413 2.266 20 5 FEBDMO COCCOC[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000174119937 327307349 /nfs/dbraw/zinc/30/73/49/327307349.db2.gz WPQDVGPOHBGPEL-CYBMUJFWSA-N 1 1 362.386 2.130 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174639486 327340860 /nfs/dbraw/zinc/34/08/60/327340860.db2.gz LUZJUDHXZKPZMZ-DGCLKSJQSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000174639486 327340861 /nfs/dbraw/zinc/34/08/61/327340861.db2.gz LUZJUDHXZKPZMZ-DGCLKSJQSA-N 1 1 355.822 2.165 20 5 FEBDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738122 327347563 /nfs/dbraw/zinc/34/75/63/327347563.db2.gz IJOUKVUOOFGVMW-AWEZNQCLSA-N 1 1 358.320 2.303 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000174880242 327357519 /nfs/dbraw/zinc/35/75/19/327357519.db2.gz KOMHUANCLAYPFP-CYBMUJFWSA-N 1 1 353.423 2.123 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000175393884 327390550 /nfs/dbraw/zinc/39/05/50/327390550.db2.gz QSOYFHYKEJERLU-GFCCVEGCSA-N 1 1 361.851 2.353 20 5 FEBDMO CCC(CC)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+]1CCOCC1 ZINC000175954385 327423965 /nfs/dbraw/zinc/42/39/65/327423965.db2.gz IYFSJCISHWKNGV-MRXNPFEDSA-N 1 1 364.446 2.044 20 5 FEBDMO C[C@@H](c1ccc(F)cc1F)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176230569 327442326 /nfs/dbraw/zinc/44/23/26/327442326.db2.gz KRBOLEMCQINAHF-ZDUSSCGKSA-N 1 1 365.384 2.448 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCSCC1 ZINC000264776985 329059492 /nfs/dbraw/zinc/05/94/92/329059492.db2.gz HOEBSYOLJUNHLI-LBPRGKRZSA-N 1 1 355.485 2.240 20 5 FEBDMO C[NH+]1CCC(O)(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000265893597 329170349 /nfs/dbraw/zinc/17/03/49/329170349.db2.gz SDAOASAFPIIFCX-UHFFFAOYSA-N 1 1 362.455 2.265 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000266181797 329198055 /nfs/dbraw/zinc/19/80/55/329198055.db2.gz YEGGFLUYQMTIMQ-UHFFFAOYSA-N 1 1 373.837 2.102 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266346045 329213580 /nfs/dbraw/zinc/21/35/80/329213580.db2.gz WDHGZZZMRSHPBT-NSHDSACASA-N 1 1 361.851 2.211 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000266530212 329233264 /nfs/dbraw/zinc/23/32/64/329233264.db2.gz LXOWVAJFZJAMIY-CJNGLKHVSA-N 1 1 350.806 2.295 20 5 FEBDMO COc1ccc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1O ZINC000266933262 329274322 /nfs/dbraw/zinc/27/43/22/329274322.db2.gz PIAPVTOODXONMZ-HNNXBMFYSA-N 1 1 362.382 2.181 20 5 FEBDMO COCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267036407 329285519 /nfs/dbraw/zinc/28/55/19/329285519.db2.gz NVDKMPOVRXSXIF-UHFFFAOYSA-N 1 1 353.394 2.099 20 5 FEBDMO Nc1c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000267333183 329315918 /nfs/dbraw/zinc/31/59/18/329315918.db2.gz QWBIUMYRDQZLQY-MRXNPFEDSA-N 1 1 368.437 2.471 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267479890 329331799 /nfs/dbraw/zinc/33/17/99/329331799.db2.gz UYFCITZMXVVAKW-CJNGLKHVSA-N 1 1 371.441 2.277 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268065188 329381739 /nfs/dbraw/zinc/38/17/39/329381739.db2.gz AOIHPYWUIKRHPE-CYBMUJFWSA-N 1 1 363.414 2.397 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000272508853 329786802 /nfs/dbraw/zinc/78/68/02/329786802.db2.gz UKTIDVKMMPGYER-UHFFFAOYSA-N 1 1 360.439 2.239 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000272531815 329789153 /nfs/dbraw/zinc/78/91/53/329789153.db2.gz NCTXXXLLHWKDPE-IRXDYDNUSA-N 1 1 360.414 2.203 20 5 FEBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000272598280 329795563 /nfs/dbraw/zinc/79/55/63/329795563.db2.gz XNMSVNDBUAHJRS-UHFFFAOYSA-N 1 1 352.822 2.280 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000367031221 330209135 /nfs/dbraw/zinc/20/91/35/330209135.db2.gz UNHHDUWUDRTBKR-YOEHRIQHSA-N 1 1 374.441 2.222 20 5 FEBDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)on1 ZINC000367150831 330223160 /nfs/dbraw/zinc/22/31/60/330223160.db2.gz JTIIYHPVRLTOSN-UHFFFAOYSA-N 1 1 374.397 2.333 20 5 FEBDMO COCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433187589 330275666 /nfs/dbraw/zinc/27/56/66/330275666.db2.gz OLVLOJIKOHYVDA-HUUCEWRRSA-N 1 1 370.471 2.179 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155363553 545517470 /nfs/dbraw/zinc/51/74/70/545517470.db2.gz NRIWZWCQJCIRGS-UHFFFAOYSA-N 1 1 364.446 2.372 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000157130018 545703666 /nfs/dbraw/zinc/70/36/66/545703666.db2.gz NLLQNAVSYUPBRH-RDTXWAMCSA-N 1 1 369.425 2.337 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000158557339 545872279 /nfs/dbraw/zinc/87/22/79/545872279.db2.gz USCCSKYZWXIMIW-LLVKDONJSA-N 1 1 359.473 2.294 20 5 FEBDMO Cc1c(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000159233402 545934714 /nfs/dbraw/zinc/93/47/14/545934714.db2.gz TXFAUFWFWYKEKN-QGZVFWFLSA-N 1 1 369.421 2.052 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159481028 545957084 /nfs/dbraw/zinc/95/70/84/545957084.db2.gz DWGXMXVNOVZCBK-WBMJQRKESA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159481028 545957088 /nfs/dbraw/zinc/95/70/88/545957088.db2.gz DWGXMXVNOVZCBK-WBMJQRKESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159803617 545981771 /nfs/dbraw/zinc/98/17/71/545981771.db2.gz PDGXVIRWSPBNAK-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000176484357 546452851 /nfs/dbraw/zinc/45/28/51/546452851.db2.gz ITYGXUMIUVXINQ-HNNXBMFYSA-N 1 1 368.865 2.250 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000480949958 561221060 /nfs/dbraw/zinc/22/10/60/561221060.db2.gz HGBVLPFSVWDEDD-GFCCVEGCSA-N 1 1 355.460 2.222 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cn2ccc3c2cccc3[N+](=O)[O-])C1 ZINC000178179517 546753088 /nfs/dbraw/zinc/75/30/88/546753088.db2.gz IUAXDBSVBLFEPB-OAHLLOKOSA-N 1 1 374.441 2.023 20 5 FEBDMO Cc1cnc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nc1 ZINC000481185576 561227442 /nfs/dbraw/zinc/22/74/42/561227442.db2.gz CZGFKHWQJILOQH-UHFFFAOYSA-N 1 1 367.413 2.282 20 5 FEBDMO Cc1cnc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)nc1 ZINC000481185576 561227443 /nfs/dbraw/zinc/22/74/43/561227443.db2.gz CZGFKHWQJILOQH-UHFFFAOYSA-N 1 1 367.413 2.282 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccccc1 ZINC000180199393 547066334 /nfs/dbraw/zinc/06/63/34/547066334.db2.gz OIEPXMZXWMXQOR-YOEHRIQHSA-N 1 1 358.373 2.491 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000483058192 561266213 /nfs/dbraw/zinc/26/62/13/561266213.db2.gz ZBMXPSARRDIXCJ-SUMWQHHRSA-N 1 1 363.414 2.192 20 5 FEBDMO CNC(=O)C[C@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000483409691 561276411 /nfs/dbraw/zinc/27/64/11/561276411.db2.gz PRRYRPQLQHYDPH-KRWDZBQOSA-N 1 1 370.409 2.309 20 5 FEBDMO CS(=O)(=O)C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181785743 547380495 /nfs/dbraw/zinc/38/04/95/547380495.db2.gz BSNNIJVRXYEJEW-SJORKVTESA-N 1 1 364.423 2.004 20 5 FEBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000182073111 547432184 /nfs/dbraw/zinc/43/21/84/547432184.db2.gz HKJXMNKVFQZDED-UHFFFAOYSA-N 1 1 361.398 2.414 20 5 FEBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182229888 547456939 /nfs/dbraw/zinc/45/69/39/547456939.db2.gz ZAWBHXKGGXVMKS-DZGCQCFKSA-N 1 1 360.414 2.077 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182429411 547491341 /nfs/dbraw/zinc/49/13/41/547491341.db2.gz QWPIXGVQNSCUTR-CJNGLKHVSA-N 1 1 362.430 2.229 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000484294007 561295761 /nfs/dbraw/zinc/29/57/61/561295761.db2.gz IIHVSPICGDFCLN-HNNXBMFYSA-N 1 1 350.419 2.277 20 5 FEBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000183545798 547678035 /nfs/dbraw/zinc/67/80/35/547678035.db2.gz LCBQKHPGOIFBGE-UHFFFAOYSA-N 1 1 373.438 2.373 20 5 FEBDMO CC[N@@H+](CCO)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000184538036 547842436 /nfs/dbraw/zinc/84/24/36/547842436.db2.gz FHBCNCHZUDJREJ-UHFFFAOYSA-N 1 1 350.444 2.122 20 5 FEBDMO CCN(CCO)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000184538036 547842439 /nfs/dbraw/zinc/84/24/39/547842439.db2.gz FHBCNCHZUDJREJ-UHFFFAOYSA-N 1 1 350.444 2.122 20 5 FEBDMO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000194773174 548530174 /nfs/dbraw/zinc/53/01/74/548530174.db2.gz UAQZTNXGZLEGGI-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO Cc1ccc(-n2cnc3c2CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C3)cc1 ZINC000487982010 561380575 /nfs/dbraw/zinc/38/05/75/561380575.db2.gz PRWJISOIIKOLOJ-UHFFFAOYSA-N 1 1 352.398 2.344 20 5 FEBDMO Cc1ccc(-n2cnc3c2CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C3)cc1 ZINC000487982010 561380576 /nfs/dbraw/zinc/38/05/76/561380576.db2.gz PRWJISOIIKOLOJ-UHFFFAOYSA-N 1 1 352.398 2.344 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095696 561383392 /nfs/dbraw/zinc/38/33/92/561383392.db2.gz RSQVTSVLPJXBIN-CXAGYDPISA-N 1 1 364.446 2.202 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)cc1 ZINC000245849670 549003813 /nfs/dbraw/zinc/00/38/13/549003813.db2.gz JCRASYOKRWUQJO-XJKSGUPXSA-N 1 1 363.805 2.006 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)cc1 ZINC000245849670 549003815 /nfs/dbraw/zinc/00/38/15/549003815.db2.gz JCRASYOKRWUQJO-XJKSGUPXSA-N 1 1 363.805 2.006 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246051873 549041806 /nfs/dbraw/zinc/04/18/06/549041806.db2.gz VZZCERMFEXYGTL-CXAGYDPISA-N 1 1 355.398 2.303 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246051873 549041809 /nfs/dbraw/zinc/04/18/09/549041809.db2.gz VZZCERMFEXYGTL-CXAGYDPISA-N 1 1 355.398 2.303 20 5 FEBDMO O=C1C[C@H](c2ccccc2)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000246212701 549079502 /nfs/dbraw/zinc/07/95/02/549079502.db2.gz CORHVHJEAADZCN-QZTJIDSGSA-N 1 1 355.394 2.191 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246390767 549123012 /nfs/dbraw/zinc/12/30/12/549123012.db2.gz VPKJFPNPEBHJNP-WFASDCNBSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246390767 549123014 /nfs/dbraw/zinc/12/30/14/549123014.db2.gz VPKJFPNPEBHJNP-WFASDCNBSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000246520459 549151862 /nfs/dbraw/zinc/15/18/62/549151862.db2.gz KSVRFLVIDRCWRI-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@H+]1C[C@H](C)O ZINC000246952609 549250153 /nfs/dbraw/zinc/25/01/53/549250153.db2.gz IBWGYLOABXOEAL-UONOGXRCSA-N 1 1 350.419 2.212 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247734452 549375334 /nfs/dbraw/zinc/37/53/34/549375334.db2.gz VIWQKCSLKQQOKZ-OLZOCXBDSA-N 1 1 351.403 2.431 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H](O)CCc3ccccc3)C2)nc1 ZINC000248568700 549459797 /nfs/dbraw/zinc/45/97/97/549459797.db2.gz LNWSSGLSTMUDCD-AEFFLSMTSA-N 1 1 356.426 2.470 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000249210130 549569920 /nfs/dbraw/zinc/56/99/20/549569920.db2.gz SKDOLHNTFJSKBI-SWLSCSKDSA-N 1 1 362.430 2.030 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000249259690 549573208 /nfs/dbraw/zinc/57/32/08/549573208.db2.gz YWMRNZBJVUMNFA-CABCVRRESA-N 1 1 369.487 2.177 20 5 FEBDMO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000263652047 549913825 /nfs/dbraw/zinc/91/38/25/549913825.db2.gz HHDOVVFUISAFDN-QGZVFWFLSA-N 1 1 371.441 2.189 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491113701 561443010 /nfs/dbraw/zinc/44/30/10/561443010.db2.gz MKYXSWPWUNPXAG-UHFFFAOYSA-N 1 1 366.437 2.110 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491113701 561443011 /nfs/dbraw/zinc/44/30/11/561443011.db2.gz MKYXSWPWUNPXAG-UHFFFAOYSA-N 1 1 366.437 2.110 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000266068386 550016700 /nfs/dbraw/zinc/01/67/00/550016700.db2.gz CDASOUYOTIWXOF-OAHLLOKOSA-N 1 1 373.413 2.163 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000266068386 550016701 /nfs/dbraw/zinc/01/67/01/550016701.db2.gz CDASOUYOTIWXOF-OAHLLOKOSA-N 1 1 373.413 2.163 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000268907530 550130095 /nfs/dbraw/zinc/13/00/95/550130095.db2.gz LSCNLTLPQBGXHE-GJZGRUSLSA-N 1 1 362.430 2.229 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147485 550160798 /nfs/dbraw/zinc/16/07/98/550160798.db2.gz QBLHMMYQYJMXBQ-DGCLKSJQSA-N 1 1 373.862 2.353 20 5 FEBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](CO)c1ccccc1 ZINC000269405355 550191625 /nfs/dbraw/zinc/19/16/25/550191625.db2.gz DEAXGQKOSXTYLP-SFHVURJKSA-N 1 1 355.394 2.149 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H](CO)c1ccccc1 ZINC000269405355 550191628 /nfs/dbraw/zinc/19/16/28/550191628.db2.gz DEAXGQKOSXTYLP-SFHVURJKSA-N 1 1 355.394 2.149 20 5 FEBDMO COCCOC[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271174208 550348354 /nfs/dbraw/zinc/34/83/54/550348354.db2.gz GGLYPAACOWRNTN-ZDUSSCGKSA-N 1 1 354.403 2.097 20 5 FEBDMO COc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000272833481 550472668 /nfs/dbraw/zinc/47/26/68/550472668.db2.gz NICOWUQKGUWYGI-OAHLLOKOSA-N 1 1 366.418 2.082 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273402787 550497404 /nfs/dbraw/zinc/49/74/04/550497404.db2.gz PGZLXYINFZJWFB-FMKPAKJESA-N 1 1 352.431 2.063 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCN(c3ncc(F)cn3)CC2)cc1 ZINC000273762148 550510689 /nfs/dbraw/zinc/51/06/89/550510689.db2.gz UYTXVWCTPHPQPX-UHFFFAOYSA-N 1 1 361.377 2.115 20 5 FEBDMO CCOC(=O)CC[N@H+](Cc1cccnc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274146576 550525134 /nfs/dbraw/zinc/52/51/34/550525134.db2.gz HTDDKORWWLFUGF-SFHVURJKSA-N 1 1 373.409 2.479 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277019819 550622598 /nfs/dbraw/zinc/62/25/98/550622598.db2.gz AIZHBPBYCNREGB-OZAJXLCCSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000277019819 550622600 /nfs/dbraw/zinc/62/26/00/550622600.db2.gz AIZHBPBYCNREGB-OZAJXLCCSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[S@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277184695 550641023 /nfs/dbraw/zinc/64/10/23/550641023.db2.gz LMTQBQBHIQABBT-OIRASMEMSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[S@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277184695 550641025 /nfs/dbraw/zinc/64/10/25/550641025.db2.gz LMTQBQBHIQABBT-OIRASMEMSA-N 1 1 353.444 2.075 20 5 FEBDMO C[N@@H+](CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000278132573 550752911 /nfs/dbraw/zinc/75/29/11/550752911.db2.gz MZGDTPNJGBPQTP-UHFFFAOYSA-N 1 1 360.418 2.145 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000278365949 550777446 /nfs/dbraw/zinc/77/74/46/550777446.db2.gz BNVBNDAPRGMQCJ-CYBMUJFWSA-N 1 1 360.414 2.421 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000278448639 550787362 /nfs/dbraw/zinc/78/73/62/550787362.db2.gz AEDYCAQBTCWXIJ-CYBMUJFWSA-N 1 1 372.425 2.401 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000495136788 561482998 /nfs/dbraw/zinc/48/29/98/561482998.db2.gz FWYZCLRWVCRNJE-UHFFFAOYSA-N 1 1 356.382 2.269 20 5 FEBDMO O=C1C[C@@]2(CC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CN1 ZINC000279395774 550885514 /nfs/dbraw/zinc/88/55/14/550885514.db2.gz KOLCWRVILFEDEN-KRWDZBQOSA-N 1 1 358.423 2.430 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000279854452 550936218 /nfs/dbraw/zinc/93/62/18/550936218.db2.gz PFCOWLZGQDPSMH-MEBBXXQBSA-N 1 1 355.797 2.482 20 5 FEBDMO C[C@@H]1OCC[C@@]12C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969354 550948267 /nfs/dbraw/zinc/94/82/67/550948267.db2.gz YUJKKLYQPZSVKY-QWQRMKEZSA-N 1 1 363.414 2.192 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658500 551018628 /nfs/dbraw/zinc/01/86/28/551018628.db2.gz DSUJMWUPJQAXSG-GTNSWQLSSA-N 1 1 359.386 2.164 20 5 FEBDMO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281342923 551086913 /nfs/dbraw/zinc/08/69/13/551086913.db2.gz KAKCGKWZFMXDIJ-HOCLYGCPSA-N 1 1 360.414 2.295 20 5 FEBDMO Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281342923 551086914 /nfs/dbraw/zinc/08/69/14/551086914.db2.gz KAKCGKWZFMXDIJ-HOCLYGCPSA-N 1 1 360.414 2.295 20 5 FEBDMO CS(=O)(=O)c1cccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000497536864 561503364 /nfs/dbraw/zinc/50/33/64/561503364.db2.gz DPNHDVLFEQLPNG-LLVKDONJSA-N 1 1 350.400 2.105 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157288 551320664 /nfs/dbraw/zinc/32/06/64/551320664.db2.gz CTLRIEYBOSKLSG-OCCSQVGLSA-N 1 1 361.320 2.311 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497957986 561512370 /nfs/dbraw/zinc/51/23/70/561512370.db2.gz GGARNHZXIAUNIA-DZGCQCFKSA-N 1 1 370.409 2.336 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000284641701 551596888 /nfs/dbraw/zinc/59/68/88/551596888.db2.gz OBWIAWDRKYHZEK-HIFRSBDPSA-N 1 1 357.357 2.101 20 5 FEBDMO C[N@@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000284707525 551613454 /nfs/dbraw/zinc/61/34/54/551613454.db2.gz GVRLLDLNHOWIHE-HNNXBMFYSA-N 1 1 355.398 2.380 20 5 FEBDMO C[N@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000284707525 551613457 /nfs/dbraw/zinc/61/34/57/551613457.db2.gz GVRLLDLNHOWIHE-HNNXBMFYSA-N 1 1 355.398 2.380 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285427468 551754753 /nfs/dbraw/zinc/75/47/53/551754753.db2.gz WIICBAGISUHPGA-ZDUSSCGKSA-N 1 1 370.409 2.195 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285427468 551754754 /nfs/dbraw/zinc/75/47/54/551754754.db2.gz WIICBAGISUHPGA-ZDUSSCGKSA-N 1 1 370.409 2.195 20 5 FEBDMO O=[N+]([O-])c1ccn(CCN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000285453164 551759192 /nfs/dbraw/zinc/75/91/92/551759192.db2.gz GKGWOZRPKTWUKW-IBGZPJMESA-N 1 1 355.442 2.389 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498922076 561537976 /nfs/dbraw/zinc/53/79/76/561537976.db2.gz BFMNSIFFGZZSSZ-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498922076 561537977 /nfs/dbraw/zinc/53/79/77/561537977.db2.gz BFMNSIFFGZZSSZ-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498922076 561537978 /nfs/dbraw/zinc/53/79/78/561537978.db2.gz BFMNSIFFGZZSSZ-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO C[N@@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000285775288 551808844 /nfs/dbraw/zinc/80/88/44/551808844.db2.gz MJGOQPCPURXPDF-HNNXBMFYSA-N 1 1 354.410 2.176 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000285775288 551808845 /nfs/dbraw/zinc/80/88/45/551808845.db2.gz MJGOQPCPURXPDF-HNNXBMFYSA-N 1 1 354.410 2.176 20 5 FEBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286133160 551852799 /nfs/dbraw/zinc/85/27/99/551852799.db2.gz WMCQFUDVQLOXKS-NEPJUHHUSA-N 1 1 371.384 2.236 20 5 FEBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286133160 551852800 /nfs/dbraw/zinc/85/28/00/551852800.db2.gz WMCQFUDVQLOXKS-NEPJUHHUSA-N 1 1 371.384 2.236 20 5 FEBDMO COC(=O)c1cnc(N(C)CCC[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000286551989 551899178 /nfs/dbraw/zinc/89/91/78/551899178.db2.gz OVPZLOVPMUOFJO-UHFFFAOYSA-N 1 1 362.386 2.328 20 5 FEBDMO O=C([C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1)N1CCCC1 ZINC000287428960 552003130 /nfs/dbraw/zinc/00/31/30/552003130.db2.gz PKJTYMNFBNRREX-AWEZNQCLSA-N 1 1 371.397 2.089 20 5 FEBDMO O=C([C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1)N1CCCC1 ZINC000287428960 552003132 /nfs/dbraw/zinc/00/31/32/552003132.db2.gz PKJTYMNFBNRREX-AWEZNQCLSA-N 1 1 371.397 2.089 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000287752615 552042221 /nfs/dbraw/zinc/04/22/21/552042221.db2.gz TWFGQWZYWSIEOT-ILXRZTDVSA-N 1 1 364.446 2.061 20 5 FEBDMO COc1ccccc1[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+](C)C ZINC000499737930 561557351 /nfs/dbraw/zinc/55/73/51/561557351.db2.gz CBSZKQODKBPCIK-HNNXBMFYSA-N 1 1 358.398 2.218 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000288823514 552219382 /nfs/dbraw/zinc/21/93/82/552219382.db2.gz IJERFZIRCGTCTO-DLBZAZTESA-N 1 1 373.457 2.415 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000289266373 552291988 /nfs/dbraw/zinc/29/19/88/552291988.db2.gz ARVCSMASIQJBQF-LBPRGKRZSA-N 1 1 359.423 2.147 20 5 FEBDMO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000289779985 552377138 /nfs/dbraw/zinc/37/71/38/552377138.db2.gz LCBFLMPPJINELX-UHFFFAOYSA-N 1 1 374.485 2.409 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500876868 561584834 /nfs/dbraw/zinc/58/48/34/561584834.db2.gz TYCWUQCCHIUFAI-HNNXBMFYSA-N 1 1 362.474 2.015 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000291911100 552674061 /nfs/dbraw/zinc/67/40/61/552674061.db2.gz QQMIYHLMSLOEAK-ZFWWWQNUSA-N 1 1 357.414 2.030 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292123086 552695983 /nfs/dbraw/zinc/69/59/83/552695983.db2.gz KJXCRKQLHXCEGS-MRXNPFEDSA-N 1 1 352.822 2.214 20 5 FEBDMO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292354794 552719101 /nfs/dbraw/zinc/71/91/01/552719101.db2.gz PZGFDWVLFJNNDK-WBVHZDCISA-N 1 1 363.458 2.141 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000292501651 552732637 /nfs/dbraw/zinc/73/26/37/552732637.db2.gz GZPBHDSCZINWPG-INIZCTEOSA-N 1 1 355.341 2.364 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000292655161 552746694 /nfs/dbraw/zinc/74/66/94/552746694.db2.gz LGZWYIQWFKPGAM-CYBMUJFWSA-N 1 1 351.403 2.023 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292916083 552770823 /nfs/dbraw/zinc/77/08/23/552770823.db2.gz XNKQIGOKSWGYIZ-MRXNPFEDSA-N 1 1 353.444 2.010 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CO)CC1 ZINC000293304440 552809687 /nfs/dbraw/zinc/80/96/87/552809687.db2.gz WPWGHBYTGDMWOX-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000294313151 552896039 /nfs/dbraw/zinc/89/60/39/552896039.db2.gz WLJAFVZHPPQXMS-GOSISDBHSA-N 1 1 364.421 2.358 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000295639670 553038166 /nfs/dbraw/zinc/03/81/66/553038166.db2.gz ZZLPLZVALLOZCU-ZDUSSCGKSA-N 1 1 363.439 2.386 20 5 FEBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])n3C)c2)CCO1 ZINC000502420249 561617998 /nfs/dbraw/zinc/61/79/98/561617998.db2.gz YWRASFCOKAGSBI-AWEZNQCLSA-N 1 1 372.425 2.084 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])n3C)c2)CCO1 ZINC000502420249 561617999 /nfs/dbraw/zinc/61/79/99/561617999.db2.gz YWRASFCOKAGSBI-AWEZNQCLSA-N 1 1 372.425 2.084 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296219445 553124649 /nfs/dbraw/zinc/12/46/49/553124649.db2.gz KCBXNBYIHFMDNY-HNNXBMFYSA-N 1 1 351.790 2.075 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000502659006 561622926 /nfs/dbraw/zinc/62/29/26/561622926.db2.gz UJXZIDJGQIGEDE-NSHDSACASA-N 1 1 366.443 2.331 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[N@H+](C)CCN(C)C ZINC000296633664 553190633 /nfs/dbraw/zinc/19/06/33/553190633.db2.gz NURJAIFWENQHBE-UHFFFAOYSA-N 1 1 351.451 2.217 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCN(C)CC[NH+](C)C ZINC000296633664 553190635 /nfs/dbraw/zinc/19/06/35/553190635.db2.gz NURJAIFWENQHBE-UHFFFAOYSA-N 1 1 351.451 2.217 20 5 FEBDMO Cc1c(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000296807510 553214461 /nfs/dbraw/zinc/21/44/61/553214461.db2.gz RFJFVJCFQIEMGG-CQSZACIVSA-N 1 1 353.419 2.221 20 5 FEBDMO CC(C)(CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[N+](=O)[O-] ZINC000296897645 553226684 /nfs/dbraw/zinc/22/66/84/553226684.db2.gz VRPMJSTXZVATNA-KRWDZBQOSA-N 1 1 363.458 2.229 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[C@@H](C)C1 ZINC000296966515 553236297 /nfs/dbraw/zinc/23/62/97/553236297.db2.gz CXHDBRYBAIPJQA-GXTWGEPZSA-N 1 1 355.460 2.165 20 5 FEBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000298240246 553402543 /nfs/dbraw/zinc/40/25/43/553402543.db2.gz CPSUKNPUSQLFTD-NSHDSACASA-N 1 1 350.375 2.368 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000299197273 553529231 /nfs/dbraw/zinc/52/92/31/553529231.db2.gz FHYHOFUSNHXTTB-CQSZACIVSA-N 1 1 362.430 2.032 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299255057 553537447 /nfs/dbraw/zinc/53/74/47/553537447.db2.gz JXGNTAAUKYMKQG-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301277137 553638430 /nfs/dbraw/zinc/63/84/30/553638430.db2.gz ZEILLNJCAAPZDG-FRRDWIJNSA-N 1 1 370.475 2.021 20 5 FEBDMO CN(C)c1nc(N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000301354645 553645036 /nfs/dbraw/zinc/64/50/36/553645036.db2.gz LTYZOTOSLUMLIK-UHFFFAOYSA-N 1 1 362.821 2.431 20 5 FEBDMO O=[N+]([O-])c1c(NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nc2sccn21 ZINC000301840041 553684653 /nfs/dbraw/zinc/68/46/53/553684653.db2.gz ADNKTMMFELIWFK-UONOGXRCSA-N 1 1 373.438 2.351 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(NCc3cccc(C[NH+]4CCOCC4)c3)nn21 ZINC000301839381 553684706 /nfs/dbraw/zinc/68/47/06/553684706.db2.gz OBUALDWIUPEJNJ-UHFFFAOYSA-N 1 1 368.397 2.082 20 5 FEBDMO O=[N+]([O-])c1c(NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nc2sccn21 ZINC000301840039 553684860 /nfs/dbraw/zinc/68/48/60/553684860.db2.gz ADNKTMMFELIWFK-KBPBESRZSA-N 1 1 373.438 2.351 20 5 FEBDMO COCc1cc([N+](=O)[O-])ccc1N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000301845719 553685224 /nfs/dbraw/zinc/68/52/24/553685224.db2.gz MHDLSROSWKCYAG-JJTKIYQPSA-N 1 1 374.485 2.488 20 5 FEBDMO CCC[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000302021751 553698254 /nfs/dbraw/zinc/69/82/54/553698254.db2.gz OHGKLTZROZQUJE-HNNXBMFYSA-N 1 1 356.430 2.458 20 5 FEBDMO CCOc1cccc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1[N+](=O)[O-] ZINC000302127810 553705571 /nfs/dbraw/zinc/70/55/71/553705571.db2.gz BCXBKJYDGVFVGB-UHFFFAOYSA-N 1 1 372.429 2.176 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302156347 553707207 /nfs/dbraw/zinc/70/72/07/553707207.db2.gz WFNOIDGUYIYTBI-CYBMUJFWSA-N 1 1 370.475 2.165 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)nc1 ZINC000302177439 553708568 /nfs/dbraw/zinc/70/85/68/553708568.db2.gz XTOKTPPITVNAER-UHFFFAOYSA-N 1 1 363.805 2.239 20 5 FEBDMO Cc1nc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302482548 553718496 /nfs/dbraw/zinc/71/84/96/553718496.db2.gz WWPVPPQDFUGHBO-IBGZPJMESA-N 1 1 356.426 2.371 20 5 FEBDMO CCc1ccc([C@@H]2CN(C(=O)c3nn(CC)cc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000505461430 561671460 /nfs/dbraw/zinc/67/14/60/561671460.db2.gz RHVZIKKIQRRWFB-HNNXBMFYSA-N 1 1 357.414 2.160 20 5 FEBDMO Cn1c2ccc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2oc1=O ZINC000506943162 561712082 /nfs/dbraw/zinc/71/20/82/561712082.db2.gz NCJPFDGBNWILLY-UHFFFAOYSA-N 1 1 368.393 2.362 20 5 FEBDMO COc1cc(C[NH2+]CC(=O)Nc2cccc(F)c2)c([N+](=O)[O-])cc1OC ZINC000507922686 561746187 /nfs/dbraw/zinc/74/61/87/561746187.db2.gz LSNGVVXAARFZMJ-UHFFFAOYSA-N 1 1 363.345 2.479 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000331323772 554247075 /nfs/dbraw/zinc/24/70/75/554247075.db2.gz MPMLOSKBMIMAFF-ZYHUDNBSSA-N 1 1 370.247 2.499 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331378469 554254194 /nfs/dbraw/zinc/25/41/94/554254194.db2.gz LUSVRVANQDPWIS-GJZGRUSLSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331378469 554254196 /nfs/dbraw/zinc/25/41/96/554254196.db2.gz LUSVRVANQDPWIS-GJZGRUSLSA-N 1 1 374.441 2.256 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000331450523 554266594 /nfs/dbraw/zinc/26/65/94/554266594.db2.gz FOUFBFMXNCWDQX-XPTSAGLGSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000331450523 554266596 /nfs/dbraw/zinc/26/65/96/554266596.db2.gz FOUFBFMXNCWDQX-XPTSAGLGSA-N 1 1 373.862 2.318 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000331941910 554349586 /nfs/dbraw/zinc/34/95/86/554349586.db2.gz OEVHKUDRNKYIHT-CHWSQXEVSA-N 1 1 357.414 2.160 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332186602 554396821 /nfs/dbraw/zinc/39/68/21/554396821.db2.gz VXEOXMMFZDHIPJ-CYBMUJFWSA-N 1 1 363.414 2.074 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000332316748 554423703 /nfs/dbraw/zinc/42/37/03/554423703.db2.gz YRBWYCZAVOSLRG-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332589458 554477626 /nfs/dbraw/zinc/47/76/26/554477626.db2.gz MSORCXGCRCYEBT-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC(=O)NC1CCCCC1 ZINC000511127461 561858172 /nfs/dbraw/zinc/85/81/72/561858172.db2.gz VPKUTPHLKQCMGU-UHFFFAOYSA-N 1 1 362.430 2.228 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC(=O)NC1CCCCC1 ZINC000511127461 561858173 /nfs/dbraw/zinc/85/81/73/561858173.db2.gz VPKUTPHLKQCMGU-UHFFFAOYSA-N 1 1 362.430 2.228 20 5 FEBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n1)OC2 ZINC000350342982 554781346 /nfs/dbraw/zinc/78/13/46/554781346.db2.gz UTBXFMXOQBBTNG-DYVFJYSZSA-N 1 1 374.353 2.299 20 5 FEBDMO C[C@H]1C[C@@H](c2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1C ZINC000351212321 554843938 /nfs/dbraw/zinc/84/39/38/554843938.db2.gz IYAGKJNXDBZOSX-JSGCOSHPSA-N 1 1 373.413 2.034 20 5 FEBDMO O=[N+]([O-])c1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414028 555099712 /nfs/dbraw/zinc/09/97/12/555099712.db2.gz JGVNAQGTPCEILX-NXHRZFHOSA-N 1 1 359.426 2.377 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3N3CCOCC3)C2)c1 ZINC000364328629 555292535 /nfs/dbraw/zinc/29/25/35/555292535.db2.gz OFHOJAWKHKAXCO-QGZVFWFLSA-N 1 1 371.441 2.465 20 5 FEBDMO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364343311 555295518 /nfs/dbraw/zinc/29/55/18/555295518.db2.gz OMAGYGMJRCIYDG-INIZCTEOSA-N 1 1 357.414 2.087 20 5 FEBDMO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364343311 555295522 /nfs/dbraw/zinc/29/55/22/555295522.db2.gz OMAGYGMJRCIYDG-INIZCTEOSA-N 1 1 357.414 2.087 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556830 555337648 /nfs/dbraw/zinc/33/76/48/555337648.db2.gz KQFYUJUJCZEKQU-XNRPHZJLSA-N 1 1 365.405 2.353 20 5 FEBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000364573336 555342778 /nfs/dbraw/zinc/34/27/78/555342778.db2.gz XUXUUOIIEOYGQO-BBRMVZONSA-N 1 1 372.429 2.088 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364871201 555421232 /nfs/dbraw/zinc/42/12/32/555421232.db2.gz JZFHOZLNJDCVCR-HUUCEWRRSA-N 1 1 369.368 2.056 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364871201 555421233 /nfs/dbraw/zinc/42/12/33/555421233.db2.gz JZFHOZLNJDCVCR-HUUCEWRRSA-N 1 1 369.368 2.056 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187255 555505580 /nfs/dbraw/zinc/50/55/80/555505580.db2.gz RGOINJBKBULRAH-RYUDHWBXSA-N 1 1 354.794 2.233 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(n4cncn4)CC3)n2)cc1 ZINC000365368470 555555590 /nfs/dbraw/zinc/55/55/90/555555590.db2.gz RHZSSLUUWWAQTI-UHFFFAOYSA-N 1 1 355.358 2.073 20 5 FEBDMO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000513184231 561928291 /nfs/dbraw/zinc/92/82/91/561928291.db2.gz QFDSXDQSNSTVED-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000513184231 561928293 /nfs/dbraw/zinc/92/82/93/561928293.db2.gz QFDSXDQSNSTVED-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@H]2[C@H]1c1ccccc1 ZINC000365629526 555627075 /nfs/dbraw/zinc/62/70/75/555627075.db2.gz MYEYRENIWPRXBH-BFYDXBDKSA-N 1 1 368.393 2.070 20 5 FEBDMO CSc1ccc(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000366677477 555906364 /nfs/dbraw/zinc/90/63/64/555906364.db2.gz KQMKAIGVMLXYHU-UHFFFAOYSA-N 1 1 367.471 2.236 20 5 FEBDMO Nc1nccc([C@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000366983770 555989290 /nfs/dbraw/zinc/98/92/90/555989290.db2.gz SOCLGYSTLZGRHJ-NSHDSACASA-N 1 1 354.370 2.488 20 5 FEBDMO Nc1nccc([C@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000366983770 555989292 /nfs/dbraw/zinc/98/92/92/555989292.db2.gz SOCLGYSTLZGRHJ-NSHDSACASA-N 1 1 354.370 2.488 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830695 556149326 /nfs/dbraw/zinc/14/93/26/556149326.db2.gz IHWDFFPQHLRFEN-DOTOQJQBSA-N 1 1 363.458 2.283 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000515257067 562002507 /nfs/dbraw/zinc/00/25/07/562002507.db2.gz QQRKTZCBOSWNFK-AWEZNQCLSA-N 1 1 357.476 2.177 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)cn1 ZINC000368945346 556455207 /nfs/dbraw/zinc/45/52/07/556455207.db2.gz JINYKOCWEVYZDK-UHFFFAOYSA-N 1 1 366.381 2.305 20 5 FEBDMO C[C@@H](CO)[N@H+]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000368966047 556461740 /nfs/dbraw/zinc/46/17/40/556461740.db2.gz NFRZPEJKQDUBNI-AWEZNQCLSA-N 1 1 360.414 2.138 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369069120 556496550 /nfs/dbraw/zinc/49/65/50/556496550.db2.gz YNUGSHBSLORNTA-HNNXBMFYSA-N 1 1 374.441 2.222 20 5 FEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCn3c(nnc3-c3cccnc3)C2)cc1 ZINC000369407308 556593904 /nfs/dbraw/zinc/59/39/04/556593904.db2.gz GICKAKWUAVMZQR-UHFFFAOYSA-N 1 1 350.382 2.307 20 5 FEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCn3c(nnc3-c3cccnc3)C2)cc1 ZINC000369407308 556593906 /nfs/dbraw/zinc/59/39/06/556593906.db2.gz GICKAKWUAVMZQR-UHFFFAOYSA-N 1 1 350.382 2.307 20 5 FEBDMO CCOc1ccccc1NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369491887 556610505 /nfs/dbraw/zinc/61/05/05/556610505.db2.gz SVHFLCHIKAQDRW-UHFFFAOYSA-N 1 1 373.413 2.466 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000516354950 562040694 /nfs/dbraw/zinc/04/06/94/562040694.db2.gz CONQRLNZDGTYDX-DOMZBBRYSA-N 1 1 351.451 2.129 20 5 FEBDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000369785370 556694530 /nfs/dbraw/zinc/69/45/30/556694530.db2.gz XGPTUPJYCGOLIT-OAHLLOKOSA-N 1 1 372.429 2.296 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928980 556733249 /nfs/dbraw/zinc/73/32/49/556733249.db2.gz GBAQPGZPIWEXGJ-GOEBONIOSA-N 1 1 369.425 2.444 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000370039109 556764227 /nfs/dbraw/zinc/76/42/27/556764227.db2.gz VUOFWBLEYHTMFI-GOSISDBHSA-N 1 1 362.474 2.205 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000370055545 556768498 /nfs/dbraw/zinc/76/84/98/556768498.db2.gz KIGSYWKJGSKCQQ-UHFFFAOYSA-N 1 1 358.398 2.128 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000370055545 556768501 /nfs/dbraw/zinc/76/85/01/556768501.db2.gz KIGSYWKJGSKCQQ-UHFFFAOYSA-N 1 1 358.398 2.128 20 5 FEBDMO NC(=O)C1([NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)CCCC1 ZINC000370238788 556819607 /nfs/dbraw/zinc/81/96/07/556819607.db2.gz ONIDTHOZEXACLB-UHFFFAOYSA-N 1 1 369.425 2.063 20 5 FEBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000370263390 556824232 /nfs/dbraw/zinc/82/42/32/556824232.db2.gz XGNLPMKDXYLBBL-UHFFFAOYSA-N 1 1 366.381 2.243 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689124 556940750 /nfs/dbraw/zinc/94/07/50/556940750.db2.gz KBGVKHFOBRDKAV-ROUUACIJSA-N 1 1 374.441 2.132 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000370915899 557014454 /nfs/dbraw/zinc/01/44/54/557014454.db2.gz DYMAQALNMXFMBG-KSSFIOAISA-N 1 1 371.441 2.450 20 5 FEBDMO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371492065 557199160 /nfs/dbraw/zinc/19/91/60/557199160.db2.gz AKGDGIVLNZIJMU-RDJZCZTQSA-N 1 1 371.441 2.208 20 5 FEBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371533084 557212498 /nfs/dbraw/zinc/21/24/98/557212498.db2.gz DDBSQRBRMYHZLZ-SGMGOOAPSA-N 1 1 373.438 2.156 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000518069344 562103640 /nfs/dbraw/zinc/10/36/40/562103640.db2.gz OJXMVSXURLWASG-BETUJISGSA-N 1 1 363.414 2.359 20 5 FEBDMO Nc1c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc(F)cc1[N+](=O)[O-] ZINC000518175913 562105773 /nfs/dbraw/zinc/10/57/73/562105773.db2.gz LAXDZTILSAEVPP-UHFFFAOYSA-N 1 1 358.373 2.104 20 5 FEBDMO Nc1c(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc(F)cc1[N+](=O)[O-] ZINC000518175913 562105774 /nfs/dbraw/zinc/10/57/74/562105774.db2.gz LAXDZTILSAEVPP-UHFFFAOYSA-N 1 1 358.373 2.104 20 5 FEBDMO COc1cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000372134490 557388501 /nfs/dbraw/zinc/38/85/01/557388501.db2.gz RCHZUULSBLFLAJ-UHFFFAOYSA-N 1 1 366.414 2.384 20 5 FEBDMO COc1cc(C[N@H+]2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])cc1OC ZINC000372134490 557388503 /nfs/dbraw/zinc/38/85/03/557388503.db2.gz RCHZUULSBLFLAJ-UHFFFAOYSA-N 1 1 366.414 2.384 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000518974183 562122265 /nfs/dbraw/zinc/12/22/65/562122265.db2.gz VSPNSWWUJOXDEM-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518976122 562122393 /nfs/dbraw/zinc/12/23/93/562122393.db2.gz VCNZZGDBVHFDPO-LBPRGKRZSA-N 1 1 359.835 2.105 20 5 FEBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518976122 562122394 /nfs/dbraw/zinc/12/23/94/562122394.db2.gz VCNZZGDBVHFDPO-LBPRGKRZSA-N 1 1 359.835 2.105 20 5 FEBDMO O=C1OCC[C@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]12 ZINC000372353129 557448070 /nfs/dbraw/zinc/44/80/70/557448070.db2.gz CKLNIVCVBVBKLU-SJKOYZFVSA-N 1 1 357.366 2.430 20 5 FEBDMO O=C1OCC[C@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]12 ZINC000372353129 557448072 /nfs/dbraw/zinc/44/80/72/557448072.db2.gz CKLNIVCVBVBKLU-SJKOYZFVSA-N 1 1 357.366 2.430 20 5 FEBDMO O=C([C@@H]1CCCO1)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372434591 557469583 /nfs/dbraw/zinc/46/95/83/557469583.db2.gz CRXLKFWRZMMKLE-JGIVAVPZSA-N 1 1 359.426 2.321 20 5 FEBDMO O=C([C@@H]1CCCO1)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372434591 557469585 /nfs/dbraw/zinc/46/95/85/557469585.db2.gz CRXLKFWRZMMKLE-JGIVAVPZSA-N 1 1 359.426 2.321 20 5 FEBDMO CN1CCC[C@]2(CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1=O ZINC000372547048 557500155 /nfs/dbraw/zinc/50/01/55/557500155.db2.gz MDUFNABKXLKSPA-GOSISDBHSA-N 1 1 371.397 2.089 20 5 FEBDMO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)[C@@H]1C ZINC000373246260 557657665 /nfs/dbraw/zinc/65/76/65/557657665.db2.gz VSRLXGUEXVNOLZ-FMKPAKJESA-N 1 1 363.462 2.369 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471138 557699844 /nfs/dbraw/zinc/69/98/44/557699844.db2.gz KJVICLYMSZBBDF-LSDHHAIUSA-N 1 1 364.450 2.012 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000520377923 562154945 /nfs/dbraw/zinc/15/49/45/562154945.db2.gz WEBJCXKUAQPVGR-HNNXBMFYSA-N 1 1 350.419 2.147 20 5 FEBDMO C[C@H]1CCC[N@@H+](C(C)(C)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396981 562155460 /nfs/dbraw/zinc/15/54/60/562155460.db2.gz XJFKHGMTXKNTSR-RDJZCZTQSA-N 1 1 365.474 2.435 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396981 562155461 /nfs/dbraw/zinc/15/54/61/562155461.db2.gz XJFKHGMTXKNTSR-RDJZCZTQSA-N 1 1 365.474 2.435 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000373809619 557764267 /nfs/dbraw/zinc/76/42/67/557764267.db2.gz JVCKAHRIFDJRGP-RDTXWAMCSA-N 1 1 363.414 2.193 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000520760724 562163070 /nfs/dbraw/zinc/16/30/70/562163070.db2.gz GMBOSFXVONHWAF-BETUJISGSA-N 1 1 363.414 2.359 20 5 FEBDMO O=C(C[NH+]1CCC(c2c[nH]cn2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374212036 557844027 /nfs/dbraw/zinc/84/40/27/557844027.db2.gz OFUQJJUXUGWXGZ-UHFFFAOYSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C1[C@@H]([N@H+]2CC[C@@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366433 557872838 /nfs/dbraw/zinc/87/28/38/557872838.db2.gz NUBWWCLGPASVNM-QAPCUYQASA-N 1 1 359.426 2.449 20 5 FEBDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000374641898 557910889 /nfs/dbraw/zinc/91/08/89/557910889.db2.gz BHCZYNLHJINPJJ-FZKQIMNGSA-N 1 1 372.381 2.420 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1SC ZINC000375066555 557972991 /nfs/dbraw/zinc/97/29/91/557972991.db2.gz RWPQNRNQCBVEQR-FZMZJTMJSA-N 1 1 365.455 2.492 20 5 FEBDMO Cc1n[nH]cc1C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000375350483 558013716 /nfs/dbraw/zinc/01/37/16/558013716.db2.gz WNKLQSMDFYTDNV-UHFFFAOYSA-N 1 1 369.425 2.395 20 5 FEBDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394490 558020376 /nfs/dbraw/zinc/02/03/76/558020376.db2.gz UHPHUBDRSKPCIA-GDBMZVCRSA-N 1 1 369.425 2.406 20 5 FEBDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394490 558020377 /nfs/dbraw/zinc/02/03/77/558020377.db2.gz UHPHUBDRSKPCIA-GDBMZVCRSA-N 1 1 369.425 2.406 20 5 FEBDMO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000375520161 558042261 /nfs/dbraw/zinc/04/22/61/558042261.db2.gz SGFSSHGURKVMCG-QGZVFWFLSA-N 1 1 361.423 2.136 20 5 FEBDMO O=C1[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1c1ccccc1F ZINC000376035040 558116828 /nfs/dbraw/zinc/11/68/28/558116828.db2.gz PNICAIOSCCKQBK-INIZCTEOSA-N 1 1 373.388 2.373 20 5 FEBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000377576090 558369300 /nfs/dbraw/zinc/36/93/00/558369300.db2.gz WFPRJRYKZOOJJR-UHFFFAOYSA-N 1 1 374.485 2.156 20 5 FEBDMO CC(C)[C@]1(CO)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000377645449 558385463 /nfs/dbraw/zinc/38/54/63/558385463.db2.gz QBXVVIFBOGWJFY-QGZVFWFLSA-N 1 1 353.394 2.403 20 5 FEBDMO Cc1cnn([C@@H]2CC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000377764456 558415070 /nfs/dbraw/zinc/41/50/70/558415070.db2.gz ROKPYOBNOYNHCZ-IAGOWNOFSA-N 1 1 355.398 2.152 20 5 FEBDMO Cc1cnn([C@@H]2CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000377764456 558415071 /nfs/dbraw/zinc/41/50/71/558415071.db2.gz ROKPYOBNOYNHCZ-IAGOWNOFSA-N 1 1 355.398 2.152 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000408059543 558642250 /nfs/dbraw/zinc/64/22/50/558642250.db2.gz QKJXXEQCYMNTKH-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000408371947 558671631 /nfs/dbraw/zinc/67/16/31/558671631.db2.gz GODUSSWQSKTECD-ZBFHGGJFSA-N 1 1 367.471 2.262 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411228694 558856807 /nfs/dbraw/zinc/85/68/07/558856807.db2.gz RMNSCVIENLSVID-OKILXGFUSA-N 1 1 362.430 2.221 20 5 FEBDMO CC[C@]1(C)COCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411413774 558890535 /nfs/dbraw/zinc/89/05/35/558890535.db2.gz BDPRLVFKNNOXGO-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000411428587 558893448 /nfs/dbraw/zinc/89/34/48/558893448.db2.gz QAGJFUNJJAGMLD-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000411428587 558893449 /nfs/dbraw/zinc/89/34/49/558893449.db2.gz QAGJFUNJJAGMLD-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000411428587 558893450 /nfs/dbraw/zinc/89/34/50/558893450.db2.gz QAGJFUNJJAGMLD-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411546138 558914553 /nfs/dbraw/zinc/91/45/53/558914553.db2.gz SDHMIWVHKMEFJW-CQSZACIVSA-N 1 1 364.446 2.387 20 5 FEBDMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000411960448 558995728 /nfs/dbraw/zinc/99/57/28/558995728.db2.gz YUNNWKAKLQTJJX-IEBWSBKVSA-N 1 1 367.405 2.292 20 5 FEBDMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000411960448 558995730 /nfs/dbraw/zinc/99/57/30/558995730.db2.gz YUNNWKAKLQTJJX-IEBWSBKVSA-N 1 1 367.405 2.292 20 5 FEBDMO NC(=O)[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000411991975 559000141 /nfs/dbraw/zinc/00/01/41/559000141.db2.gz ZMYAKYJMIBYEBS-ZWKOTPCHSA-N 1 1 355.394 2.175 20 5 FEBDMO CC(C)(C)C1=CC[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000414401863 559161855 /nfs/dbraw/zinc/16/18/55/559161855.db2.gz OLAGDSOJVSGLMK-UHFFFAOYSA-N 1 1 374.441 2.328 20 5 FEBDMO COc1cc(CNCC(F)(F)C[NH3+])c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000414938555 559196039 /nfs/dbraw/zinc/19/60/39/559196039.db2.gz XPVZUDSVQBBVQS-UHFFFAOYSA-N 1 1 373.278 2.228 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416409064 559310843 /nfs/dbraw/zinc/31/08/43/559310843.db2.gz UDFMWSNIISLWMG-UHFFFAOYSA-N 1 1 366.443 2.475 20 5 FEBDMO C[N@@H+](CCCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000416503452 559318365 /nfs/dbraw/zinc/31/83/65/559318365.db2.gz VTTVIZOBNSJOOA-UHFFFAOYSA-N 1 1 361.851 2.401 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c1 ZINC000419281375 559435204 /nfs/dbraw/zinc/43/52/04/559435204.db2.gz BDPLUGSXPQPCSC-ZBFHGGJFSA-N 1 1 366.368 2.138 20 5 FEBDMO Cn1ccnc1[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000423538033 559631540 /nfs/dbraw/zinc/63/15/40/559631540.db2.gz FBKGYCAQPUILAQ-YFHUEUNASA-N 1 1 355.442 2.395 20 5 FEBDMO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000425410939 559700797 /nfs/dbraw/zinc/70/07/97/559700797.db2.gz CFOMCAYONHGWAL-HNNXBMFYSA-N 1 1 368.231 2.459 20 5 FEBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000425410939 559700798 /nfs/dbraw/zinc/70/07/98/559700798.db2.gz CFOMCAYONHGWAL-HNNXBMFYSA-N 1 1 368.231 2.459 20 5 FEBDMO CO[C@H](C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CC1 ZINC000425434706 559702194 /nfs/dbraw/zinc/70/21/94/559702194.db2.gz QQIZCSICTUHSFQ-QGZVFWFLSA-N 1 1 359.430 2.408 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466918 559703831 /nfs/dbraw/zinc/70/38/31/559703831.db2.gz CFMALGVAUZBHDG-VXGBXAGGSA-N 1 1 372.263 2.244 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000427591744 559758448 /nfs/dbraw/zinc/75/84/48/559758448.db2.gz AISRHVOACRMVSS-HIFRSBDPSA-N 1 1 357.414 2.377 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428534441 559777434 /nfs/dbraw/zinc/77/74/34/559777434.db2.gz KAOCVKVRLJJOHB-QGZVFWFLSA-N 1 1 373.384 2.482 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428548127 559777932 /nfs/dbraw/zinc/77/79/32/559777932.db2.gz NQEYFWUEIDMILP-GOSISDBHSA-N 1 1 355.394 2.343 20 5 FEBDMO COc1cc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000428550503 559778006 /nfs/dbraw/zinc/77/80/06/559778006.db2.gz VJMBLVHCHKSTQU-INIZCTEOSA-N 1 1 371.393 2.422 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000428551930 559778085 /nfs/dbraw/zinc/77/80/85/559778085.db2.gz LMATYJXBXUBAQW-OAHLLOKOSA-N 1 1 371.393 2.422 20 5 FEBDMO C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(N)=O ZINC000428838904 559784491 /nfs/dbraw/zinc/78/44/91/559784491.db2.gz IHLKMSALIMXCOD-GTNSWQLSSA-N 1 1 353.382 2.218 20 5 FEBDMO Cc1cc(OCC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000432118884 559852392 /nfs/dbraw/zinc/85/23/92/559852392.db2.gz YNQIZGPJHBGHJT-INIZCTEOSA-N 1 1 361.442 2.472 20 5 FEBDMO CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122365 559872373 /nfs/dbraw/zinc/87/23/73/559872373.db2.gz VPNHRPYMYGTYCU-KBXCAEBGSA-N 1 1 374.485 2.494 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000434365352 559898864 /nfs/dbraw/zinc/89/88/64/559898864.db2.gz UQKLMSSKONWENY-AWEZNQCLSA-N 1 1 364.446 2.408 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000434365352 559898865 /nfs/dbraw/zinc/89/88/65/559898865.db2.gz UQKLMSSKONWENY-AWEZNQCLSA-N 1 1 364.446 2.408 20 5 FEBDMO C[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000436438443 559941699 /nfs/dbraw/zinc/94/16/99/559941699.db2.gz XKVASOXYBNHGAF-OAHLLOKOSA-N 1 1 372.425 2.072 20 5 FEBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000440951812 560020011 /nfs/dbraw/zinc/02/00/11/560020011.db2.gz SQPROZVFYYFRAT-DJIMGWMZSA-N 1 1 350.415 2.366 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441211082 560026418 /nfs/dbraw/zinc/02/64/18/560026418.db2.gz PWDMJPGTNVRWJR-UONOGXRCSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441211082 560026419 /nfs/dbraw/zinc/02/64/19/560026419.db2.gz PWDMJPGTNVRWJR-UONOGXRCSA-N 1 1 363.414 2.290 20 5 FEBDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000441332823 560028911 /nfs/dbraw/zinc/02/89/11/560028911.db2.gz SBNFBWFQAKOAJR-HNNXBMFYSA-N 1 1 373.457 2.433 20 5 FEBDMO CCOc1ccccc1C[N@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000441332823 560028912 /nfs/dbraw/zinc/02/89/12/560028912.db2.gz SBNFBWFQAKOAJR-HNNXBMFYSA-N 1 1 373.457 2.433 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000443063240 560068713 /nfs/dbraw/zinc/06/87/13/560068713.db2.gz DBGKMJHICPRHDK-OCCSQVGLSA-N 1 1 352.387 2.146 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443328631 560080127 /nfs/dbraw/zinc/08/01/27/560080127.db2.gz QNCYITVQHLTZBF-HUBLWGQQSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443328631 560080128 /nfs/dbraw/zinc/08/01/28/560080128.db2.gz QNCYITVQHLTZBF-HUBLWGQQSA-N 1 1 351.403 2.023 20 5 FEBDMO NS(=O)(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000443852003 560094421 /nfs/dbraw/zinc/09/44/21/560094421.db2.gz KGZBGFJSVWRZCF-LBPRGKRZSA-N 1 1 367.452 2.186 20 5 FEBDMO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000443852003 560094422 /nfs/dbraw/zinc/09/44/22/560094422.db2.gz KGZBGFJSVWRZCF-LBPRGKRZSA-N 1 1 367.452 2.186 20 5 FEBDMO NS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000443852557 560094629 /nfs/dbraw/zinc/09/46/29/560094629.db2.gz QSFVNWXOFXYUFG-AWEZNQCLSA-N 1 1 367.452 2.186 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000446904666 560153276 /nfs/dbraw/zinc/15/32/76/560153276.db2.gz BSOHQTADJHTNRT-QWHCGFSZSA-N 1 1 374.445 2.485 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000446901096 560153335 /nfs/dbraw/zinc/15/33/35/560153335.db2.gz ACIICBGICIAUDF-QYAOZPGESA-N 1 1 356.426 2.440 20 5 FEBDMO CC(C)[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000447803946 560169462 /nfs/dbraw/zinc/16/94/62/560169462.db2.gz CKLGRBNWJLPJKQ-IBGZPJMESA-N 1 1 362.474 2.203 20 5 FEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000449083852 560215267 /nfs/dbraw/zinc/21/52/67/560215267.db2.gz VTLGUNWVUJWIAA-INIZCTEOSA-N 1 1 369.469 2.462 20 5 FEBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C[C@H](C)[N@@H+]1CCO ZINC000449544465 560233194 /nfs/dbraw/zinc/23/31/94/560233194.db2.gz QPXJUOZOPFJODN-TXEJJXNPSA-N 1 1 359.373 2.083 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449785817 560240109 /nfs/dbraw/zinc/24/01/09/560240109.db2.gz JIFOFOYMMSAFGS-ZDUSSCGKSA-N 1 1 362.455 2.217 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CN(C)c2ncc([N+](=O)[O-])c(C)n2)[C@@H]1c1cnn(C)c1 ZINC000450452878 560262594 /nfs/dbraw/zinc/26/25/94/560262594.db2.gz KVOSKSCAVZVCRB-WMLDXEAASA-N 1 1 373.461 2.336 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451341102 560301320 /nfs/dbraw/zinc/30/13/20/560301320.db2.gz KRVNRUWYDRBXKH-SCTDSRPQSA-N 1 1 373.453 2.499 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451418402 560305713 /nfs/dbraw/zinc/30/57/13/560305713.db2.gz MREYVOWRINWJGW-NUEKZKHPSA-N 1 1 363.414 2.167 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451425459 560306370 /nfs/dbraw/zinc/30/63/70/560306370.db2.gz UEQHCHLXWXRCJS-UNEWFSDZSA-N 1 1 363.414 2.167 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878521 560333926 /nfs/dbraw/zinc/33/39/26/560333926.db2.gz NERCRWUGTPCBRU-WMLDXEAASA-N 1 1 370.413 2.256 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878521 560333927 /nfs/dbraw/zinc/33/39/27/560333927.db2.gz NERCRWUGTPCBRU-WMLDXEAASA-N 1 1 370.413 2.256 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+](C2CC2)C1 ZINC000452172349 560354579 /nfs/dbraw/zinc/35/45/79/560354579.db2.gz WGDLMWIXPRXFOQ-AWEZNQCLSA-N 1 1 369.425 2.337 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452369906 560360741 /nfs/dbraw/zinc/36/07/41/560360741.db2.gz FFBXEZAODAWLEF-SJLPKXTDSA-N 1 1 363.458 2.127 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000452392769 560363004 /nfs/dbraw/zinc/36/30/04/560363004.db2.gz RQGKFOMTOYDKOY-AWEZNQCLSA-N 1 1 363.439 2.386 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000455395666 560480635 /nfs/dbraw/zinc/48/06/35/560480635.db2.gz BRSUHZSMTGIIML-SECBINFHSA-N 1 1 357.208 2.431 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C[C@@H]21 ZINC000456157082 560509054 /nfs/dbraw/zinc/50/90/54/560509054.db2.gz CNCXLVCGVIUWSL-ZBFHGGJFSA-N 1 1 352.394 2.433 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000456358680 560517188 /nfs/dbraw/zinc/51/71/88/560517188.db2.gz UAYVZKCHIADXLO-CQSZACIVSA-N 1 1 372.429 2.040 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000456358680 560517189 /nfs/dbraw/zinc/51/71/89/560517189.db2.gz UAYVZKCHIADXLO-CQSZACIVSA-N 1 1 372.429 2.040 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000457897693 560592949 /nfs/dbraw/zinc/59/29/49/560592949.db2.gz HMZHDJCRGUXZNC-CQSZACIVSA-N 1 1 350.419 2.229 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000458511513 560628862 /nfs/dbraw/zinc/62/88/62/560628862.db2.gz PQGZBHNMSGBRAR-HOCLYGCPSA-N 1 1 364.446 2.110 20 5 FEBDMO O=C(CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)Nc1ccc(F)cc1 ZINC000459519153 560691602 /nfs/dbraw/zinc/69/16/02/560691602.db2.gz XBPNMMPYQJGOQT-UHFFFAOYSA-N 1 1 373.388 2.280 20 5 FEBDMO CN(C)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc[nH+]1 ZINC000464420531 560841302 /nfs/dbraw/zinc/84/13/02/560841302.db2.gz HXGXHSYHFIKWRL-UHFFFAOYSA-N 1 1 373.394 2.405 20 5 FEBDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464787936 560851011 /nfs/dbraw/zinc/85/10/11/560851011.db2.gz GCSCAYHCKGCZNR-ROUUACIJSA-N 1 1 364.421 2.490 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984010 560877601 /nfs/dbraw/zinc/87/76/01/560877601.db2.gz RVISQRFZJPNVPE-LSDHHAIUSA-N 1 1 363.462 2.487 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000468463283 560930574 /nfs/dbraw/zinc/93/05/74/560930574.db2.gz ZPBGADGQBSZKMK-MRXNPFEDSA-N 1 1 365.430 2.462 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470140724 560975153 /nfs/dbraw/zinc/97/51/53/560975153.db2.gz LJFXCACEGUTAEU-GFCCVEGCSA-N 1 1 366.393 2.451 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000470690092 560987590 /nfs/dbraw/zinc/98/75/90/560987590.db2.gz PLVOEOLYZXBBPU-HNNXBMFYSA-N 1 1 363.414 2.374 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000473285928 561046542 /nfs/dbraw/zinc/04/65/42/561046542.db2.gz ZOJAJAIQHOPHIC-HNNXBMFYSA-N 1 1 374.441 2.032 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000473956481 561062174 /nfs/dbraw/zinc/06/21/74/561062174.db2.gz MLNHZNYVGSXLFU-QWRGUYRKSA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000473956481 561062175 /nfs/dbraw/zinc/06/21/75/561062175.db2.gz MLNHZNYVGSXLFU-QWRGUYRKSA-N 1 1 361.489 2.363 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1[N+](=O)[O-] ZINC000474021203 561063711 /nfs/dbraw/zinc/06/37/11/561063711.db2.gz ZKMUTSAPIDTJBN-UHFFFAOYSA-N 1 1 370.365 2.084 20 5 FEBDMO CCOC(=O)c1coc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000474271511 561069949 /nfs/dbraw/zinc/06/99/49/561069949.db2.gz ALAIVGQRQLFIMM-CYBMUJFWSA-N 1 1 360.370 2.446 20 5 FEBDMO CCOC(=O)c1coc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000474271511 561069950 /nfs/dbraw/zinc/06/99/50/561069950.db2.gz ALAIVGQRQLFIMM-CYBMUJFWSA-N 1 1 360.370 2.446 20 5 FEBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000474669911 561080092 /nfs/dbraw/zinc/08/00/92/561080092.db2.gz RDEKAZNLEYLALQ-UHFFFAOYSA-N 1 1 352.822 2.352 20 5 FEBDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000475874498 561106984 /nfs/dbraw/zinc/10/69/84/561106984.db2.gz DKRSFJIBAUVPAS-AWEZNQCLSA-N 1 1 359.430 2.216 20 5 FEBDMO C[C@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])nn2C)C[N@H+]1Cc1ccccc1 ZINC000476648707 561125241 /nfs/dbraw/zinc/12/52/41/561125241.db2.gz OMWMJGNOEXYKNK-GOEBONIOSA-N 1 1 371.441 2.359 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3cc([N+](=O)[O-])nn3C)cc2)C1 ZINC000477032737 561134676 /nfs/dbraw/zinc/13/46/76/561134676.db2.gz RZCHRRIIPCLSAL-CYBMUJFWSA-N 1 1 373.413 2.301 20 5 FEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532430640 562477809 /nfs/dbraw/zinc/47/78/09/562477809.db2.gz CWNUCMFAQSQEDC-DLBZAZTESA-N 1 1 362.430 2.037 20 5 FEBDMO CCn1cc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000532553479 562481181 /nfs/dbraw/zinc/48/11/81/562481181.db2.gz DDMBZNXPFGVURI-UHFFFAOYSA-N 1 1 361.402 2.280 20 5 FEBDMO CCOc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000532581365 562482012 /nfs/dbraw/zinc/48/20/12/562482012.db2.gz WJMLSJAGKYKSCT-AWEZNQCLSA-N 1 1 362.430 2.101 20 5 FEBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCN(C2CC2)C1 ZINC000533440830 562508848 /nfs/dbraw/zinc/50/88/48/562508848.db2.gz JQLQCTJEPXBMON-OAHLLOKOSA-N 1 1 360.414 2.061 20 5 FEBDMO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000533440830 562508849 /nfs/dbraw/zinc/50/88/49/562508849.db2.gz JQLQCTJEPXBMON-OAHLLOKOSA-N 1 1 360.414 2.061 20 5 FEBDMO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000533440830 562508850 /nfs/dbraw/zinc/50/88/50/562508850.db2.gz JQLQCTJEPXBMON-OAHLLOKOSA-N 1 1 360.414 2.061 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000535313765 562555622 /nfs/dbraw/zinc/55/56/22/562555622.db2.gz MUKZPEPISYNXER-CQSZACIVSA-N 1 1 357.414 2.455 20 5 FEBDMO COc1ccc(CC(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901245 562596178 /nfs/dbraw/zinc/59/61/78/562596178.db2.gz XJZYKCOOWPONSJ-SJORKVTESA-N 1 1 369.421 2.360 20 5 FEBDMO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570048365 568443351 /nfs/dbraw/zinc/44/33/51/568443351.db2.gz RPXFVUNTDGGPEP-CYBMUJFWSA-N 1 1 355.398 2.200 20 5 FEBDMO COc1ccc(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)cc1[N+](=O)[O-] ZINC000821813516 599455995 /nfs/dbraw/zinc/45/59/95/599455995.db2.gz IDPDMBSYPAOAOF-UHFFFAOYSA-N 1 1 358.333 2.212 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NCC[NH+]2CCCC2)c(Cl)cc1Cl ZINC000809806230 674510914 /nfs/dbraw/zinc/51/09/14/674510914.db2.gz HDEVXAACXRYQMP-UHFFFAOYSA-N 1 1 368.242 2.276 20 5 FEBDMO COC(=O)c1cc(C)nc(NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000561107346 674637729 /nfs/dbraw/zinc/63/77/29/674637729.db2.gz ZZZFSKDRWNHRDD-CYBMUJFWSA-N 1 1 350.419 2.761 20 5 FEBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[C@H](C)C1 ZINC000563427594 674886244 /nfs/dbraw/zinc/88/62/44/674886244.db2.gz ZYUNDWBTWZXDDA-CYBMUJFWSA-N 1 1 352.410 2.101 20 5 FEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000815018452 674897844 /nfs/dbraw/zinc/89/78/44/674897844.db2.gz QBSFRIFGFXYWGN-IUCAKERBSA-N 1 1 365.814 2.148 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000817149398 675105486 /nfs/dbraw/zinc/10/54/86/675105486.db2.gz FARHIGUGZGGLCQ-LLVKDONJSA-N 1 1 361.851 2.271 20 5 FEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000068084504 670465748 /nfs/dbraw/zinc/46/57/48/670465748.db2.gz JUVGYWYLSCHONK-NEPJUHHUSA-N 1 1 350.375 2.353 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000565402027 675118239 /nfs/dbraw/zinc/11/82/39/675118239.db2.gz FOOHODJSPUDOEG-UHFFFAOYSA-N 1 1 369.849 2.360 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000565402027 675118243 /nfs/dbraw/zinc/11/82/43/675118243.db2.gz FOOHODJSPUDOEG-UHFFFAOYSA-N 1 1 369.849 2.360 20 5 FEBDMO C[C@H]1CN=C(N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000079497272 670606318 /nfs/dbraw/zinc/60/63/18/670606318.db2.gz DCEJKMSSOISAAT-AWEZNQCLSA-N 1 1 364.471 2.473 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl)C1CC1 ZINC000083989813 670663476 /nfs/dbraw/zinc/66/34/76/670663476.db2.gz JMOAQSRYAYTDMT-UHFFFAOYSA-N 1 1 361.851 2.319 20 5 FEBDMO C[C@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000565594311 675134969 /nfs/dbraw/zinc/13/49/69/675134969.db2.gz UFRYLSHVHGMFSE-CVEARBPZSA-N 1 1 351.447 2.046 20 5 FEBDMO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457782 671370236 /nfs/dbraw/zinc/37/02/36/671370236.db2.gz RNUJHHIMANIWSI-DOTOQJQBSA-N 1 1 351.447 2.045 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457782 671370239 /nfs/dbraw/zinc/37/02/39/671370239.db2.gz RNUJHHIMANIWSI-DOTOQJQBSA-N 1 1 351.447 2.045 20 5 FEBDMO Cc1nn(CCC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000608813038 675904628 /nfs/dbraw/zinc/90/46/28/675904628.db2.gz SCIXZCNVZAFMEN-UHFFFAOYSA-N 1 1 351.451 2.131 20 5 FEBDMO Cc1c(Br)c(N2CCN(c3[nH]cc[nH+]3)CC2)ncc1[N+](=O)[O-] ZINC000576900301 671403036 /nfs/dbraw/zinc/40/30/36/671403036.db2.gz CKDJUEFYDUDRAS-UHFFFAOYSA-N 1 1 367.207 2.110 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000609269207 675916264 /nfs/dbraw/zinc/91/62/64/675916264.db2.gz NEOWCCVTQVMLSD-GFCCVEGCSA-N 1 1 353.444 2.157 20 5 FEBDMO [NH3+]CC(F)(F)CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000578449964 671666284 /nfs/dbraw/zinc/66/62/84/671666284.db2.gz MPSCYNQGJZUPCG-UHFFFAOYSA-N 1 1 370.278 2.126 20 5 FEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000578639483 671679430 /nfs/dbraw/zinc/67/94/30/671679430.db2.gz WJFHYBKHSDCUMD-SNVBAGLBSA-N 1 1 364.146 2.036 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCOC1 ZINC000609631667 675930149 /nfs/dbraw/zinc/93/01/49/675930149.db2.gz KZWNMTIBJBOISB-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO C[C@@H]1C[N@H+](CC2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)C[C@H](C)O1 ZINC000580047714 671778854 /nfs/dbraw/zinc/77/88/54/671778854.db2.gz OFZCTMRIPPYYPY-BETUJISGSA-N 1 1 352.410 2.455 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000580980948 671852518 /nfs/dbraw/zinc/85/25/18/671852518.db2.gz JLHZRFZKMIVMJO-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000119618378 671903335 /nfs/dbraw/zinc/90/33/35/671903335.db2.gz IIDLTXITJQLACQ-CYBMUJFWSA-N 1 1 373.431 2.377 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000120062888 671915664 /nfs/dbraw/zinc/91/56/64/671915664.db2.gz QGRIMRYTFAQVBW-LBPRGKRZSA-N 1 1 361.489 2.303 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610135194 675956248 /nfs/dbraw/zinc/95/62/48/675956248.db2.gz MEDREMDZTAJSRN-VXGBXAGGSA-N 1 1 359.423 2.227 20 5 FEBDMO CC[N@@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205226 676024985 /nfs/dbraw/zinc/02/49/85/676024985.db2.gz OPSSESXCCBBKRK-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO CSc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590398988 672578241 /nfs/dbraw/zinc/57/82/41/672578241.db2.gz BEISQTHAVKJSAJ-DZGCQCFKSA-N 1 1 365.455 2.252 20 5 FEBDMO COC(=O)c1c(Cl)c(NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000590584261 672591734 /nfs/dbraw/zinc/59/17/34/672591734.db2.gz QONDKGCMHAMSBV-UHFFFAOYSA-N 1 1 357.794 2.169 20 5 FEBDMO COC(=O)c1c(Cl)c(NCC[N@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000590584261 672591737 /nfs/dbraw/zinc/59/17/37/672591737.db2.gz QONDKGCMHAMSBV-UHFFFAOYSA-N 1 1 357.794 2.169 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591125 672593777 /nfs/dbraw/zinc/59/37/77/672593777.db2.gz JTSCTMHLRQUKQF-DGCLKSJQSA-N 1 1 373.450 2.441 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1SC ZINC000590776516 672616796 /nfs/dbraw/zinc/61/67/96/672616796.db2.gz IFRGBYNRLUIPEC-GXFFZTMASA-N 1 1 351.428 2.101 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000194214310 672752562 /nfs/dbraw/zinc/75/25/62/672752562.db2.gz IWQWNUHPQAYRDA-ZDUSSCGKSA-N 1 1 370.475 2.166 20 5 FEBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000592185210 672768562 /nfs/dbraw/zinc/76/85/62/672768562.db2.gz NJZDYNUTPCOOHE-AWEZNQCLSA-N 1 1 361.320 2.104 20 5 FEBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000592185210 672768563 /nfs/dbraw/zinc/76/85/63/672768563.db2.gz NJZDYNUTPCOOHE-AWEZNQCLSA-N 1 1 361.320 2.104 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592386905 672796499 /nfs/dbraw/zinc/79/64/99/672796499.db2.gz ZTMCFUHJPIEUMC-VIFPVBQESA-N 1 1 368.242 2.322 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@@H](C)C(=O)OC)C2CC2)c1 ZINC000593008181 672863355 /nfs/dbraw/zinc/86/33/55/672863355.db2.gz QIHSVNONUJAKSE-LLVKDONJSA-N 1 1 350.371 2.155 20 5 FEBDMO C[C@@H](CCO)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000593107725 672877743 /nfs/dbraw/zinc/87/77/43/672877743.db2.gz HKONMSIRSIDIHB-VIFPVBQESA-N 1 1 364.183 2.402 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000593591630 672952916 /nfs/dbraw/zinc/95/29/16/672952916.db2.gz YRAFAFZICUFXTG-CQSZACIVSA-N 1 1 368.459 2.065 20 5 FEBDMO Cc1noc(C)c1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612461495 676083294 /nfs/dbraw/zinc/08/32/94/676083294.db2.gz HAMWOVHFBDAIIG-JTQLQIEISA-N 1 1 353.400 2.324 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000593877163 673002738 /nfs/dbraw/zinc/00/27/38/673002738.db2.gz YYMNIPHHUIXWSA-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000593877163 673002744 /nfs/dbraw/zinc/00/27/44/673002744.db2.gz YYMNIPHHUIXWSA-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000594017109 673021356 /nfs/dbraw/zinc/02/13/56/673021356.db2.gz QVXMLJOGNBUNNS-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000594017109 673021362 /nfs/dbraw/zinc/02/13/62/673021362.db2.gz QVXMLJOGNBUNNS-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027231 673022121 /nfs/dbraw/zinc/02/21/21/673022121.db2.gz SSUYFQGKWYNEJL-HOCLYGCPSA-N 1 1 350.415 2.368 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000725892798 673095691 /nfs/dbraw/zinc/09/56/91/673095691.db2.gz MSMJPXNXYDLXKW-GFCCVEGCSA-N 1 1 350.375 2.273 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594714664 673121968 /nfs/dbraw/zinc/12/19/68/673121968.db2.gz SCPIGPUPNUDUNV-INIZCTEOSA-N 1 1 351.447 2.139 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594759164 673132315 /nfs/dbraw/zinc/13/23/15/673132315.db2.gz IPMCAVKRSVHFIG-GFCCVEGCSA-N 1 1 366.443 2.152 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594789761 673142938 /nfs/dbraw/zinc/14/29/38/673142938.db2.gz KNEWJIDLULUXPW-ZDUSSCGKSA-N 1 1 355.460 2.302 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000729630230 673241730 /nfs/dbraw/zinc/24/17/30/673241730.db2.gz VQCMLHCMSNHDFC-UHFFFAOYSA-N 1 1 369.853 2.397 20 5 FEBDMO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)co1 ZINC000595525220 673261291 /nfs/dbraw/zinc/26/12/91/673261291.db2.gz PVSPHUGUDJUNLA-CQSZACIVSA-N 1 1 365.411 2.215 20 5 FEBDMO NS(=O)(=O)c1cc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)co1 ZINC000595525220 673261298 /nfs/dbraw/zinc/26/12/98/673261298.db2.gz PVSPHUGUDJUNLA-CQSZACIVSA-N 1 1 365.411 2.215 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCSCC1 ZINC000462997552 673292575 /nfs/dbraw/zinc/29/25/75/673292575.db2.gz QSRFZIHEHLSMTM-OAHLLOKOSA-N 1 1 351.472 2.329 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596305906 673375855 /nfs/dbraw/zinc/37/58/55/673375855.db2.gz CQCVNCTVYFPZND-LBPRGKRZSA-N 1 1 370.475 2.130 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(C(F)(F)F)c1 ZINC000596539879 673392441 /nfs/dbraw/zinc/39/24/41/673392441.db2.gz RGLLREMUIZJVDN-LBPRGKRZSA-N 1 1 360.336 2.044 20 5 FEBDMO O=C1CC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]2N1 ZINC000597204369 673456568 /nfs/dbraw/zinc/45/65/68/673456568.db2.gz ASVCQRGVODJTGU-GWCFXTLKSA-N 1 1 355.341 2.297 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]2N1 ZINC000597204369 673456573 /nfs/dbraw/zinc/45/65/73/673456573.db2.gz ASVCQRGVODJTGU-GWCFXTLKSA-N 1 1 355.341 2.297 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597858166 673513407 /nfs/dbraw/zinc/51/34/07/673513407.db2.gz LFTNNDUMWJZGRK-CYBMUJFWSA-N 1 1 367.471 2.282 20 5 FEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000540021651 673519262 /nfs/dbraw/zinc/51/92/62/673519262.db2.gz VGPOVCREMNAHTG-GHMZBOCLSA-N 1 1 370.247 2.451 20 5 FEBDMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1ccc([N+](=O)[O-])s1 ZINC000598367046 673562845 /nfs/dbraw/zinc/56/28/45/673562845.db2.gz IDNDKSNFVMWYEX-CHWSQXEVSA-N 1 1 351.428 2.030 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000598985336 673626493 /nfs/dbraw/zinc/62/64/93/673626493.db2.gz OESKHCZIWYJCPI-AWEZNQCLSA-N 1 1 350.419 2.005 20 5 FEBDMO COc1cc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000598989920 673626793 /nfs/dbraw/zinc/62/67/93/673626793.db2.gz VYVVRVRKWDRCAV-ZDUSSCGKSA-N 1 1 360.292 2.399 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000543172890 673629656 /nfs/dbraw/zinc/62/96/56/673629656.db2.gz VDQHDHUHIYJLQH-HMDURAKOSA-N 1 1 353.806 2.278 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000543172890 673629660 /nfs/dbraw/zinc/62/96/60/673629660.db2.gz VDQHDHUHIYJLQH-HMDURAKOSA-N 1 1 353.806 2.278 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000740840724 673656760 /nfs/dbraw/zinc/65/67/60/673656760.db2.gz CTLYEWVKKAJVNG-STQMWFEESA-N 1 1 353.394 2.444 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000599389783 673668035 /nfs/dbraw/zinc/66/80/35/673668035.db2.gz AJVONFDCHGDUFX-HNNXBMFYSA-N 1 1 353.444 2.280 20 5 FEBDMO COc1ccc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000599543280 673689817 /nfs/dbraw/zinc/68/98/17/673689817.db2.gz OVGQYWXZWAKOLC-OAHLLOKOSA-N 1 1 350.415 2.357 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000600065991 673738251 /nfs/dbraw/zinc/73/82/51/673738251.db2.gz FBJABIZKVAEXJU-UHFFFAOYSA-N 1 1 365.455 2.300 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000600068686 673738468 /nfs/dbraw/zinc/73/84/68/673738468.db2.gz IJPFXPKIYINLCT-OPFPJEHXSA-N 1 1 365.455 2.055 20 5 FEBDMO CC1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC000545174367 673749158 /nfs/dbraw/zinc/74/91/58/673749158.db2.gz FWGHSEFICYQSJN-UHFFFAOYSA-N 1 1 365.455 2.061 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000546776434 673817638 /nfs/dbraw/zinc/81/76/38/673817638.db2.gz FNKUMNSTYORHAG-HIFRSBDPSA-N 1 1 355.460 2.229 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000746380592 673875149 /nfs/dbraw/zinc/87/51/49/673875149.db2.gz BMDIWNXKIULMON-LBPRGKRZSA-N 1 1 372.267 2.175 20 5 FEBDMO O=C(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCC(F)(F)F ZINC000602535303 673907288 /nfs/dbraw/zinc/90/72/88/673907288.db2.gz VPVKOZIUYPCTQR-UHFFFAOYSA-N 1 1 359.226 2.382 20 5 FEBDMO CN(C)CC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000567710357 675315247 /nfs/dbraw/zinc/31/52/47/675315247.db2.gz JQOPFDKNKAOVLM-OAHLLOKOSA-N 1 1 351.447 2.046 20 5 FEBDMO C[NH+](C)CC1(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000567710357 675315249 /nfs/dbraw/zinc/31/52/49/675315249.db2.gz JQOPFDKNKAOVLM-OAHLLOKOSA-N 1 1 351.447 2.046 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827266958 675743920 /nfs/dbraw/zinc/74/39/20/675743920.db2.gz MBHOHCNJMGBWOM-IINYFYTJSA-N 1 1 355.797 2.482 20 5 FEBDMO C[NH+]1CCN(C2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000827474202 675758932 /nfs/dbraw/zinc/75/89/32/675758932.db2.gz TVMNUNFWDUMZSH-UHFFFAOYSA-N 1 1 366.849 2.100 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619483810 676379984 /nfs/dbraw/zinc/37/99/84/676379984.db2.gz QTXLNBSPAKGGDT-ZDUSSCGKSA-N 1 1 371.459 2.146 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760542143 680692008 /nfs/dbraw/zinc/69/20/08/680692008.db2.gz ZYSXBYRTNIAXGE-UHFFFAOYSA-N 1 1 353.329 2.256 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000838910436 680727161 /nfs/dbraw/zinc/72/71/61/680727161.db2.gz WSUSAAWITCGPHR-TXEJJXNPSA-N 1 1 352.412 2.337 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@@H+]1CCOC ZINC000831508524 679995589 /nfs/dbraw/zinc/99/55/89/679995589.db2.gz PJIOOYCXYJYSRV-AWEZNQCLSA-N 1 1 353.394 2.307 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC[N@H+]1CCOC ZINC000831508524 679995595 /nfs/dbraw/zinc/99/55/95/679995595.db2.gz PJIOOYCXYJYSRV-AWEZNQCLSA-N 1 1 353.394 2.307 20 5 FEBDMO COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539797 680000690 /nfs/dbraw/zinc/00/06/90/680000690.db2.gz XMPJEAMQCURGOE-MRXNPFEDSA-N 1 1 370.471 2.226 20 5 FEBDMO COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539797 680000695 /nfs/dbraw/zinc/00/06/95/680000695.db2.gz XMPJEAMQCURGOE-MRXNPFEDSA-N 1 1 370.471 2.226 20 5 FEBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063480 680193329 /nfs/dbraw/zinc/19/33/29/680193329.db2.gz BXKHKXJWEYCJRP-GFQSEFKGSA-N 1 1 358.225 2.395 20 5 FEBDMO CNC(=O)CCOC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000752093297 680223778 /nfs/dbraw/zinc/22/37/78/680223778.db2.gz IBOBUGOUZQVCOF-UHFFFAOYSA-N 1 1 355.822 2.365 20 5 FEBDMO COc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428843 680332176 /nfs/dbraw/zinc/33/21/76/680332176.db2.gz ITRZPQVQZAUIDB-IUODEOHRSA-N 1 1 367.833 2.094 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836368217 680458821 /nfs/dbraw/zinc/45/88/21/680458821.db2.gz MNZNUTCKJNGBGN-GFCCVEGCSA-N 1 1 356.810 2.217 20 5 FEBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCCc2ccsc2)CC1 ZINC001005383148 680573738 /nfs/dbraw/zinc/57/37/38/680573738.db2.gz UNKNNWVCSNORTK-HZPDHXFCSA-N 1 1 351.472 2.269 20 5 FEBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841523799 680891529 /nfs/dbraw/zinc/89/15/29/680891529.db2.gz GIIGLPZUYGKACQ-QMMMGPOBSA-N 1 1 368.242 2.132 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)C(C)(C)C1 ZINC000844949667 681094697 /nfs/dbraw/zinc/09/46/97/681094697.db2.gz STXDSFKZSLGEBY-UHFFFAOYSA-N 1 1 353.394 2.225 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)C(C)(C)C1 ZINC000844949667 681094700 /nfs/dbraw/zinc/09/47/00/681094700.db2.gz STXDSFKZSLGEBY-UHFFFAOYSA-N 1 1 353.394 2.225 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000846973578 681314924 /nfs/dbraw/zinc/31/49/24/681314924.db2.gz QBCJBMWPAHOKLW-ZDUSSCGKSA-N 1 1 350.375 2.368 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583260 681410653 /nfs/dbraw/zinc/41/06/53/681410653.db2.gz ZJYUNZUHAOIHBW-UKRRQHHQSA-N 1 1 351.403 2.227 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583260 681410656 /nfs/dbraw/zinc/41/06/56/681410656.db2.gz ZJYUNZUHAOIHBW-UKRRQHHQSA-N 1 1 351.403 2.227 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000848034927 681465711 /nfs/dbraw/zinc/46/57/11/681465711.db2.gz GFNCNYINQXCSDX-UHFFFAOYSA-N 1 1 368.821 2.373 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000848034927 681465715 /nfs/dbraw/zinc/46/57/15/681465715.db2.gz GFNCNYINQXCSDX-UHFFFAOYSA-N 1 1 368.821 2.373 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334836 681554007 /nfs/dbraw/zinc/55/40/07/681554007.db2.gz XLAAOOFNVGWABG-ZIAGYGMSSA-N 1 1 363.439 2.356 20 5 FEBDMO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000848474808 681557824 /nfs/dbraw/zinc/55/78/24/681557824.db2.gz IOHSTULCWHCRMA-DTORHVGOSA-N 1 1 365.814 2.006 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000935664810 681796912 /nfs/dbraw/zinc/79/69/12/681796912.db2.gz PHNFQDJGYOGURF-UHFFFAOYSA-N 1 1 363.805 2.253 20 5 FEBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000935690897 681802339 /nfs/dbraw/zinc/80/23/39/681802339.db2.gz XZKLXCCARVYLIO-GOEBONIOSA-N 1 1 353.369 2.311 20 5 FEBDMO CC1([NH2+]Cc2ccc(Cl)cc2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107625 682030102 /nfs/dbraw/zinc/03/01/02/682030102.db2.gz LFBJPMATJUWFAA-HUUCEWRRSA-N 1 1 351.834 2.476 20 5 FEBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000851820647 682147399 /nfs/dbraw/zinc/14/73/99/682147399.db2.gz DRLLHQGCNYTPIE-LLVKDONJSA-N 1 1 361.851 2.319 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000784965726 682263922 /nfs/dbraw/zinc/26/39/22/682263922.db2.gz MMNVPMMGACFUBL-QWRGUYRKSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000784965726 682263926 /nfs/dbraw/zinc/26/39/26/682263926.db2.gz MMNVPMMGACFUBL-QWRGUYRKSA-N 1 1 368.821 2.128 20 5 FEBDMO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000787325515 682450852 /nfs/dbraw/zinc/45/08/52/682450852.db2.gz GEPSXOOOHIEQIH-ONGXEEELSA-N 1 1 355.778 2.070 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000787325515 682450856 /nfs/dbraw/zinc/45/08/56/682450856.db2.gz GEPSXOOOHIEQIH-ONGXEEELSA-N 1 1 355.778 2.070 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000854643863 682574352 /nfs/dbraw/zinc/57/43/52/682574352.db2.gz ZJDMWAVLHSNAOO-HOCLYGCPSA-N 1 1 367.833 2.492 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790661117 682692864 /nfs/dbraw/zinc/69/28/64/682692864.db2.gz BEDVJHMPEWSSQI-LBPRGKRZSA-N 1 1 373.812 2.157 20 5 FEBDMO COC(=O)[C@]12C[N@@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000793346133 682883677 /nfs/dbraw/zinc/88/36/77/682883677.db2.gz CNWUVLXQUZKJOH-BLLLJJGKSA-N 1 1 354.790 2.260 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000796205317 683140494 /nfs/dbraw/zinc/14/04/94/683140494.db2.gz XXZCQKXOOJZSOQ-LBPRGKRZSA-N 1 1 361.851 2.401 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798294665 683332230 /nfs/dbraw/zinc/33/22/30/683332230.db2.gz HPJXXODAFPHDBJ-JOYOIKCWSA-N 1 1 371.235 2.165 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000929832717 683644611 /nfs/dbraw/zinc/64/46/11/683644611.db2.gz DZBSSPGTYLUKGR-SKDRFNHKSA-N 1 1 356.329 2.364 20 5 FEBDMO C[N@@H+](CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000865003986 683921459 /nfs/dbraw/zinc/92/14/59/683921459.db2.gz SFDDAZWMHPEHDH-UHFFFAOYSA-N 1 1 356.220 2.110 20 5 FEBDMO Cc1c(Br)c(N[C@H]2CC[N@H+](CC(C)(C)O)C2)ncc1[N+](=O)[O-] ZINC000865998377 684058797 /nfs/dbraw/zinc/05/87/97/684058797.db2.gz FFXZOCPRLPWXES-JTQLQIEISA-N 1 1 373.251 2.318 20 5 FEBDMO Cc1c(Br)c(N[C@H]2CC[N@@H+](CC(C)(C)O)C2)ncc1[N+](=O)[O-] ZINC000865998377 684058802 /nfs/dbraw/zinc/05/88/02/684058802.db2.gz FFXZOCPRLPWXES-JTQLQIEISA-N 1 1 373.251 2.318 20 5 FEBDMO CCN1CCN([C@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866233136 684084979 /nfs/dbraw/zinc/08/49/79/684084979.db2.gz RPKDUBIQSZRFIT-HUUCEWRRSA-N 1 1 352.454 2.281 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000931296454 684257333 /nfs/dbraw/zinc/25/73/33/684257333.db2.gz HKBYZIUUCOXRGV-STQMWFEESA-N 1 1 368.821 2.311 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000867426860 684276858 /nfs/dbraw/zinc/27/68/58/684276858.db2.gz YILKUFUPPXFDPH-AWEZNQCLSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867812317 684397044 /nfs/dbraw/zinc/39/70/44/684397044.db2.gz JORMSFLECSCYMW-YPMHNXCESA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867813573 684397528 /nfs/dbraw/zinc/39/75/28/684397528.db2.gz XYJVRVAEFGTUPX-AAEUAGOBSA-N 1 1 373.862 2.271 20 5 FEBDMO C[C@]([NH3+])(C(=O)N1CCO[C@@H](c2ccsc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870906462 684768960 /nfs/dbraw/zinc/76/89/60/684768960.db2.gz OHBSVPVMTNHHTI-NVXWUHKLSA-N 1 1 361.423 2.430 20 5 FEBDMO C[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872071478 684918311 /nfs/dbraw/zinc/91/83/11/684918311.db2.gz PWOXOEYLXMDKAP-RYUDHWBXSA-N 1 1 359.423 2.199 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872661844 684999251 /nfs/dbraw/zinc/99/92/51/684999251.db2.gz DEKDQFXSGYSFBU-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1C ZINC000872663590 685000140 /nfs/dbraw/zinc/00/01/40/685000140.db2.gz KMAWBIAEOWSSOZ-LSDHHAIUSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1C ZINC000872663590 685000143 /nfs/dbraw/zinc/00/01/43/685000143.db2.gz KMAWBIAEOWSSOZ-LSDHHAIUSA-N 1 1 353.444 2.069 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880135183 687004154 /nfs/dbraw/zinc/00/41/54/687004154.db2.gz RITXYLZJGCISHP-CABCVRRESA-N 1 1 352.822 2.355 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000880494386 687054146 /nfs/dbraw/zinc/05/41/46/687054146.db2.gz ASBLAFZJYMVJSN-CABCVRRESA-N 1 1 367.833 2.477 20 5 FEBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886578486 688279516 /nfs/dbraw/zinc/27/95/16/688279516.db2.gz YUTLVPCPLZKLII-JOXOIDLHSA-N 1 1 353.806 2.278 20 5 FEBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886578486 688279521 /nfs/dbraw/zinc/27/95/21/688279521.db2.gz YUTLVPCPLZKLII-JOXOIDLHSA-N 1 1 353.806 2.278 20 5 FEBDMO Cc1csc(C[C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)n1 ZINC000886691612 688289803 /nfs/dbraw/zinc/28/98/03/688289803.db2.gz IOTPOAXJWYAWMT-CQSZACIVSA-N 1 1 362.455 2.476 20 5 FEBDMO O=[N+]([O-])c1c(N2CC[NH+](CCc3ccncc3)CC2)nc2sccn21 ZINC000894840487 689606585 /nfs/dbraw/zinc/60/65/85/689606585.db2.gz QNQAEHJHHIHJRN-UHFFFAOYSA-N 1 1 358.427 2.064 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000900846341 690573329 /nfs/dbraw/zinc/57/33/29/690573329.db2.gz ZWCZTJIPUXJJLJ-NSHDSACASA-N 1 1 371.796 2.182 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1F ZINC000906200420 691241158 /nfs/dbraw/zinc/24/11/58/691241158.db2.gz GGSAEUMNJADQME-KGLIPLIRSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1F ZINC000906200420 691241160 /nfs/dbraw/zinc/24/11/60/691241160.db2.gz GGSAEUMNJADQME-KGLIPLIRSA-N 1 1 353.419 2.352 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C2)C1 ZINC000908421118 691676847 /nfs/dbraw/zinc/67/68/47/691676847.db2.gz AQVJOZJSGMLAMH-INIZCTEOSA-N 1 1 352.822 2.388 20 5 FEBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164626978 719054202 /nfs/dbraw/zinc/05/42/02/719054202.db2.gz SSRHCYMPRRFRHS-SJLPKXTDSA-N 1 1 354.410 2.329 20 5 FEBDMO Cc1ncc([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164862990 720952982 /nfs/dbraw/zinc/95/29/82/720952982.db2.gz XOHRKQHIDZWXRU-GFCCVEGCSA-N 1 1 359.434 2.311 20 5 FEBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485393937 852139448 /nfs/dbraw/zinc/13/94/48/852139448.db2.gz DSQKNIWCPHDOOW-HNNXBMFYSA-N 1 1 359.405 2.454 20 5 FEBDMO CN1CC[N@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485393937 852139461 /nfs/dbraw/zinc/13/94/61/852139461.db2.gz DSQKNIWCPHDOOW-HNNXBMFYSA-N 1 1 359.405 2.454 20 5 FEBDMO CN1CC[N@@H+](C)[C@@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485393937 852139469 /nfs/dbraw/zinc/13/94/69/852139469.db2.gz DSQKNIWCPHDOOW-HNNXBMFYSA-N 1 1 359.405 2.454 20 5 FEBDMO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000012810111 539575461 /nfs/dbraw/zinc/57/54/61/539575461.db2.gz BODUVFTVBSPLKP-KRWDZBQOSA-N 1 1 371.437 2.465 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000028013604 539823667 /nfs/dbraw/zinc/82/36/67/539823667.db2.gz NRVKAYDBKVFDJY-ZDUSSCGKSA-N 1 1 355.822 2.335 20 5 FEBDMO CN(C(=O)CN1CC[NH+](Cc2cccs2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000029066709 539841573 /nfs/dbraw/zinc/84/15/73/539841573.db2.gz NHJMORYFDREGSY-UHFFFAOYSA-N 1 1 374.466 2.437 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000032297130 539933263 /nfs/dbraw/zinc/93/32/63/539933263.db2.gz IBZQZLBDIFZJOE-TXEJJXNPSA-N 1 1 355.822 2.477 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000048358733 540359088 /nfs/dbraw/zinc/35/90/88/540359088.db2.gz OQZVHZHOAPNTLQ-OKILXGFUSA-N 1 1 372.425 2.462 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@H](C)O1 ZINC000048358733 540359092 /nfs/dbraw/zinc/35/90/92/540359092.db2.gz OQZVHZHOAPNTLQ-OKILXGFUSA-N 1 1 372.425 2.462 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000049131549 540382007 /nfs/dbraw/zinc/38/20/07/540382007.db2.gz ARGMUGVKVNFEDQ-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO CC(=O)NC1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000050992069 540418648 /nfs/dbraw/zinc/41/86/48/540418648.db2.gz MFHBFSBPFSVTFG-NSHDSACASA-N 1 1 359.386 2.306 20 5 FEBDMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000056299056 540716800 /nfs/dbraw/zinc/71/68/00/540716800.db2.gz YPMPOIAHWGTPEP-UHFFFAOYSA-N 1 1 368.393 2.235 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000057552657 540802533 /nfs/dbraw/zinc/80/25/33/540802533.db2.gz BFQMDUSDEFQASE-GUTXKFCHSA-N 1 1 365.405 2.448 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000057552657 540802534 /nfs/dbraw/zinc/80/25/34/540802534.db2.gz BFQMDUSDEFQASE-GUTXKFCHSA-N 1 1 365.405 2.448 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000065424206 541237127 /nfs/dbraw/zinc/23/71/27/541237127.db2.gz QNXFTMXYRYYRRX-LBPRGKRZSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067145815 541424129 /nfs/dbraw/zinc/42/41/29/541424129.db2.gz IACPMTXSLCPGIM-ZIAGYGMSSA-N 1 1 372.429 2.026 20 5 FEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000067149199 541425644 /nfs/dbraw/zinc/42/56/44/541425644.db2.gz IJOLWSJKNJWDAQ-UHFFFAOYSA-N 1 1 372.429 2.122 20 5 FEBDMO COC(=O)c1cc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000068905541 541639400 /nfs/dbraw/zinc/63/94/00/541639400.db2.gz PQDIVLLKNRJSQI-UHFFFAOYSA-N 1 1 363.414 2.376 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000069531045 541694892 /nfs/dbraw/zinc/69/48/92/541694892.db2.gz OSSJIKFNYTWAOQ-UKRRQHHQSA-N 1 1 367.471 2.302 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1C ZINC000074971035 542143062 /nfs/dbraw/zinc/14/30/62/542143062.db2.gz IDNROWVBDXZEKA-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075766948 542202655 /nfs/dbraw/zinc/20/26/55/542202655.db2.gz XDUMSNRJFBRXRR-AAEUAGOBSA-N 1 1 353.448 2.173 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000077010000 542341929 /nfs/dbraw/zinc/34/19/29/542341929.db2.gz HVUAHQKZMNELKW-UHFFFAOYSA-N 1 1 350.375 2.369 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000080154516 542569259 /nfs/dbraw/zinc/56/92/59/542569259.db2.gz XVRGIONVYAEPRL-BETUJISGSA-N 1 1 370.475 2.022 20 5 FEBDMO Cc1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])c1 ZINC000080544373 542594143 /nfs/dbraw/zinc/59/41/43/542594143.db2.gz GFHHXGDNYJEABN-UHFFFAOYSA-N 1 1 356.430 2.317 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000081122184 542634652 /nfs/dbraw/zinc/63/46/52/542634652.db2.gz ISQLCNDWKPYLBL-INIZCTEOSA-N 1 1 371.441 2.259 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)C1 ZINC000089265926 542759537 /nfs/dbraw/zinc/75/95/37/542759537.db2.gz NKLXPOAOGOCTPC-CYBMUJFWSA-N 1 1 358.398 2.217 20 5 FEBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000802138089 674163329 /nfs/dbraw/zinc/16/33/29/674163329.db2.gz YNMOTHCXUSPDME-AWEZNQCLSA-N 1 1 354.428 2.339 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H](C(N)=O)O1 ZINC000092006742 542837005 /nfs/dbraw/zinc/83/70/05/542837005.db2.gz NGRDQTFSMHHHCP-IAQYHMDHSA-N 1 1 361.423 2.398 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@H](C(N)=O)O1 ZINC000092006742 542837009 /nfs/dbraw/zinc/83/70/09/542837009.db2.gz NGRDQTFSMHHHCP-IAQYHMDHSA-N 1 1 361.423 2.398 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)nc1 ZINC000093534736 542934101 /nfs/dbraw/zinc/93/41/01/542934101.db2.gz NQSJQNLJCWYLNX-OAHLLOKOSA-N 1 1 365.397 2.257 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000247449511 549334615 /nfs/dbraw/zinc/33/46/15/549334615.db2.gz YZAIBVLZUWKHJF-KBXCAEBGSA-N 1 1 369.425 2.337 20 5 FEBDMO C[C@H](O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000104683941 543137468 /nfs/dbraw/zinc/13/74/68/543137468.db2.gz OGNNXYCWBKUJSQ-AWEZNQCLSA-N 1 1 361.442 2.499 20 5 FEBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000111266367 543390527 /nfs/dbraw/zinc/39/05/27/543390527.db2.gz OOSGQRLWYMZVQS-JTQLQIEISA-N 1 1 373.356 2.163 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111541322 543406194 /nfs/dbraw/zinc/40/61/94/543406194.db2.gz XQSPCPXQPQCHRF-CYBMUJFWSA-N 1 1 372.425 2.431 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000113197969 543476628 /nfs/dbraw/zinc/47/66/28/543476628.db2.gz GJYOKXCZGZASRK-HNNXBMFYSA-N 1 1 372.429 2.170 20 5 FEBDMO CC(C)OC(=O)C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000114073062 543503092 /nfs/dbraw/zinc/50/30/92/543503092.db2.gz JYYGPIOYSZWQJD-ZBFHGGJFSA-N 1 1 363.414 2.188 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000114140704 543505371 /nfs/dbraw/zinc/50/53/71/543505371.db2.gz HPGBCWKFTAFHTF-UHFFFAOYSA-N 1 1 368.865 2.396 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115273266 543556815 /nfs/dbraw/zinc/55/68/15/543556815.db2.gz KIUBCFPDLUNXBZ-WBVHZDCISA-N 1 1 363.458 2.391 20 5 FEBDMO C[NH+](C)CC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000116372086 543607691 /nfs/dbraw/zinc/60/76/91/543607691.db2.gz WUYGMBKZMPMRKC-ZDUSSCGKSA-N 1 1 361.439 2.379 20 5 FEBDMO CC(C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000117590521 543636329 /nfs/dbraw/zinc/63/63/29/543636329.db2.gz BMGLODYXLLYKLL-INIZCTEOSA-N 1 1 369.849 2.264 20 5 FEBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000121405222 543694040 /nfs/dbraw/zinc/69/40/40/543694040.db2.gz LIHKKKPJGPSTMR-NSHDSACASA-N 1 1 356.810 2.338 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124053374 543797950 /nfs/dbraw/zinc/79/79/50/543797950.db2.gz ZSDFJEWAMLDFFI-GXSJLCMTSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124053374 543797953 /nfs/dbraw/zinc/79/79/53/543797953.db2.gz ZSDFJEWAMLDFFI-GXSJLCMTSA-N 1 1 373.862 2.460 20 5 FEBDMO C[N@H+](CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCSC1 ZINC000126981592 543966502 /nfs/dbraw/zinc/96/65/02/543966502.db2.gz OEMBYURJHMEBBJ-CYBMUJFWSA-N 1 1 361.427 2.361 20 5 FEBDMO C[N@@H+](CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1CCSC1 ZINC000126981592 543966504 /nfs/dbraw/zinc/96/65/04/543966504.db2.gz OEMBYURJHMEBBJ-CYBMUJFWSA-N 1 1 361.427 2.361 20 5 FEBDMO CC(C)OC(=O)[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128910313 544080700 /nfs/dbraw/zinc/08/07/00/544080700.db2.gz YAOKHNOBTHILNO-NSHDSACASA-N 1 1 355.366 2.334 20 5 FEBDMO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128910313 544080703 /nfs/dbraw/zinc/08/07/03/544080703.db2.gz YAOKHNOBTHILNO-NSHDSACASA-N 1 1 355.366 2.334 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000129175356 544095244 /nfs/dbraw/zinc/09/52/44/544095244.db2.gz CNJMXQYPGVEGLA-KBPBESRZSA-N 1 1 364.446 2.011 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCn1ccnc1C ZINC000130779784 544164349 /nfs/dbraw/zinc/16/43/49/544164349.db2.gz VSNJIHFGGKWKHK-UHFFFAOYSA-N 1 1 361.402 2.069 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000131935160 544212946 /nfs/dbraw/zinc/21/29/46/544212946.db2.gz OMBHANMRGQLIIX-PHIMTYICSA-N 1 1 373.251 2.298 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(c2ncc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000131935160 544212948 /nfs/dbraw/zinc/21/29/48/544212948.db2.gz OMBHANMRGQLIIX-PHIMTYICSA-N 1 1 373.251 2.298 20 5 FEBDMO COc1cc(OC)cc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000132512566 544233818 /nfs/dbraw/zinc/23/38/18/544233818.db2.gz RERRAQKNJMRTNI-CQSZACIVSA-N 1 1 373.409 2.263 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000133759822 544282443 /nfs/dbraw/zinc/28/24/43/544282443.db2.gz XLSBJZFHYNUYKJ-OCCSQVGLSA-N 1 1 364.402 2.224 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000133803859 544283832 /nfs/dbraw/zinc/28/38/32/544283832.db2.gz FWMZLVAFWMQJDC-IYBDPMFKSA-N 1 1 360.458 2.225 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000133871909 544286546 /nfs/dbraw/zinc/28/65/46/544286546.db2.gz RCHBZBHDSFAGFN-OAHLLOKOSA-N 1 1 369.849 2.144 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135721450 544359667 /nfs/dbraw/zinc/35/96/67/544359667.db2.gz JBNASTSNDBIFDA-CJNGLKHVSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135721450 544359668 /nfs/dbraw/zinc/35/96/68/544359668.db2.gz JBNASTSNDBIFDA-CJNGLKHVSA-N 1 1 353.444 2.156 20 5 FEBDMO CCN(CC)S(=O)(=O)c1ccc(NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000140023758 544406903 /nfs/dbraw/zinc/40/69/03/544406903.db2.gz ZYZDLSNGQUZGAX-ZDUSSCGKSA-N 1 1 370.475 2.131 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000148537478 544451809 /nfs/dbraw/zinc/45/18/09/544451809.db2.gz UYCWTMLXXUSWFS-FRRDWIJNSA-N 1 1 363.414 2.420 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000153007761 544721612 /nfs/dbraw/zinc/72/16/12/544721612.db2.gz VNXWVFLTRSDQJI-CHWSQXEVSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000152988145 544719694 /nfs/dbraw/zinc/71/96/94/544719694.db2.gz BNSYYIUXFWDRIL-CHWSQXEVSA-N 1 1 355.398 2.136 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COC2CCOCC2)C2CC2)c1 ZINC000153306054 544758490 /nfs/dbraw/zinc/75/84/90/544758490.db2.gz VNDCCUTWXZHZLH-QGZVFWFLSA-N 1 1 350.415 2.116 20 5 FEBDMO Cc1cc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc([N+](=O)[O-])c1 ZINC000154218303 544877496 /nfs/dbraw/zinc/87/74/96/544877496.db2.gz UBXZMZGGGQJGGH-JWTNVVGKSA-N 1 1 372.469 2.286 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000154399206 544901084 /nfs/dbraw/zinc/90/10/84/544901084.db2.gz QJHSQSZGCVCIFH-UHFFFAOYSA-N 1 1 353.444 2.111 20 5 FEBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](O)COCc1ccccc1 ZINC000154250884 544881164 /nfs/dbraw/zinc/88/11/64/544881164.db2.gz AETBFCYIRSUSHR-OALUTQOASA-N 1 1 360.410 2.138 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000154277504 544885333 /nfs/dbraw/zinc/88/53/33/544885333.db2.gz WUEHLGWTRJUNAL-INIZCTEOSA-N 1 1 365.478 2.425 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000154694976 544937793 /nfs/dbraw/zinc/93/77/93/544937793.db2.gz WEDGPBWCULNXSF-CZUORRHYSA-N 1 1 355.460 2.087 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000553385095 674257020 /nfs/dbraw/zinc/25/70/20/674257020.db2.gz IFYKSKFIVMCCDV-LBPRGKRZSA-N 1 1 351.403 2.431 20 5 FEBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000188310658 328079646 /nfs/dbraw/zinc/07/96/46/328079646.db2.gz DVIQZQULITYWTH-UHFFFAOYSA-N 1 1 363.393 2.223 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188609441 328098336 /nfs/dbraw/zinc/09/83/36/328098336.db2.gz YIPHNHRHAHRKOZ-GFCCVEGCSA-N 1 1 367.471 2.234 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000188609441 328098337 /nfs/dbraw/zinc/09/83/37/328098337.db2.gz YIPHNHRHAHRKOZ-GFCCVEGCSA-N 1 1 367.471 2.234 20 5 FEBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000188617975 328098965 /nfs/dbraw/zinc/09/89/65/328098965.db2.gz IUWGIVJJHPZGDM-GFCCVEGCSA-N 1 1 369.849 2.094 20 5 FEBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000188918888 328117983 /nfs/dbraw/zinc/11/79/83/328117983.db2.gz YTPINKPFFJTNSM-UHFFFAOYSA-N 1 1 356.382 2.044 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000189144763 328131045 /nfs/dbraw/zinc/13/10/45/328131045.db2.gz WJCYGILVOFCKLP-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000189178466 328133456 /nfs/dbraw/zinc/13/34/56/328133456.db2.gz GZTVULLGIUERRB-GOSISDBHSA-N 1 1 359.426 2.375 20 5 FEBDMO C[N@@H+](CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CCCC1 ZINC000189371625 328143871 /nfs/dbraw/zinc/14/38/71/328143871.db2.gz XDJMVHXLOBYFOO-UHFFFAOYSA-N 1 1 362.430 2.242 20 5 FEBDMO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000189431476 328147844 /nfs/dbraw/zinc/14/78/44/328147844.db2.gz DMWDSLJFPPKFPC-CYBMUJFWSA-N 1 1 352.309 2.227 20 5 FEBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@@H](O)C(F)(F)F ZINC000189431476 328147845 /nfs/dbraw/zinc/14/78/45/328147845.db2.gz DMWDSLJFPPKFPC-CYBMUJFWSA-N 1 1 352.309 2.227 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000191462984 328266828 /nfs/dbraw/zinc/26/68/28/328266828.db2.gz YBNUDCVDCPEMHD-CYBMUJFWSA-N 1 1 361.402 2.361 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000192728784 328335746 /nfs/dbraw/zinc/33/57/46/328335746.db2.gz JVRANGXLIICVGB-JKSUJKDBSA-N 1 1 359.430 2.167 20 5 FEBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193516885 328379804 /nfs/dbraw/zinc/37/98/04/328379804.db2.gz RSFDRVGPMHMUFL-LJQANCHMSA-N 1 1 356.426 2.250 20 5 FEBDMO Cc1cc(N[C@H](C)C[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195303285 328469803 /nfs/dbraw/zinc/46/98/03/328469803.db2.gz GMJJTVQIHZMKLT-CQSZACIVSA-N 1 1 357.414 2.493 20 5 FEBDMO CC(C)(C)C(=O)N1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000075636173 324897977 /nfs/dbraw/zinc/89/79/77/324897977.db2.gz RWHALGOJDFNVMI-UHFFFAOYSA-N 1 1 362.430 2.114 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000078983284 325070070 /nfs/dbraw/zinc/07/00/70/325070070.db2.gz IJQGYDYFCYRPIX-NSHDSACASA-N 1 1 361.851 2.401 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095751 325159777 /nfs/dbraw/zinc/15/97/77/325159777.db2.gz VCWNVIPCCCETAP-CJNGLKHVSA-N 1 1 364.446 2.204 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000085635822 325256671 /nfs/dbraw/zinc/25/66/71/325256671.db2.gz DESWTWSHPQJTGF-ZDUSSCGKSA-N 1 1 363.462 2.217 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCCN(CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000091084244 325373770 /nfs/dbraw/zinc/37/37/70/325373770.db2.gz DNNGFLHHORWOOI-UHFFFAOYSA-N 1 1 359.373 2.255 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCCN(CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000091084244 325373772 /nfs/dbraw/zinc/37/37/72/325373772.db2.gz DNNGFLHHORWOOI-UHFFFAOYSA-N 1 1 359.373 2.255 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091673380 325389369 /nfs/dbraw/zinc/38/93/69/325389369.db2.gz IDGHCBXMQDHTHW-GHMZBOCLSA-N 1 1 357.208 2.027 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000109983195 325681630 /nfs/dbraw/zinc/68/16/30/325681630.db2.gz UMQMZNGNOKJJIS-HNNXBMFYSA-N 1 1 370.365 2.062 20 5 FEBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(C3OCCO3)CC2)c2c(c1)COCO2 ZINC000110451065 325688089 /nfs/dbraw/zinc/68/80/89/325688089.db2.gz RUPADCIOPQOHEX-UHFFFAOYSA-N 1 1 350.371 2.046 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118125920 326083746 /nfs/dbraw/zinc/08/37/46/326083746.db2.gz LOEZKJDPZPEFEY-GFCCVEGCSA-N 1 1 368.821 2.177 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118126406 326084195 /nfs/dbraw/zinc/08/41/95/326084195.db2.gz QCHSPRWHRQRFEP-GFCCVEGCSA-N 1 1 368.821 2.177 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000118787577 326102560 /nfs/dbraw/zinc/10/25/60/326102560.db2.gz NJPKCLCXBQDKKY-CQSZACIVSA-N 1 1 363.462 2.298 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119063180 326123370 /nfs/dbraw/zinc/12/33/70/326123370.db2.gz FYDDKUCIEFGQBF-UHFFFAOYSA-N 1 1 372.834 2.464 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000119129474 326129727 /nfs/dbraw/zinc/12/97/27/326129727.db2.gz USSJJAAGNMFJIH-CQSZACIVSA-N 1 1 367.471 2.500 20 5 FEBDMO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCN(C)CC1 ZINC000120812054 326290454 /nfs/dbraw/zinc/29/04/54/326290454.db2.gz ULSGRODLUNVEJF-APWZRJJASA-N 1 1 360.502 2.389 20 5 FEBDMO C[C@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[N@H+]1Cc1ccccc1 ZINC000163436584 327051592 /nfs/dbraw/zinc/05/15/92/327051592.db2.gz FTCNWZZEQXTNPV-LJQANCHMSA-N 1 1 371.441 2.352 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172042121 327177605 /nfs/dbraw/zinc/17/76/05/327177605.db2.gz VGCNIXINPPIGSK-NCNPBXTDSA-N 1 1 363.414 2.025 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172717770 327215192 /nfs/dbraw/zinc/21/51/92/327215192.db2.gz LIQBAEWZJUGBPR-LJQANCHMSA-N 1 1 369.421 2.454 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172717770 327215193 /nfs/dbraw/zinc/21/51/93/327215193.db2.gz LIQBAEWZJUGBPR-LJQANCHMSA-N 1 1 369.421 2.454 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000172760600 327217514 /nfs/dbraw/zinc/21/75/14/327217514.db2.gz JMMNFWZJVAVVAV-UHFFFAOYSA-N 1 1 359.373 2.479 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000173024008 327231296 /nfs/dbraw/zinc/23/12/96/327231296.db2.gz LQDCAZQQLKVEQV-SNVBAGLBSA-N 1 1 359.835 2.011 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173256912 327244533 /nfs/dbraw/zinc/24/45/33/327244533.db2.gz GGWYUQHCZPLHJD-KGLIPLIRSA-N 1 1 355.460 2.254 20 5 FEBDMO CC(C)OCC[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000173919869 327294661 /nfs/dbraw/zinc/29/46/61/327294661.db2.gz WOONODRSQSWWDN-UHFFFAOYSA-N 1 1 362.430 2.027 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000174209203 327313066 /nfs/dbraw/zinc/31/30/66/327313066.db2.gz QZJNSLKWTHQXND-CYBMUJFWSA-N 1 1 365.455 2.111 20 5 FEBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261611834 328805358 /nfs/dbraw/zinc/80/53/58/328805358.db2.gz BZMLRLKRTDKTTL-GOSISDBHSA-N 1 1 367.409 2.351 20 5 FEBDMO Cc1nn(CCC(=O)Nc2c[nH+]ccc2-n2cccn2)c(C)c1[N+](=O)[O-] ZINC000264695131 329049910 /nfs/dbraw/zinc/04/99/10/329049910.db2.gz OQRSVGHTLVWFTH-UHFFFAOYSA-N 1 1 355.358 2.018 20 5 FEBDMO COCc1cc([N+](=O)[O-])ccc1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000265998244 329180410 /nfs/dbraw/zinc/18/04/10/329180410.db2.gz KFDBMJYJCFBFBL-SFHVURJKSA-N 1 1 362.474 2.348 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000266094328 329189537 /nfs/dbraw/zinc/18/95/37/329189537.db2.gz ZXCCEKVLTRIEOQ-UHFFFAOYSA-N 1 1 374.260 2.136 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000266190965 329198736 /nfs/dbraw/zinc/19/87/36/329198736.db2.gz GANBNIDKZHZAKU-CYBMUJFWSA-N 1 1 355.460 2.166 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266207029 329200475 /nfs/dbraw/zinc/20/04/75/329200475.db2.gz PMTFKOATKGDHED-WCQYABFASA-N 1 1 359.423 2.085 20 5 FEBDMO COCCCC[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266417646 329220876 /nfs/dbraw/zinc/22/08/76/329220876.db2.gz ABJKLDPRJWBWOC-GOSISDBHSA-N 1 1 362.430 2.081 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCN(C)CC1 ZINC000266545046 329234794 /nfs/dbraw/zinc/23/47/94/329234794.db2.gz JPCUGFKHXDGSSW-MRXNPFEDSA-N 1 1 368.865 2.250 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000266816504 329262510 /nfs/dbraw/zinc/26/25/10/329262510.db2.gz XCBOQOMLZYEJBR-HNNXBMFYSA-N 1 1 364.446 2.477 20 5 FEBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000266927325 329273584 /nfs/dbraw/zinc/27/35/84/329273584.db2.gz OQYNAEMYBVMFHY-GFCCVEGCSA-N 1 1 364.402 2.004 20 5 FEBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000266931424 329273938 /nfs/dbraw/zinc/27/39/38/329273938.db2.gz PXHHVYHONHHQAA-ZDUSSCGKSA-N 1 1 364.402 2.004 20 5 FEBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000267063006 329287897 /nfs/dbraw/zinc/28/78/97/329287897.db2.gz JCQDMKPGHXKPEC-OLZOCXBDSA-N 1 1 353.423 2.026 20 5 FEBDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C[C@H](C)O1 ZINC000267368897 329319664 /nfs/dbraw/zinc/31/96/64/329319664.db2.gz FKBAIZIYNSQOGE-OKILXGFUSA-N 1 1 364.446 2.274 20 5 FEBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267396285 329322577 /nfs/dbraw/zinc/32/25/77/329322577.db2.gz RLZNNBBWZPXWPF-CYBMUJFWSA-N 1 1 359.382 2.135 20 5 FEBDMO CCc1ccc([C@H](COC)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000273221912 329846551 /nfs/dbraw/zinc/84/65/51/329846551.db2.gz AYJSOHSLSOGJRT-YOEHRIQHSA-N 1 1 364.398 2.467 20 5 FEBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000275503757 330056712 /nfs/dbraw/zinc/05/67/12/330056712.db2.gz YDTCJASGMUVVFN-GFCCVEGCSA-N 1 1 361.398 2.258 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000275503757 330056713 /nfs/dbraw/zinc/05/67/13/330056713.db2.gz YDTCJASGMUVVFN-GFCCVEGCSA-N 1 1 361.398 2.258 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061801 330212482 /nfs/dbraw/zinc/21/24/82/330212482.db2.gz YMBRSQDCEZAVAV-MSOLQXFVSA-N 1 1 374.441 2.132 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000367234665 330234238 /nfs/dbraw/zinc/23/42/38/330234238.db2.gz RIXDBXIYDYJMAO-HZPDHXFCSA-N 1 1 355.394 2.431 20 5 FEBDMO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375785028 330250958 /nfs/dbraw/zinc/25/09/58/330250958.db2.gz AHRJUBHEVJUNPC-HOTGVXAUSA-N 1 1 363.414 2.464 20 5 FEBDMO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375785028 330250959 /nfs/dbraw/zinc/25/09/59/330250959.db2.gz AHRJUBHEVJUNPC-HOTGVXAUSA-N 1 1 363.414 2.464 20 5 FEBDMO CN(C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)C(C)(C)C[NH+]1CCOCC1 ZINC000414049859 330257602 /nfs/dbraw/zinc/25/76/02/330257602.db2.gz IYLCHFWWFMXPNA-UHFFFAOYSA-N 1 1 374.441 2.119 20 5 FEBDMO Cc1ccc(N2CC[N@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804624803 674294512 /nfs/dbraw/zinc/29/45/12/674294512.db2.gz AVDBGKGFQGUQSB-LLVKDONJSA-N 1 1 358.236 2.169 20 5 FEBDMO Cc1ccc(N2CC[N@@H+](CCO)[C@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804624803 674294514 /nfs/dbraw/zinc/29/45/14/674294514.db2.gz AVDBGKGFQGUQSB-LLVKDONJSA-N 1 1 358.236 2.169 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)COc3cccc([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000157763414 545780075 /nfs/dbraw/zinc/78/00/75/545780075.db2.gz FWDTYTOHBPERKF-UHFFFAOYSA-N 1 1 370.409 2.462 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158407800 545858166 /nfs/dbraw/zinc/85/81/66/545858166.db2.gz FEDOAPYAXYIXQU-ZFWWWQNUSA-N 1 1 357.414 2.193 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000158647392 545880668 /nfs/dbraw/zinc/88/06/68/545880668.db2.gz LSXUPNZRFBBGRK-UHFFFAOYSA-N 1 1 356.382 2.269 20 5 FEBDMO Nc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000159061325 545918473 /nfs/dbraw/zinc/91/84/73/545918473.db2.gz HGKPDGGEAGNQMG-AWEZNQCLSA-N 1 1 362.361 2.476 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COC1CCOCC1 ZINC000176426610 546444603 /nfs/dbraw/zinc/44/46/03/546444603.db2.gz CSECOAAPDOEHPV-QGZVFWFLSA-N 1 1 352.431 2.362 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000480946806 561220832 /nfs/dbraw/zinc/22/08/32/561220832.db2.gz BXBBNOFNBBCXKD-CYBMUJFWSA-N 1 1 355.460 2.364 20 5 FEBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000178947773 546879061 /nfs/dbraw/zinc/87/90/61/546879061.db2.gz QFMJIGDAELKLPM-IRXDYDNUSA-N 1 1 361.423 2.319 20 5 FEBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000178947773 546879067 /nfs/dbraw/zinc/87/90/67/546879067.db2.gz QFMJIGDAELKLPM-IRXDYDNUSA-N 1 1 361.423 2.319 20 5 FEBDMO COCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000179361731 546940587 /nfs/dbraw/zinc/94/05/87/546940587.db2.gz HYAGEXRTIAZZSP-INIZCTEOSA-N 1 1 365.430 2.359 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000179658925 546992896 /nfs/dbraw/zinc/99/28/96/546992896.db2.gz TXUXZPHYXLEPTO-INIZCTEOSA-N 1 1 371.441 2.455 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000179658925 546992898 /nfs/dbraw/zinc/99/28/98/546992898.db2.gz TXUXZPHYXLEPTO-INIZCTEOSA-N 1 1 371.441 2.455 20 5 FEBDMO Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[NH+]2CCCC2)o1 ZINC000180557649 547129055 /nfs/dbraw/zinc/12/90/55/547129055.db2.gz CDZDPWIHEPPGLW-CQSZACIVSA-N 1 1 359.386 2.040 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000483124146 561268100 /nfs/dbraw/zinc/26/81/00/561268100.db2.gz ZKJUBVOCKIBFPY-INIZCTEOSA-N 1 1 370.409 2.390 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000483124146 561268101 /nfs/dbraw/zinc/26/81/01/561268101.db2.gz ZKJUBVOCKIBFPY-INIZCTEOSA-N 1 1 370.409 2.390 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000182844807 547561013 /nfs/dbraw/zinc/56/10/13/547561013.db2.gz KTLGJYHNUYILHV-LLVKDONJSA-N 1 1 358.324 2.344 20 5 FEBDMO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000484637557 561301902 /nfs/dbraw/zinc/30/19/02/561301902.db2.gz VTSUCKGWXLWNAK-BYCMXARLSA-N 1 1 362.386 2.489 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258408 547795887 /nfs/dbraw/zinc/79/58/87/547795887.db2.gz UCTDNCNQZFKUSH-LBPRGKRZSA-N 1 1 353.394 2.481 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258408 547795892 /nfs/dbraw/zinc/79/58/92/547795892.db2.gz UCTDNCNQZFKUSH-LBPRGKRZSA-N 1 1 353.394 2.481 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184484756 547834130 /nfs/dbraw/zinc/83/41/30/547834130.db2.gz WYAVEJWTMOTULR-AWEZNQCLSA-N 1 1 363.462 2.359 20 5 FEBDMO COC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184631507 547857931 /nfs/dbraw/zinc/85/79/31/547857931.db2.gz AIMUKKBFCXNVND-ZBFHGGJFSA-N 1 1 350.371 2.213 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184650046 547860941 /nfs/dbraw/zinc/86/09/41/547860941.db2.gz XHNFFWSUPRXJIQ-AWEZNQCLSA-N 1 1 370.837 2.158 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000184770775 547876427 /nfs/dbraw/zinc/87/64/27/547876427.db2.gz OXFMSOYKXDTIEB-ZFWWWQNUSA-N 1 1 367.421 2.310 20 5 FEBDMO NC(=O)c1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000185518082 547997432 /nfs/dbraw/zinc/99/74/32/547997432.db2.gz HWMRGQFKRISHHV-UHFFFAOYSA-N 1 1 355.394 2.177 20 5 FEBDMO CC[C@@H]1CN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C[C@@H](C)O ZINC000185564153 548003534 /nfs/dbraw/zinc/00/35/34/548003534.db2.gz MZHITJDYRCWASJ-HZSPNIEDSA-N 1 1 367.421 2.141 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000185979858 548068099 /nfs/dbraw/zinc/06/80/99/548068099.db2.gz UEOKFGGWHNJVHS-DYVFJYSZSA-N 1 1 365.455 2.232 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c([N+](=O)[O-])c1 ZINC000193888332 548400577 /nfs/dbraw/zinc/40/05/77/548400577.db2.gz HWTJTEFXCMDZNW-ZDUSSCGKSA-N 1 1 372.385 2.420 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c([N+](=O)[O-])c1 ZINC000193888332 548400581 /nfs/dbraw/zinc/40/05/81/548400581.db2.gz HWTJTEFXCMDZNW-ZDUSSCGKSA-N 1 1 372.385 2.420 20 5 FEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000194021641 548423730 /nfs/dbraw/zinc/42/37/30/548423730.db2.gz SPUGMEAAEIUZLW-UONOGXRCSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000194021641 548423733 /nfs/dbraw/zinc/42/37/33/548423733.db2.gz SPUGMEAAEIUZLW-UONOGXRCSA-N 1 1 363.458 2.419 20 5 FEBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000194876665 548544759 /nfs/dbraw/zinc/54/47/59/548544759.db2.gz ARNCIIRIKGYLQX-SFHVURJKSA-N 1 1 363.414 2.445 20 5 FEBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000194876665 548544763 /nfs/dbraw/zinc/54/47/63/548544763.db2.gz ARNCIIRIKGYLQX-SFHVURJKSA-N 1 1 363.414 2.445 20 5 FEBDMO CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487000726 561361201 /nfs/dbraw/zinc/36/12/01/561361201.db2.gz MTDLSAGKYMJAQF-JTQLQIEISA-N 1 1 357.794 2.460 20 5 FEBDMO CCOC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487000726 561361202 /nfs/dbraw/zinc/36/12/02/561361202.db2.gz MTDLSAGKYMJAQF-JTQLQIEISA-N 1 1 357.794 2.460 20 5 FEBDMO CC(C)[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000487914575 561378575 /nfs/dbraw/zinc/37/85/75/561378575.db2.gz JFJSNVQRHAUNKL-KRWDZBQOSA-N 1 1 357.458 2.249 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000245455394 548925131 /nfs/dbraw/zinc/92/51/31/548925131.db2.gz SOVQJEUUXUNSKJ-KGLIPLIRSA-N 1 1 364.446 2.204 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000245463357 548927515 /nfs/dbraw/zinc/92/75/15/548927515.db2.gz XHYKZBKIEZJUFS-UKRRQHHQSA-N 1 1 371.397 2.173 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488202756 561386038 /nfs/dbraw/zinc/38/60/38/561386038.db2.gz OHBXBSSMGOQSNT-UHFFFAOYSA-N 1 1 369.219 2.048 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246053162 549042009 /nfs/dbraw/zinc/04/20/09/549042009.db2.gz COMNPTHEIYKAHK-ZFWWWQNUSA-N 1 1 355.460 2.254 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000246063137 549044747 /nfs/dbraw/zinc/04/47/47/549044747.db2.gz ZDBBKRQHAWMABM-KGLIPLIRSA-N 1 1 363.414 2.023 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246114376 549055129 /nfs/dbraw/zinc/05/51/29/549055129.db2.gz IPIGHEZTMUJLDO-XJKSGUPXSA-N 1 1 355.460 2.087 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246380214 549119392 /nfs/dbraw/zinc/11/93/92/549119392.db2.gz OPFRNMQMPLKHHR-DZGCQCFKSA-N 1 1 365.455 2.232 20 5 FEBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1cc(F)cc(F)c1 ZINC000488757704 561396384 /nfs/dbraw/zinc/39/63/84/561396384.db2.gz ZQLUZVRSOJWZRA-UHFFFAOYSA-N 1 1 365.340 2.345 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000488758534 561396463 /nfs/dbraw/zinc/39/64/63/561396463.db2.gz JLGFESKDUYYNCY-MNOVXSKESA-N 1 1 360.357 2.450 20 5 FEBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488805531 561397320 /nfs/dbraw/zinc/39/73/20/561397320.db2.gz XTPLLVJRHHCTFG-YJBOKZPZSA-N 1 1 360.414 2.170 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246782519 549211025 /nfs/dbraw/zinc/21/10/25/549211025.db2.gz RVVDZFJICWTNRB-QWHCGFSZSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246782519 549211031 /nfs/dbraw/zinc/21/10/31/549211031.db2.gz RVVDZFJICWTNRB-QWHCGFSZSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246955102 549250818 /nfs/dbraw/zinc/25/08/18/549250818.db2.gz IHHBWEXPUPPJOC-DZGCQCFKSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000247098062 549283157 /nfs/dbraw/zinc/28/31/57/549283157.db2.gz PWWAVRUBSSOGIY-XJKSGUPXSA-N 1 1 353.444 2.008 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247174266 549294854 /nfs/dbraw/zinc/29/48/54/549294854.db2.gz KVCFPHXOYOYIDN-DOMZBBRYSA-N 1 1 353.444 2.014 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000249172203 549564433 /nfs/dbraw/zinc/56/44/33/549564433.db2.gz LMMXWGGMJCWEMY-KBPBESRZSA-N 1 1 355.460 2.135 20 5 FEBDMO Cc1c(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000253357895 549683282 /nfs/dbraw/zinc/68/32/82/549683282.db2.gz JHUZDOPUHBNHOM-CHWSQXEVSA-N 1 1 362.430 2.078 20 5 FEBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000263717295 549925202 /nfs/dbraw/zinc/92/52/02/549925202.db2.gz NXIZICXUHOKMID-SFHVURJKSA-N 1 1 371.441 2.498 20 5 FEBDMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000490849457 561439188 /nfs/dbraw/zinc/43/91/88/561439188.db2.gz YKESPKQWEQEJHH-ZRGWGRIASA-N 1 1 363.458 2.029 20 5 FEBDMO CN(C)c1cc(NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)cc[nH+]1 ZINC000490872961 561439554 /nfs/dbraw/zinc/43/95/54/561439554.db2.gz DDDUXKUZBHGKSZ-UHFFFAOYSA-N 1 1 352.354 2.494 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](CCCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000268944672 550135070 /nfs/dbraw/zinc/13/50/70/550135070.db2.gz CNIUYSLNRMZCGA-UHFFFAOYSA-N 1 1 373.409 2.427 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CCCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000268944672 550135072 /nfs/dbraw/zinc/13/50/72/550135072.db2.gz CNIUYSLNRMZCGA-UHFFFAOYSA-N 1 1 373.409 2.427 20 5 FEBDMO COc1cc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)ccc1[N+](=O)[O-] ZINC000492973803 561453784 /nfs/dbraw/zinc/45/37/84/561453784.db2.gz UGUNFOCMWPKXKO-UHFFFAOYSA-N 1 1 369.377 2.331 20 5 FEBDMO COc1cc(C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)ccc1[N+](=O)[O-] ZINC000492973803 561453785 /nfs/dbraw/zinc/45/37/85/561453785.db2.gz UGUNFOCMWPKXKO-UHFFFAOYSA-N 1 1 369.377 2.331 20 5 FEBDMO C[N@@H+]1CCC[C@@H]1CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783518 550554215 /nfs/dbraw/zinc/55/42/15/550554215.db2.gz ADTDCYPQGNIOTN-OAHLLOKOSA-N 1 1 372.473 2.468 20 5 FEBDMO C[N@H+]1CCC[C@@H]1CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783518 550554216 /nfs/dbraw/zinc/55/42/16/550554216.db2.gz ADTDCYPQGNIOTN-OAHLLOKOSA-N 1 1 372.473 2.468 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274843105 550558799 /nfs/dbraw/zinc/55/87/99/550558799.db2.gz DHRMNVTXERFSOR-SFHVURJKSA-N 1 1 374.393 2.312 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](OCC2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494652244 561473356 /nfs/dbraw/zinc/47/33/56/561473356.db2.gz RXBDCCOINUXZCX-KRWDZBQOSA-N 1 1 359.426 2.375 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](OCC2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494652244 561473357 /nfs/dbraw/zinc/47/33/57/561473357.db2.gz RXBDCCOINUXZCX-KRWDZBQOSA-N 1 1 359.426 2.375 20 5 FEBDMO COc1ccc(NC(=O)CCN2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277270189 550649913 /nfs/dbraw/zinc/64/99/13/550649913.db2.gz RNIQWOPRDSUSAX-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468250 550674403 /nfs/dbraw/zinc/67/44/03/550674403.db2.gz PJMXNUHHFOTNPD-HUUCEWRRSA-N 1 1 364.446 2.456 20 5 FEBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000278343144 550775167 /nfs/dbraw/zinc/77/51/67/550775167.db2.gz JFEWKWGTALZUQZ-LLVKDONJSA-N 1 1 360.336 2.167 20 5 FEBDMO C[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000278345589 550775545 /nfs/dbraw/zinc/77/55/45/550775545.db2.gz JGZXYWRFMZHAEB-JTQLQIEISA-N 1 1 362.352 2.290 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278350624 550775762 /nfs/dbraw/zinc/77/57/62/550775762.db2.gz AVKOJJNCXHWGKL-ZDUSSCGKSA-N 1 1 371.384 2.304 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278473555 550790307 /nfs/dbraw/zinc/79/03/07/550790307.db2.gz URNRQWFZVWDRKG-UHFFFAOYSA-N 1 1 356.308 2.069 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278664492 550809410 /nfs/dbraw/zinc/80/94/10/550809410.db2.gz KXSLSFMXNWFTBG-ZDUSSCGKSA-N 1 1 374.445 2.487 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000278881683 550832199 /nfs/dbraw/zinc/83/21/99/550832199.db2.gz ORVNJYKOLUAJGH-BETUJISGSA-N 1 1 366.418 2.176 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000278881683 550832201 /nfs/dbraw/zinc/83/22/01/550832201.db2.gz ORVNJYKOLUAJGH-BETUJISGSA-N 1 1 366.418 2.176 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000279107595 550854698 /nfs/dbraw/zinc/85/46/98/550854698.db2.gz BMLPXJHCNWBXRF-IUODEOHRSA-N 1 1 364.421 2.356 20 5 FEBDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000279600322 550907455 /nfs/dbraw/zinc/90/74/55/550907455.db2.gz DLCWYGIYUWINLM-AUUYWEPGSA-N 1 1 372.425 2.375 20 5 FEBDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000279600322 550907456 /nfs/dbraw/zinc/90/74/56/550907456.db2.gz DLCWYGIYUWINLM-AUUYWEPGSA-N 1 1 372.425 2.375 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280102461 550961151 /nfs/dbraw/zinc/96/11/51/550961151.db2.gz PDKPTVMBZYYXKB-YVEFUNNKSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000280102461 550961152 /nfs/dbraw/zinc/96/11/52/550961152.db2.gz PDKPTVMBZYYXKB-YVEFUNNKSA-N 1 1 351.403 2.167 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000280717321 551024619 /nfs/dbraw/zinc/02/46/19/551024619.db2.gz JXKYAXSHOITCNZ-JTNHKYCSSA-N 1 1 360.370 2.447 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000281034841 551056848 /nfs/dbraw/zinc/05/68/48/551056848.db2.gz URDOHQLDUKKXBM-CQSZACIVSA-N 1 1 356.382 2.463 20 5 FEBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281135914 551067143 /nfs/dbraw/zinc/06/71/43/551067143.db2.gz JDYMPHOFXZHRSG-VIFPVBQESA-N 1 1 365.814 2.102 20 5 FEBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281135914 551067145 /nfs/dbraw/zinc/06/71/45/551067145.db2.gz JDYMPHOFXZHRSG-VIFPVBQESA-N 1 1 365.814 2.102 20 5 FEBDMO NC(=O)c1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000281709285 551133474 /nfs/dbraw/zinc/13/34/74/551133474.db2.gz OLCVNNCAGOUPQP-LJQANCHMSA-N 1 1 355.394 2.007 20 5 FEBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281894516 551154430 /nfs/dbraw/zinc/15/44/30/551154430.db2.gz BDHFHVFOSKPTNH-IGCXYCKISA-N 1 1 361.398 2.197 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@H]1C ZINC000497514255 561502805 /nfs/dbraw/zinc/50/28/05/561502805.db2.gz BRIAMIOYYIQBRF-ZIAGYGMSSA-N 1 1 371.441 2.478 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@H]1C ZINC000497514255 561502806 /nfs/dbraw/zinc/50/28/06/561502806.db2.gz BRIAMIOYYIQBRF-ZIAGYGMSSA-N 1 1 371.441 2.478 20 5 FEBDMO COC(=O)CC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000497728069 561507249 /nfs/dbraw/zinc/50/72/49/561507249.db2.gz RNNLGSOITRDJTH-UHFFFAOYSA-N 1 1 360.370 2.420 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H]1c1ccccc1 ZINC000284375117 551535786 /nfs/dbraw/zinc/53/57/86/551535786.db2.gz LMMAGWPOSDGYRQ-WBVHZDCISA-N 1 1 358.373 2.491 20 5 FEBDMO Cc1noc([C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CCOCC2)n1 ZINC000498359673 561523269 /nfs/dbraw/zinc/52/32/69/561523269.db2.gz RNOXQFYOANWFOO-INIZCTEOSA-N 1 1 362.386 2.423 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCn1cnc2ccccc2c1=O ZINC000285169458 551714540 /nfs/dbraw/zinc/71/45/40/551714540.db2.gz BAXRUJQFSIWBPD-UHFFFAOYSA-N 1 1 352.394 2.479 20 5 FEBDMO Cc1cc(=O)n2nc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])sc2n1 ZINC000285251796 551726887 /nfs/dbraw/zinc/72/68/87/551726887.db2.gz HEQZWJSKRSPIDH-UHFFFAOYSA-N 1 1 359.411 2.042 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285319287 551737256 /nfs/dbraw/zinc/73/72/56/551737256.db2.gz RDMKOXGZWQUQPF-BYQDXSGLSA-N 1 1 365.817 2.193 20 5 FEBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1Cc1ccccc1 ZINC000285687453 551795338 /nfs/dbraw/zinc/79/53/38/551795338.db2.gz AEHAIABVJFBGAN-MRXNPFEDSA-N 1 1 354.410 2.176 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1Cc1ccccc1 ZINC000285687453 551795341 /nfs/dbraw/zinc/79/53/41/551795341.db2.gz AEHAIABVJFBGAN-MRXNPFEDSA-N 1 1 354.410 2.176 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000286115806 551850277 /nfs/dbraw/zinc/85/02/77/551850277.db2.gz JENAKKBDYAUMER-ZIAGYGMSSA-N 1 1 350.419 2.130 20 5 FEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000286286454 551870007 /nfs/dbraw/zinc/87/00/07/551870007.db2.gz HGQVLUPKKGWXMP-GOOCMWNKSA-N 1 1 374.441 2.293 20 5 FEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000286286454 551870008 /nfs/dbraw/zinc/87/00/08/551870008.db2.gz HGQVLUPKKGWXMP-GOOCMWNKSA-N 1 1 374.441 2.293 20 5 FEBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286343042 551876792 /nfs/dbraw/zinc/87/67/92/551876792.db2.gz RZKGIDXNLWXDEA-AWEZNQCLSA-N 1 1 368.231 2.336 20 5 FEBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286571580 551901390 /nfs/dbraw/zinc/90/13/90/551901390.db2.gz UOFKTBODIRDBNH-CYBMUJFWSA-N 1 1 350.375 2.384 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000287344543 551992112 /nfs/dbraw/zinc/99/21/12/551992112.db2.gz LCWGVZNTEPINCK-LBPRGKRZSA-N 1 1 351.378 2.187 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000287344543 551992113 /nfs/dbraw/zinc/99/21/13/551992113.db2.gz LCWGVZNTEPINCK-LBPRGKRZSA-N 1 1 351.378 2.187 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000288769187 552209127 /nfs/dbraw/zinc/20/91/27/552209127.db2.gz JJZBASGYDQPKAW-NSHDSACASA-N 1 1 368.409 2.217 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514297 552491111 /nfs/dbraw/zinc/49/11/11/552491111.db2.gz AYFOABAXOGXAHA-DOMZBBRYSA-N 1 1 355.398 2.021 20 5 FEBDMO Cc1cc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc(N2CCCC2)[nH+]1 ZINC000291183056 552597333 /nfs/dbraw/zinc/59/73/33/552597333.db2.gz SBXPLDJTUZPQMH-UHFFFAOYSA-N 1 1 356.386 2.004 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291777522 552660714 /nfs/dbraw/zinc/66/07/14/552660714.db2.gz MBRASBMQXVEWEZ-CQSZACIVSA-N 1 1 359.386 2.076 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[N@H+](C(C)C)CC1 ZINC000292615566 552743136 /nfs/dbraw/zinc/74/31/36/552743136.db2.gz XKVFPTUZBVJCIW-CQSZACIVSA-N 1 1 364.446 2.347 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000293881511 552864958 /nfs/dbraw/zinc/86/49/58/552864958.db2.gz FVJJCUHXVNEGCF-LJQANCHMSA-N 1 1 356.426 2.494 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000294392683 552902512 /nfs/dbraw/zinc/90/25/12/552902512.db2.gz JXYPQCCCBFXMSS-DOMZBBRYSA-N 1 1 364.421 2.356 20 5 FEBDMO Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000294856967 552939147 /nfs/dbraw/zinc/93/91/47/552939147.db2.gz CTXLERGCLSVORG-ZDUSSCGKSA-N 1 1 362.459 2.416 20 5 FEBDMO CCOc1cc(C[N@H+]2CC[C@@](COC)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000295060078 552955157 /nfs/dbraw/zinc/95/51/57/552955157.db2.gz BSROLVZQLQZIHR-QGZVFWFLSA-N 1 1 352.387 2.005 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000295482905 553014255 /nfs/dbraw/zinc/01/42/55/553014255.db2.gz ODTHMIJJWIKPJG-KBPBESRZSA-N 1 1 367.471 2.038 20 5 FEBDMO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296722087 553203090 /nfs/dbraw/zinc/20/30/90/553203090.db2.gz GHWONKCYWXUIHT-JJRVBVJISA-N 1 1 362.430 2.160 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296762327 553208384 /nfs/dbraw/zinc/20/83/84/553208384.db2.gz PHOPCTHKXBYVMG-AWEZNQCLSA-N 1 1 364.402 2.004 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000297933800 553359245 /nfs/dbraw/zinc/35/92/45/553359245.db2.gz RLAMSDDDIUFXEH-ZDUSSCGKSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000298458080 553427367 /nfs/dbraw/zinc/42/73/67/553427367.db2.gz HXULFAUZZAWASP-OAHLLOKOSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000298458080 553427368 /nfs/dbraw/zinc/42/73/68/553427368.db2.gz HXULFAUZZAWASP-OAHLLOKOSA-N 1 1 359.386 2.492 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000299141537 553520837 /nfs/dbraw/zinc/52/08/37/553520837.db2.gz HVIWYXHOUONSDJ-CYBMUJFWSA-N 1 1 374.422 2.358 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000299141537 553520838 /nfs/dbraw/zinc/52/08/38/553520838.db2.gz HVIWYXHOUONSDJ-CYBMUJFWSA-N 1 1 374.422 2.358 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299234968 553534510 /nfs/dbraw/zinc/53/45/10/553534510.db2.gz UFVAZKXSCXFKTL-CQSZACIVSA-N 1 1 367.471 2.256 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2[C@@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000299505293 553572812 /nfs/dbraw/zinc/57/28/12/553572812.db2.gz BVERXEXAOPFLQS-STQMWFEESA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299556719 553580873 /nfs/dbraw/zinc/58/08/73/553580873.db2.gz XEDSENBKKPJAHP-KBPBESRZSA-N 1 1 362.386 2.476 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1[N+](=O)[O-] ZINC000299565636 553582225 /nfs/dbraw/zinc/58/22/25/553582225.db2.gz MIUALQSKMWTYFN-UHFFFAOYSA-N 1 1 369.425 2.289 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)c1[N+](=O)[O-] ZINC000299565636 553582227 /nfs/dbraw/zinc/58/22/27/553582227.db2.gz MIUALQSKMWTYFN-UHFFFAOYSA-N 1 1 369.425 2.289 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)c1[N+](=O)[O-] ZINC000299565636 553582229 /nfs/dbraw/zinc/58/22/29/553582229.db2.gz MIUALQSKMWTYFN-UHFFFAOYSA-N 1 1 369.425 2.289 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000301238540 553633858 /nfs/dbraw/zinc/63/38/58/553633858.db2.gz NEDAYEUPQOPSHI-FRRDWIJNSA-N 1 1 370.475 2.021 20 5 FEBDMO Cc1cc(OC[C@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000504672814 561661057 /nfs/dbraw/zinc/66/10/57/561661057.db2.gz FHHKCRIUFVPBAP-FRRDWIJNSA-N 1 1 358.822 2.406 20 5 FEBDMO Cc1cc(OC[C@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000504672814 561661058 /nfs/dbraw/zinc/66/10/58/561661058.db2.gz FHHKCRIUFVPBAP-FRRDWIJNSA-N 1 1 358.822 2.406 20 5 FEBDMO Cc1cc(OC[C@@H](O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000504672817 561661148 /nfs/dbraw/zinc/66/11/48/561661148.db2.gz FHHKCRIUFVPBAP-XQQFMLRXSA-N 1 1 358.822 2.406 20 5 FEBDMO Cc1cc(OC[C@@H](O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000504672817 561661149 /nfs/dbraw/zinc/66/11/49/561661149.db2.gz FHHKCRIUFVPBAP-XQQFMLRXSA-N 1 1 358.822 2.406 20 5 FEBDMO CC[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301669712 553670406 /nfs/dbraw/zinc/67/04/06/553670406.db2.gz PXJTYPDCVISKJG-HOCLYGCPSA-N 1 1 372.429 2.059 20 5 FEBDMO CC[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301669712 553670407 /nfs/dbraw/zinc/67/04/07/553670407.db2.gz PXJTYPDCVISKJG-HOCLYGCPSA-N 1 1 372.429 2.059 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301836668 553683852 /nfs/dbraw/zinc/68/38/52/553683852.db2.gz XKIRCLYFXNYLAF-OAHLLOKOSA-N 1 1 352.822 2.167 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302113799 553705006 /nfs/dbraw/zinc/70/50/06/553705006.db2.gz BRVHRWSLCJAGQC-LBPRGKRZSA-N 1 1 370.475 2.165 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000302284555 553714033 /nfs/dbraw/zinc/71/40/33/553714033.db2.gz VMYFQKMULZLKFX-LLVKDONJSA-N 1 1 372.267 2.190 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](C)O1 ZINC000302827097 553735369 /nfs/dbraw/zinc/73/53/69/553735369.db2.gz BBUZQUNHXUIRMG-BETUJISGSA-N 1 1 362.430 2.025 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@H](C)O1 ZINC000302827097 553735370 /nfs/dbraw/zinc/73/53/70/553735370.db2.gz BBUZQUNHXUIRMG-BETUJISGSA-N 1 1 362.430 2.025 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000313352180 553757890 /nfs/dbraw/zinc/75/78/90/553757890.db2.gz NYCAKCNEDLGFRB-KRWDZBQOSA-N 1 1 361.423 2.071 20 5 FEBDMO C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCO1 ZINC000330714811 554162016 /nfs/dbraw/zinc/16/20/16/554162016.db2.gz SGMAIPHACJXZMO-CHWSQXEVSA-N 1 1 353.444 2.229 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000330892310 554183810 /nfs/dbraw/zinc/18/38/10/554183810.db2.gz XQYIVLQLMFKIRQ-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000332320727 554424475 /nfs/dbraw/zinc/42/44/75/554424475.db2.gz RMCDYCXTLFXLED-HNNXBMFYSA-N 1 1 368.455 2.117 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000332320727 554424479 /nfs/dbraw/zinc/42/44/79/554424479.db2.gz RMCDYCXTLFXLED-HNNXBMFYSA-N 1 1 368.455 2.117 20 5 FEBDMO Cc1sc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000510541056 561838385 /nfs/dbraw/zinc/83/83/85/561838385.db2.gz YKVNQGFNWSUFCF-FOSCPWQOSA-N 1 1 359.473 2.210 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000361110194 554904880 /nfs/dbraw/zinc/90/48/80/554904880.db2.gz VOVHROHWXDRCTD-ABAIWWIYSA-N 1 1 352.822 2.213 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000361213423 554910058 /nfs/dbraw/zinc/91/00/58/554910058.db2.gz FMPIHDANDLYETA-STQMWFEESA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000361213423 554910060 /nfs/dbraw/zinc/91/00/60/554910060.db2.gz FMPIHDANDLYETA-STQMWFEESA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000362470048 554973926 /nfs/dbraw/zinc/97/39/26/554973926.db2.gz ZQZCMTZBZYZZPA-QWHCGFSZSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000362470048 554973927 /nfs/dbraw/zinc/97/39/27/554973927.db2.gz ZQZCMTZBZYZZPA-QWHCGFSZSA-N 1 1 353.806 2.231 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000362489821 554975581 /nfs/dbraw/zinc/97/55/81/554975581.db2.gz XBGRHWYSLCLSBA-HOTGVXAUSA-N 1 1 361.442 2.191 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)cc2N1 ZINC000362926336 554999917 /nfs/dbraw/zinc/99/99/17/554999917.db2.gz QAYCKFUYZSPKDN-SQWLQELKSA-N 1 1 356.426 2.400 20 5 FEBDMO CCc1nc([C@@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)no1 ZINC000363103262 555031038 /nfs/dbraw/zinc/03/10/38/555031038.db2.gz FXMDPGTWHJBDGG-CYBMUJFWSA-N 1 1 359.386 2.019 20 5 FEBDMO CCc1nc([C@@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)no1 ZINC000363103262 555031042 /nfs/dbraw/zinc/03/10/42/555031042.db2.gz FXMDPGTWHJBDGG-CYBMUJFWSA-N 1 1 359.386 2.019 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000363234336 555060219 /nfs/dbraw/zinc/06/02/19/555060219.db2.gz JXCQZPPLWQNVOU-NCNPBXTDSA-N 1 1 363.414 2.025 20 5 FEBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000363711463 555169822 /nfs/dbraw/zinc/16/98/22/555169822.db2.gz JIBLHSVZCKSPMD-UGSOOPFHSA-N 1 1 372.381 2.420 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364018961 555234866 /nfs/dbraw/zinc/23/48/66/555234866.db2.gz GZTLOCVPFCDGML-ZWKOTPCHSA-N 1 1 374.441 2.399 20 5 FEBDMO O=C1[C@@H]([NH+]2CCC(n3cccn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000364529411 555330331 /nfs/dbraw/zinc/33/03/31/555330331.db2.gz OWZVTGCXCAYPMT-KRWDZBQOSA-N 1 1 355.398 2.234 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](N2CCOCC2)C(F)(F)F)c(F)c1 ZINC000512972774 561921319 /nfs/dbraw/zinc/92/13/19/561921319.db2.gz WEPZYSYBWZLFCC-ZDUSSCGKSA-N 1 1 351.300 2.087 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000365338526 555547609 /nfs/dbraw/zinc/54/76/09/555547609.db2.gz HOEFPIPRJCVBQJ-CQSZACIVSA-N 1 1 366.849 2.100 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000365629529 555627060 /nfs/dbraw/zinc/62/70/60/555627060.db2.gz MYEYRENIWPRXBH-VYDXJSESSA-N 1 1 368.393 2.070 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000365772445 555664281 /nfs/dbraw/zinc/66/42/81/555664281.db2.gz AEIPNRLGYCECQG-BONVTDFDSA-N 1 1 355.797 2.482 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000365818100 555674251 /nfs/dbraw/zinc/67/42/51/555674251.db2.gz ISXKAMXFKJXCJW-UHFFFAOYSA-N 1 1 351.359 2.275 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000365818100 555674253 /nfs/dbraw/zinc/67/42/53/555674253.db2.gz ISXKAMXFKJXCJW-UHFFFAOYSA-N 1 1 351.359 2.275 20 5 FEBDMO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000366435731 555842917 /nfs/dbraw/zinc/84/29/17/555842917.db2.gz IEMHHZLCBUKRRQ-CQSZACIVSA-N 1 1 356.444 2.263 20 5 FEBDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000366435731 555842919 /nfs/dbraw/zinc/84/29/19/555842919.db2.gz IEMHHZLCBUKRRQ-CQSZACIVSA-N 1 1 356.444 2.263 20 5 FEBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000367000651 555994159 /nfs/dbraw/zinc/99/41/59/555994159.db2.gz KTSGFRJZNXFKGX-HNNXBMFYSA-N 1 1 374.466 2.268 20 5 FEBDMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367386212 556035058 /nfs/dbraw/zinc/03/50/58/556035058.db2.gz QBMWWWQZRWSWER-LBPRGKRZSA-N 1 1 368.365 2.397 20 5 FEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367924795 556174428 /nfs/dbraw/zinc/17/44/28/556174428.db2.gz BXXWYBGDRGJHKC-KDOFPFPSSA-N 1 1 360.458 2.260 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368056233 556206368 /nfs/dbraw/zinc/20/63/68/556206368.db2.gz REMNLICYNHRXOM-ACJLOTCBSA-N 1 1 365.430 2.271 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368056233 556206369 /nfs/dbraw/zinc/20/63/69/556206369.db2.gz REMNLICYNHRXOM-ACJLOTCBSA-N 1 1 365.430 2.271 20 5 FEBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000368283351 556267541 /nfs/dbraw/zinc/26/75/41/556267541.db2.gz IUYSKDKKFGMBGJ-GFCCVEGCSA-N 1 1 358.402 2.197 20 5 FEBDMO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nn1 ZINC000368841918 556427592 /nfs/dbraw/zinc/42/75/92/556427592.db2.gz HVYGKYGPCYWLJD-AWEZNQCLSA-N 1 1 359.386 2.118 20 5 FEBDMO Cc1c(-c2cc(C[N@@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)on2)cnn1C ZINC000369017306 556477368 /nfs/dbraw/zinc/47/73/68/556477368.db2.gz NYTVSBWCXNQZJO-CYBMUJFWSA-N 1 1 371.401 2.325 20 5 FEBDMO Cc1c(-c2cc(C[N@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)on2)cnn1C ZINC000369017306 556477369 /nfs/dbraw/zinc/47/73/69/556477369.db2.gz NYTVSBWCXNQZJO-CYBMUJFWSA-N 1 1 371.401 2.325 20 5 FEBDMO CCCN1CC[NH+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000369153687 556519003 /nfs/dbraw/zinc/51/90/03/556519003.db2.gz DPXUFOLFGJGMBX-UHFFFAOYSA-N 1 1 360.458 2.227 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCOC[C@H]2Cc2c[nH]c3ccccc23)n1 ZINC000369192329 556531748 /nfs/dbraw/zinc/53/17/48/556531748.db2.gz FPTIHOXYHVRZIM-OAHLLOKOSA-N 1 1 355.398 2.216 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCOC[C@H]2Cc2c[nH]c3ccccc23)n1 ZINC000369192329 556531749 /nfs/dbraw/zinc/53/17/49/556531749.db2.gz FPTIHOXYHVRZIM-OAHLLOKOSA-N 1 1 355.398 2.216 20 5 FEBDMO Cc1cc(C(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000369310134 556571203 /nfs/dbraw/zinc/57/12/03/556571203.db2.gz LNGYVWBLRDBWJG-MRXNPFEDSA-N 1 1 360.458 2.003 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369817226 556703629 /nfs/dbraw/zinc/70/36/29/556703629.db2.gz YUJRQYUSQOZUNV-CQSZACIVSA-N 1 1 374.441 2.256 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000369824998 556705256 /nfs/dbraw/zinc/70/52/56/556705256.db2.gz FJTZZGWLGCANGG-CZUORRHYSA-N 1 1 352.341 2.268 20 5 FEBDMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000516548914 562047180 /nfs/dbraw/zinc/04/71/80/562047180.db2.gz PIXNVXPMOGZZDT-WJFTUGDTSA-N 1 1 373.453 2.458 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370013531 556757501 /nfs/dbraw/zinc/75/75/01/556757501.db2.gz WXAGRAZIQSYLIH-ZIAGYGMSSA-N 1 1 357.414 2.220 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370013531 556757504 /nfs/dbraw/zinc/75/75/04/556757504.db2.gz WXAGRAZIQSYLIH-ZIAGYGMSSA-N 1 1 357.414 2.220 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000370047407 556766661 /nfs/dbraw/zinc/76/66/61/556766661.db2.gz XJKPXXZIRKEIGO-VIFPVBQESA-N 1 1 358.324 2.450 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000370047407 556766663 /nfs/dbraw/zinc/76/66/63/556766663.db2.gz XJKPXXZIRKEIGO-VIFPVBQESA-N 1 1 358.324 2.450 20 5 FEBDMO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1C1CCN(C)CC1 ZINC000370121532 556786402 /nfs/dbraw/zinc/78/64/02/556786402.db2.gz MSHMXYZOQFCOFC-CQSZACIVSA-N 1 1 359.474 2.168 20 5 FEBDMO C[C@@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1C1CCN(C)CC1 ZINC000370121532 556786404 /nfs/dbraw/zinc/78/64/04/556786404.db2.gz MSHMXYZOQFCOFC-CQSZACIVSA-N 1 1 359.474 2.168 20 5 FEBDMO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1F)C1([NH+]2CCOCC2)CCCC1 ZINC000370141343 556791879 /nfs/dbraw/zinc/79/18/79/556791879.db2.gz GLHDIRYRFNILOI-ZDUSSCGKSA-N 1 1 365.405 2.497 20 5 FEBDMO COCCC[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000370537802 556902867 /nfs/dbraw/zinc/90/28/67/556902867.db2.gz BZXNVLMQSMMZSO-UHFFFAOYSA-N 1 1 365.430 2.238 20 5 FEBDMO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370820512 556979672 /nfs/dbraw/zinc/97/96/72/556979672.db2.gz PKOIUHISEQSJSK-DVBCCOPCSA-N 1 1 372.469 2.235 20 5 FEBDMO CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370820512 556979674 /nfs/dbraw/zinc/97/96/74/556979674.db2.gz PKOIUHISEQSJSK-DVBCCOPCSA-N 1 1 372.469 2.235 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000371023688 557049944 /nfs/dbraw/zinc/04/99/44/557049944.db2.gz VSYHHEIIIQLTPF-CQSZACIVSA-N 1 1 360.418 2.111 20 5 FEBDMO Cc1[nH+]c(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c2n1CCCC2 ZINC000371306193 557139097 /nfs/dbraw/zinc/13/90/97/557139097.db2.gz SIJBVJNBRBHANZ-UHFFFAOYSA-N 1 1 354.370 2.242 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccnc3)C2)c1 ZINC000372271240 557426933 /nfs/dbraw/zinc/42/69/33/557426933.db2.gz AZJKOAANZMEYDD-OAHLLOKOSA-N 1 1 353.386 2.414 20 5 FEBDMO O=c1[nH]c(CC[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)nc2ccccc12 ZINC000372473014 557480015 /nfs/dbraw/zinc/48/00/15/557480015.db2.gz OFLRPPYGUHOKTF-ZDUSSCGKSA-N 1 1 368.397 2.320 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC12CCC2 ZINC000373184365 557645915 /nfs/dbraw/zinc/64/59/15/557645915.db2.gz VYUUALDPQGTILL-HNNXBMFYSA-N 1 1 362.382 2.236 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC12CCC2 ZINC000373184365 557645917 /nfs/dbraw/zinc/64/59/17/557645917.db2.gz VYUUALDPQGTILL-HNNXBMFYSA-N 1 1 362.382 2.236 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471135 557699850 /nfs/dbraw/zinc/69/98/50/557699850.db2.gz KJVICLYMSZBBDF-HUUCEWRRSA-N 1 1 364.450 2.012 20 5 FEBDMO CO[C@H](C)c1nc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000520398091 562155355 /nfs/dbraw/zinc/15/53/55/562155355.db2.gz QPLUTETXLZVDKX-YPMHNXCESA-N 1 1 367.427 2.288 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000373886307 557780222 /nfs/dbraw/zinc/78/02/22/557780222.db2.gz SFYKYGMMYURDJM-UHFFFAOYSA-N 1 1 363.805 2.381 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000373939096 557791796 /nfs/dbraw/zinc/79/17/96/557791796.db2.gz QMZUDMDEIVYUPL-QWHCGFSZSA-N 1 1 363.414 2.359 20 5 FEBDMO CC[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000374163371 557834694 /nfs/dbraw/zinc/83/46/94/557834694.db2.gz SYLJKMFVBCAEAG-LLHDCHNASA-N 1 1 359.426 2.177 20 5 FEBDMO C[C@H]([C@@H]1CN(Cc2ccccc2)CCO1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000374896623 557947297 /nfs/dbraw/zinc/94/72/97/557947297.db2.gz OZZSAFNZFGIRCQ-AEFFLSMTSA-N 1 1 373.457 2.013 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@@H]21 ZINC000375062040 557972143 /nfs/dbraw/zinc/97/21/43/557972143.db2.gz RVZFWQPKNNNBOI-BEFAXECRSA-N 1 1 372.469 2.364 20 5 FEBDMO CC1(c2cc(N3CC[NH+](C[C@H](O)c4cccc([N+](=O)[O-])c4)CC3)n[nH]2)CC1 ZINC000375396417 558020591 /nfs/dbraw/zinc/02/05/91/558020591.db2.gz VCXPEAOBXGFPIN-INIZCTEOSA-N 1 1 371.441 2.225 20 5 FEBDMO CCOc1cc(CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000375430137 558025818 /nfs/dbraw/zinc/02/58/18/558025818.db2.gz WFZIAWLOHBYZPD-IRXDYDNUSA-N 1 1 363.458 2.415 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375443939 558028426 /nfs/dbraw/zinc/02/84/26/558028426.db2.gz HRCLSZCLPASDCO-KGLIPLIRSA-N 1 1 374.397 2.084 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128769 558130477 /nfs/dbraw/zinc/13/04/77/558130477.db2.gz HBZAUJDCEWQPKJ-KDOFPFPSSA-N 1 1 366.414 2.252 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128769 558130479 /nfs/dbraw/zinc/13/04/79/558130479.db2.gz HBZAUJDCEWQPKJ-KDOFPFPSSA-N 1 1 366.414 2.252 20 5 FEBDMO CCN1CCC([N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000376355556 558162394 /nfs/dbraw/zinc/16/23/94/558162394.db2.gz TWQZHBSOUMNONV-QGZVFWFLSA-N 1 1 363.458 2.283 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377389800 558331681 /nfs/dbraw/zinc/33/16/81/558331681.db2.gz IHUSTWBURATZGY-CQSZACIVSA-N 1 1 367.413 2.493 20 5 FEBDMO Cn1cc([C@H]2[C@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCC[N@H+]2C)cn1 ZINC000377693822 558399377 /nfs/dbraw/zinc/39/93/77/558399377.db2.gz CKWOITGVHFYSAO-APPDUMDISA-N 1 1 371.401 2.360 20 5 FEBDMO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+]1CCc2ccccc2C1 ZINC000522592688 562200151 /nfs/dbraw/zinc/20/01/51/562200151.db2.gz JHMRVDCVNNRBHR-AWEZNQCLSA-N 1 1 371.441 2.089 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603876 558592236 /nfs/dbraw/zinc/59/22/36/558592236.db2.gz FDTZJOBXGXOLBF-GDBMZVCRSA-N 1 1 371.441 2.311 20 5 FEBDMO O=C(C[NH+]1CCC([C@H]2CCOC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000378652601 558601345 /nfs/dbraw/zinc/60/13/45/558601345.db2.gz VLWODPXLMGKISH-INIZCTEOSA-N 1 1 359.426 2.232 20 5 FEBDMO COC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCCO1 ZINC000392784292 558619021 /nfs/dbraw/zinc/61/90/21/558619021.db2.gz JVPASFXEBMHILW-HNNXBMFYSA-N 1 1 352.387 2.148 20 5 FEBDMO COC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCCO1 ZINC000392784292 558619022 /nfs/dbraw/zinc/61/90/22/558619022.db2.gz JVPASFXEBMHILW-HNNXBMFYSA-N 1 1 352.387 2.148 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239627 558659723 /nfs/dbraw/zinc/65/97/23/558659723.db2.gz ZTOCLZOAYMCPFZ-ZIAGYGMSSA-N 1 1 353.444 2.151 20 5 FEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000409457527 558693833 /nfs/dbraw/zinc/69/38/33/558693833.db2.gz TZGUGXDBBPPDRW-GDBMZVCRSA-N 1 1 357.414 2.133 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000524871995 562236455 /nfs/dbraw/zinc/23/64/55/562236455.db2.gz MQJKAPPVFMKFMI-TZMCWYRMSA-N 1 1 355.460 2.397 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000411306240 558872961 /nfs/dbraw/zinc/87/29/61/558872961.db2.gz YRLIWNNMPFJEFA-UKRRQHHQSA-N 1 1 362.430 2.173 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411317739 558875564 /nfs/dbraw/zinc/87/55/64/558875564.db2.gz PDBWZGFXSCDUDD-CJNGLKHVSA-N 1 1 363.414 2.433 20 5 FEBDMO CC[C@]1(C)COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411421113 558891942 /nfs/dbraw/zinc/89/19/42/558891942.db2.gz IBRAQHPVAJDAKE-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411581555 558922041 /nfs/dbraw/zinc/92/20/41/558922041.db2.gz IUTHXIULQHLWDZ-CQSZACIVSA-N 1 1 362.430 2.093 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411581555 558922042 /nfs/dbraw/zinc/92/20/42/558922042.db2.gz IUTHXIULQHLWDZ-CQSZACIVSA-N 1 1 362.430 2.093 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@@H]1C ZINC000411655729 558937107 /nfs/dbraw/zinc/93/71/07/558937107.db2.gz MKVMXJBOHHXSPV-HIFRSBDPSA-N 1 1 351.403 2.049 20 5 FEBDMO O=C(CC[N@H+](CCO)[C@@H]1CCCSC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411660192 558938179 /nfs/dbraw/zinc/93/81/79/558938179.db2.gz ALUCBGGELATIKY-OAHLLOKOSA-N 1 1 353.444 2.113 20 5 FEBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411728880 558951532 /nfs/dbraw/zinc/95/15/32/558951532.db2.gz VMOWANIWIAISSN-OAHLLOKOSA-N 1 1 362.430 2.304 20 5 FEBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000412052111 559006938 /nfs/dbraw/zinc/00/69/38/559006938.db2.gz BRBUCTGTAVOOCZ-MRXNPFEDSA-N 1 1 374.441 2.035 20 5 FEBDMO CN(C(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000412052111 559006939 /nfs/dbraw/zinc/00/69/39/559006939.db2.gz BRBUCTGTAVOOCZ-MRXNPFEDSA-N 1 1 374.441 2.035 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000412105120 559014223 /nfs/dbraw/zinc/01/42/23/559014223.db2.gz OPUFIDXXAOWGED-KRWDZBQOSA-N 1 1 352.387 2.257 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c(F)c1 ZINC000413067803 559074669 /nfs/dbraw/zinc/07/46/69/559074669.db2.gz FPTGRIZVYHUYAZ-UHFFFAOYSA-N 1 1 366.315 2.220 20 5 FEBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+](C)C1 ZINC000413506311 559112692 /nfs/dbraw/zinc/11/26/92/559112692.db2.gz VOQKWSXLUQFUBL-JTQLQIEISA-N 1 1 361.320 2.155 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421010998 559519522 /nfs/dbraw/zinc/51/95/22/559519522.db2.gz GQKVZKPYMXVWEZ-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421010998 559519523 /nfs/dbraw/zinc/51/95/23/559519523.db2.gz GQKVZKPYMXVWEZ-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO CC(C)[N@@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](O)CO ZINC000421411538 559541771 /nfs/dbraw/zinc/54/17/71/559541771.db2.gz QVSONBITGCRMFC-HNNXBMFYSA-N 1 1 351.428 2.282 20 5 FEBDMO CC(C)[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C[C@H](O)CO ZINC000421411538 559541772 /nfs/dbraw/zinc/54/17/72/559541772.db2.gz QVSONBITGCRMFC-HNNXBMFYSA-N 1 1 351.428 2.282 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000421707687 559550258 /nfs/dbraw/zinc/55/02/58/559550258.db2.gz YDBNJNMPBMIZJG-HNNXBMFYSA-N 1 1 357.414 2.162 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000424989953 559682315 /nfs/dbraw/zinc/68/23/15/559682315.db2.gz JUKXZSKCSWADDX-UHFFFAOYSA-N 1 1 372.425 2.326 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425548549 559709124 /nfs/dbraw/zinc/70/91/24/559709124.db2.gz NBAPICSUOKJQKO-ZYHUDNBSSA-N 1 1 355.358 2.313 20 5 FEBDMO CC[N@@H+](CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000428012974 559767404 /nfs/dbraw/zinc/76/74/04/559767404.db2.gz WMDZPTWXNXSONH-UHFFFAOYSA-N 1 1 358.398 2.122 20 5 FEBDMO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(N)=O ZINC000428838900 559784435 /nfs/dbraw/zinc/78/44/35/559784435.db2.gz IHLKMSALIMXCOD-DIFFPNOSSA-N 1 1 353.382 2.218 20 5 FEBDMO COCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433193609 559873164 /nfs/dbraw/zinc/87/31/64/559873164.db2.gz RKZNZSUSUMBSCV-HZPDHXFCSA-N 1 1 370.471 2.179 20 5 FEBDMO CC(C)c1ncc(C[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000440473555 560011744 /nfs/dbraw/zinc/01/17/44/560011744.db2.gz XZTSWFLZWVXTOE-MRXNPFEDSA-N 1 1 360.414 2.380 20 5 FEBDMO CC(C)c1ncc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000440473555 560011745 /nfs/dbraw/zinc/01/17/45/560011745.db2.gz XZTSWFLZWVXTOE-MRXNPFEDSA-N 1 1 360.414 2.380 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000441381178 560030695 /nfs/dbraw/zinc/03/06/95/560030695.db2.gz IPKKSQGTTZFDDD-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441642626 560036949 /nfs/dbraw/zinc/03/69/49/560036949.db2.gz HGAVSQZTTNAQME-KGLIPLIRSA-N 1 1 361.398 2.251 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCCCN1CC[NH+](CCO)CC1 ZINC000444839145 560122246 /nfs/dbraw/zinc/12/22/46/560122246.db2.gz XWSFOHUMAZMRDG-UHFFFAOYSA-N 1 1 370.881 2.359 20 5 FEBDMO Cc1cc(C)n2c(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)cnc2n1 ZINC000446839993 560152494 /nfs/dbraw/zinc/15/24/94/560152494.db2.gz WJSCTGZFLXJYIY-UHFFFAOYSA-N 1 1 351.370 2.420 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000446904664 560153318 /nfs/dbraw/zinc/15/33/18/560153318.db2.gz BSOHQTADJHTNRT-OLZOCXBDSA-N 1 1 374.445 2.485 20 5 FEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000447245797 560158662 /nfs/dbraw/zinc/15/86/62/560158662.db2.gz NXJLHUSPZFBOQK-IONNQARKSA-N 1 1 368.242 2.320 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447941472 560174202 /nfs/dbraw/zinc/17/42/02/560174202.db2.gz FMCNPQKOOHVCIG-OAHLLOKOSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447941472 560174203 /nfs/dbraw/zinc/17/42/03/560174203.db2.gz FMCNPQKOOHVCIG-OAHLLOKOSA-N 1 1 371.459 2.002 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000447943566 560174240 /nfs/dbraw/zinc/17/42/40/560174240.db2.gz KGEUXHLXSDXKGX-INIZCTEOSA-N 1 1 369.487 2.177 20 5 FEBDMO O=[N+]([O-])c1ccc2c(ccnc2NC[C@@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000450270097 560256566 /nfs/dbraw/zinc/25/65/66/560256566.db2.gz QGFZXIXVYSIRHT-SFHVURJKSA-N 1 1 374.466 2.763 20 5 FEBDMO CC[C@@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000450310182 560257992 /nfs/dbraw/zinc/25/79/92/560257992.db2.gz CPUTZIRHNOLZLG-ZIAGYGMSSA-N 1 1 374.441 2.433 20 5 FEBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2CCCO)nc1-c1ccccc1 ZINC000450588016 560267147 /nfs/dbraw/zinc/26/71/47/560267147.db2.gz ASOXXHBDFAGFBT-MRXNPFEDSA-N 1 1 356.426 2.916 20 5 FEBDMO CC[C@H](C)[NH+]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000450861345 560275891 /nfs/dbraw/zinc/27/58/91/560275891.db2.gz PSIKCLOZIGKPSM-AWEZNQCLSA-N 1 1 371.441 2.480 20 5 FEBDMO CC1=CC[N@@H+](CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 ZINC000450877033 560276440 /nfs/dbraw/zinc/27/64/40/560276440.db2.gz GZFJDJFRILCYFW-UHFFFAOYSA-N 1 1 355.398 2.367 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000451306169 560299153 /nfs/dbraw/zinc/29/91/53/560299153.db2.gz RNUPDQJICSCBKN-LNSITVRQSA-N 1 1 354.378 2.104 20 5 FEBDMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548015 560313767 /nfs/dbraw/zinc/31/37/67/560313767.db2.gz LYOSBYOHTZSULR-FUHWJXTLSA-N 1 1 374.485 2.327 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451560105 560314692 /nfs/dbraw/zinc/31/46/92/560314692.db2.gz HVENEAWWTMUBRK-MLGOLLRUSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451700965 560323191 /nfs/dbraw/zinc/32/31/91/560323191.db2.gz YZTLGRPMIIZWHH-RBSFLKMASA-N 1 1 350.415 2.465 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C[C@@H]21 ZINC000453029763 560381678 /nfs/dbraw/zinc/38/16/78/560381678.db2.gz HRCDVJCNBAYHDH-QRWLVFNGSA-N 1 1 361.445 2.317 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000454105402 560429740 /nfs/dbraw/zinc/42/97/40/560429740.db2.gz NSRXXLYXAPCPKN-UHFFFAOYSA-N 1 1 362.430 2.141 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454197747 560434108 /nfs/dbraw/zinc/43/41/08/560434108.db2.gz KWRKUIKWWFAKNN-GFCCVEGCSA-N 1 1 356.810 2.217 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000455094915 560469970 /nfs/dbraw/zinc/46/99/70/560469970.db2.gz POTDWDBZNJDKHZ-WMLDXEAASA-N 1 1 364.446 2.312 20 5 FEBDMO CNc1nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455946462 560501556 /nfs/dbraw/zinc/50/15/56/560501556.db2.gz VQPVKKZUGUOUQJ-HNNXBMFYSA-N 1 1 369.425 2.378 20 5 FEBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000456346302 560516380 /nfs/dbraw/zinc/51/63/80/560516380.db2.gz SVCTUPRNJZQNKX-AWEZNQCLSA-N 1 1 371.441 2.474 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000456346302 560516381 /nfs/dbraw/zinc/51/63/81/560516381.db2.gz SVCTUPRNJZQNKX-AWEZNQCLSA-N 1 1 371.441 2.474 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000456346302 560516382 /nfs/dbraw/zinc/51/63/82/560516382.db2.gz SVCTUPRNJZQNKX-AWEZNQCLSA-N 1 1 371.441 2.474 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457899752 560593195 /nfs/dbraw/zinc/59/31/95/560593195.db2.gz KFMMRVGLMYQVEV-OAHLLOKOSA-N 1 1 350.419 2.228 20 5 FEBDMO CCOc1cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000458178273 560607198 /nfs/dbraw/zinc/60/71/98/560607198.db2.gz WPQWIPKYIJCQIX-CYBMUJFWSA-N 1 1 365.430 2.464 20 5 FEBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccsc2)c1[N+](=O)[O-] ZINC000458198316 560608408 /nfs/dbraw/zinc/60/84/08/560608408.db2.gz HNLCVEFJBLCHST-UHFFFAOYSA-N 1 1 351.432 2.146 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464858490 560853724 /nfs/dbraw/zinc/85/37/24/560853724.db2.gz WWJBHZTULRILPL-CJNGLKHVSA-N 1 1 363.414 2.433 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000467799826 560917591 /nfs/dbraw/zinc/91/75/91/560917591.db2.gz QSEDWPKNKKMPGA-CYBMUJFWSA-N 1 1 371.434 2.086 20 5 FEBDMO O=C(NC[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000469848366 560966299 /nfs/dbraw/zinc/96/62/99/560966299.db2.gz IZSGVUVLBMAMAK-GQQIISMTSA-N 1 1 372.469 2.188 20 5 FEBDMO CCOc1ccc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000470083331 560973868 /nfs/dbraw/zinc/97/38/68/560973868.db2.gz VEOJBBFMCISBKV-CQSZACIVSA-N 1 1 365.430 2.224 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470112779 560974491 /nfs/dbraw/zinc/97/44/91/560974491.db2.gz FQDVMIJCMYCQCG-UHFFFAOYSA-N 1 1 367.425 2.224 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470112779 560974492 /nfs/dbraw/zinc/97/44/92/560974492.db2.gz FQDVMIJCMYCQCG-UHFFFAOYSA-N 1 1 367.425 2.224 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000470150026 560975404 /nfs/dbraw/zinc/97/54/04/560975404.db2.gz GBQJHKOBNMRTRV-MLGOLLRUSA-N 1 1 358.398 2.379 20 5 FEBDMO Cn1c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000471382812 561003463 /nfs/dbraw/zinc/00/34/63/561003463.db2.gz IPZFLBLSUSUJSX-IYBDPMFKSA-N 1 1 354.410 2.137 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472362374 561025037 /nfs/dbraw/zinc/02/50/37/561025037.db2.gz VYROELZFXYLMKX-KRWDZBQOSA-N 1 1 362.474 2.205 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000473177380 561043569 /nfs/dbraw/zinc/04/35/69/561043569.db2.gz NFOAMPSGUDZVPL-IINYFYTJSA-N 1 1 365.411 2.315 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000473296032 561046939 /nfs/dbraw/zinc/04/69/39/561046939.db2.gz BEEUNJGLEICUNI-HNNXBMFYSA-N 1 1 374.441 2.032 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000473932595 561061069 /nfs/dbraw/zinc/06/10/69/561061069.db2.gz MDNLUDOPHMUSOC-TZMCWYRMSA-N 1 1 355.460 2.302 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000475570085 561100082 /nfs/dbraw/zinc/10/00/82/561100082.db2.gz DPKBXAYWGXSRET-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475713844 561103022 /nfs/dbraw/zinc/10/30/22/561103022.db2.gz FSEJUDVGHHDGIH-KBPBESRZSA-N 1 1 365.430 2.061 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c2)C[C@H](C)O1 ZINC000477019587 561134445 /nfs/dbraw/zinc/13/44/45/561134445.db2.gz VSMHJKHGRQFBNS-BETUJISGSA-N 1 1 373.413 2.190 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c2)C[C@H](C)O1 ZINC000477019587 561134446 /nfs/dbraw/zinc/13/44/46/561134446.db2.gz VSMHJKHGRQFBNS-BETUJISGSA-N 1 1 373.413 2.190 20 5 FEBDMO CNc1ccc(C(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000532191675 562470368 /nfs/dbraw/zinc/47/03/68/562470368.db2.gz UDRSTZGRNITTJL-JKSUJKDBSA-N 1 1 362.430 2.010 20 5 FEBDMO CC[C@@]1(C)COCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000535566588 562561559 /nfs/dbraw/zinc/56/15/59/562561559.db2.gz KVFRHALYCHZWSD-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908372 562622984 /nfs/dbraw/zinc/62/29/84/562622984.db2.gz KXWWCQZXWRPBBX-HIFRSBDPSA-N 1 1 355.398 2.369 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000181915842 568203835 /nfs/dbraw/zinc/20/38/35/568203835.db2.gz HSHJOQPQTWCEKT-OAHLLOKOSA-N 1 1 350.415 2.370 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000181915842 568203836 /nfs/dbraw/zinc/20/38/36/568203836.db2.gz HSHJOQPQTWCEKT-OAHLLOKOSA-N 1 1 350.415 2.370 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1SC ZINC000570789062 568522403 /nfs/dbraw/zinc/52/24/03/568522403.db2.gz XXDDVAXTCNZXSK-MNOVXSKESA-N 1 1 353.444 2.490 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1SC ZINC000570789062 568522405 /nfs/dbraw/zinc/52/24/05/568522405.db2.gz XXDDVAXTCNZXSK-MNOVXSKESA-N 1 1 353.444 2.490 20 5 FEBDMO CC[N@@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)c1 ZINC000736509697 598498923 /nfs/dbraw/zinc/49/89/23/598498923.db2.gz IVZDNGZMRQFIRO-UHFFFAOYSA-N 1 1 368.401 2.234 20 5 FEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027551 674480000 /nfs/dbraw/zinc/48/00/00/674480000.db2.gz YTMZRYZTVUJWSD-MJVIPROJSA-N 1 1 350.394 2.118 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640023 607470658 /nfs/dbraw/zinc/47/06/58/607470658.db2.gz PPGIBSFZPPNHER-WBMJQRKESA-N 1 1 369.429 2.228 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916388 674519383 /nfs/dbraw/zinc/51/93/83/674519383.db2.gz IPGXRJVUVGERKX-NSHDSACASA-N 1 1 356.810 2.481 20 5 FEBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821000885 606224325 /nfs/dbraw/zinc/22/43/25/606224325.db2.gz KXJSUPHBZCBIBA-GXTWGEPZSA-N 1 1 357.418 2.228 20 5 FEBDMO COc1cc(C(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810851656 674565223 /nfs/dbraw/zinc/56/52/23/674565223.db2.gz MWCZTECTYFJOFJ-NEPJUHHUSA-N 1 1 350.371 2.396 20 5 FEBDMO C[N@@H+]1CC=C(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000561355261 674659534 /nfs/dbraw/zinc/65/95/34/674659534.db2.gz JNHHKICNHNSYPK-UHFFFAOYSA-N 1 1 368.231 2.278 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812326328 674666491 /nfs/dbraw/zinc/66/64/91/674666491.db2.gz UZKZCFGWYXZGPW-MNOVXSKESA-N 1 1 368.231 2.381 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430995 674744580 /nfs/dbraw/zinc/74/45/80/674744580.db2.gz YXHKXLRBUOMMDD-MNOVXSKESA-N 1 1 374.224 2.495 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000813752428 674776967 /nfs/dbraw/zinc/77/69/67/674776967.db2.gz SHIOWNHOHUPTAV-LLVKDONJSA-N 1 1 359.473 2.151 20 5 FEBDMO C[C@@H](CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000563012648 674834617 /nfs/dbraw/zinc/83/46/17/674834617.db2.gz BNKSDSAHAAYLQT-JKSUJKDBSA-N 1 1 351.447 2.189 20 5 FEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000564957304 675081584 /nfs/dbraw/zinc/08/15/84/675081584.db2.gz MSKXJKBGTDMFCC-INIZCTEOSA-N 1 1 364.402 2.492 20 5 FEBDMO Cc1c(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047147817 670235068 /nfs/dbraw/zinc/23/50/68/670235068.db2.gz VUKBCAQQVGSWEV-LLVKDONJSA-N 1 1 350.375 2.273 20 5 FEBDMO CC(C)CN1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000576789888 671394543 /nfs/dbraw/zinc/39/45/43/671394543.db2.gz FPNAYTNMKJKIHX-UHFFFAOYSA-N 1 1 369.487 2.079 20 5 FEBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000119629908 671904118 /nfs/dbraw/zinc/90/41/18/671904118.db2.gz HCIPFKRWUOGLTD-UHFFFAOYSA-N 1 1 361.489 2.399 20 5 FEBDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581571313 671912751 /nfs/dbraw/zinc/91/27/51/671912751.db2.gz IFFCTPDXTVSUNA-AWEZNQCLSA-N 1 1 369.487 2.477 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000120196141 671919230 /nfs/dbraw/zinc/91/92/30/671919230.db2.gz MFCYMJKIVUTSDP-CYBMUJFWSA-N 1 1 373.450 2.380 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610134957 675955888 /nfs/dbraw/zinc/95/58/88/675955888.db2.gz HLLDSCZPVUIBIM-UONOGXRCSA-N 1 1 355.460 2.397 20 5 FEBDMO CCOC(=O)c1ccnc(N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000610133759 675955955 /nfs/dbraw/zinc/95/59/55/675955955.db2.gz TWURPKONSDLKTE-OLZOCXBDSA-N 1 1 350.419 2.476 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000610135306 675956192 /nfs/dbraw/zinc/95/61/92/675956192.db2.gz PLMNXMXWPUCKQE-NEPJUHHUSA-N 1 1 359.423 2.227 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000610135397 675956222 /nfs/dbraw/zinc/95/62/22/675956222.db2.gz RCWVQNIBOYHXMA-UONOGXRCSA-N 1 1 355.460 2.397 20 5 FEBDMO COc1ccc(CSCC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610208723 675959146 /nfs/dbraw/zinc/95/91/46/675959146.db2.gz JJHJJGYOHGDFHU-TZMCWYRMSA-N 1 1 367.471 2.436 20 5 FEBDMO CN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000581967648 671953768 /nfs/dbraw/zinc/95/37/68/671953768.db2.gz AARKVMYNWCCSGV-FOSCPWQOSA-N 1 1 353.369 2.499 20 5 FEBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123003479 671973850 /nfs/dbraw/zinc/97/38/50/671973850.db2.gz SPVYPSFDWBJSNV-KOLCDFICSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123003479 671973853 /nfs/dbraw/zinc/97/38/53/671973853.db2.gz SPVYPSFDWBJSNV-KOLCDFICSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000610272752 675964171 /nfs/dbraw/zinc/96/41/71/675964171.db2.gz JKMNFDHCDYNIRO-SUZMYJTESA-N 1 1 355.341 2.295 20 5 FEBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)OCC[NH+]1CCSCC1 ZINC000127691492 672040303 /nfs/dbraw/zinc/04/03/03/672040303.db2.gz DLYXUCAKCBUGOC-UHFFFAOYSA-N 1 1 353.444 2.379 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000583991870 672145348 /nfs/dbraw/zinc/14/53/48/672145348.db2.gz ANSMDVZIPWHZDD-WMLDXEAASA-N 1 1 368.455 2.260 20 5 FEBDMO CC(C)c1nnc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000584345944 672178806 /nfs/dbraw/zinc/17/88/06/672178806.db2.gz KFYKLVWCIJYVPE-GFCCVEGCSA-N 1 1 352.416 2.099 20 5 FEBDMO C[C@@]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000154614362 672219143 /nfs/dbraw/zinc/21/91/43/672219143.db2.gz LFTURXOPLNKRJP-RDJZCZTQSA-N 1 1 363.801 2.272 20 5 FEBDMO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@H]2C1 ZINC000585798985 672235925 /nfs/dbraw/zinc/23/59/25/672235925.db2.gz VLMUNKOUUQEGMC-KBPBESRZSA-N 1 1 361.423 2.355 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@H]2C1 ZINC000585798985 672235929 /nfs/dbraw/zinc/23/59/29/672235929.db2.gz VLMUNKOUUQEGMC-KBPBESRZSA-N 1 1 361.423 2.355 20 5 FEBDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176221807 672374458 /nfs/dbraw/zinc/37/44/58/672374458.db2.gz ZXTTUEVKHKQPJL-HNNXBMFYSA-N 1 1 351.451 2.200 20 5 FEBDMO COC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000177427939 672382800 /nfs/dbraw/zinc/38/28/00/672382800.db2.gz XISGYNHZRCYNSN-OAHLLOKOSA-N 1 1 355.778 2.072 20 5 FEBDMO COC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000177427939 672382802 /nfs/dbraw/zinc/38/28/02/672382802.db2.gz XISGYNHZRCYNSN-OAHLLOKOSA-N 1 1 355.778 2.072 20 5 FEBDMO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])cc1 ZINC000181026871 672420870 /nfs/dbraw/zinc/42/08/70/672420870.db2.gz FESVHPUNFOELAL-NSHDSACASA-N 1 1 367.402 2.493 20 5 FEBDMO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)NC(=O)NC1=O ZINC000589189090 672512573 /nfs/dbraw/zinc/51/25/73/672512573.db2.gz ZQUYGIBUQOXLQQ-BLLLJJGKSA-N 1 1 366.805 2.201 20 5 FEBDMO C[C@H](O)C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589254470 672517558 /nfs/dbraw/zinc/51/75/58/672517558.db2.gz FPCDYVMVRONVNE-QMMMGPOBSA-N 1 1 350.156 2.012 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590046969 672556720 /nfs/dbraw/zinc/55/67/20/672556720.db2.gz QEUYGKLGAQXGHI-IINYFYTJSA-N 1 1 368.231 2.442 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590441777 672582909 /nfs/dbraw/zinc/58/29/09/672582909.db2.gz DWTBQEMPEBTJDY-RISCZKNCSA-N 1 1 353.806 2.180 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000590447664 672583313 /nfs/dbraw/zinc/58/33/13/672583313.db2.gz ZCRQIEAYFWQJBQ-RNCFNFMXSA-N 1 1 354.204 2.133 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590590864 672593808 /nfs/dbraw/zinc/59/38/08/672593808.db2.gz KFVZTBALPDGPFY-WCQYABFASA-N 1 1 373.450 2.441 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591126 672594083 /nfs/dbraw/zinc/59/40/83/672594083.db2.gz JTSCTMHLRQUKQF-WCQYABFASA-N 1 1 373.450 2.441 20 5 FEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000192586839 672695546 /nfs/dbraw/zinc/69/55/46/672695546.db2.gz WPAJLDIIURZWLG-CABCVRRESA-N 1 1 358.822 2.237 20 5 FEBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000192586839 672695551 /nfs/dbraw/zinc/69/55/51/672695551.db2.gz WPAJLDIIURZWLG-CABCVRRESA-N 1 1 358.822 2.237 20 5 FEBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592184480 672768649 /nfs/dbraw/zinc/76/86/49/672768649.db2.gz MEQUTBGBTVBLBA-AWEZNQCLSA-N 1 1 361.320 2.104 20 5 FEBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592184480 672768652 /nfs/dbraw/zinc/76/86/52/672768652.db2.gz MEQUTBGBTVBLBA-AWEZNQCLSA-N 1 1 361.320 2.104 20 5 FEBDMO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000612051364 676066224 /nfs/dbraw/zinc/06/62/24/676066224.db2.gz NBJHNZZDSNJFDR-ZWNOBZJWSA-N 1 1 373.862 2.176 20 5 FEBDMO C[C@@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000612051364 676066226 /nfs/dbraw/zinc/06/62/26/676066226.db2.gz NBJHNZZDSNJFDR-ZWNOBZJWSA-N 1 1 373.862 2.176 20 5 FEBDMO C[C@H](CCO)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000593107724 672877694 /nfs/dbraw/zinc/87/76/94/672877694.db2.gz HKONMSIRSIDIHB-SECBINFHSA-N 1 1 364.183 2.402 20 5 FEBDMO COCCOCC[NH+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000593118178 672878605 /nfs/dbraw/zinc/87/86/05/672878605.db2.gz SMCDFBXYBMXVMA-INIZCTEOSA-N 1 1 351.447 2.245 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595498775 673258500 /nfs/dbraw/zinc/25/85/00/673258500.db2.gz AYGNVUHSJFULFL-CYBMUJFWSA-N 1 1 350.419 2.146 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H](C)C[N@@H+](C)C(C)C ZINC000596237422 673370999 /nfs/dbraw/zinc/37/09/99/673370999.db2.gz XIWSPRUJOPTDBF-CYBMUJFWSA-N 1 1 372.491 2.424 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000596288836 673374498 /nfs/dbraw/zinc/37/44/98/673374498.db2.gz HMRVTYLZJSOMOB-UHFFFAOYSA-N 1 1 352.435 2.393 20 5 FEBDMO CC(C)C[C@H](N[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000537446223 673390045 /nfs/dbraw/zinc/39/00/45/673390045.db2.gz QIZHVPCAYGEEAY-PBHICJAKSA-N 1 1 350.463 2.338 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC=CCC2)cc1SC ZINC000539926215 673513658 /nfs/dbraw/zinc/51/36/58/673513658.db2.gz UQAKODCISXCFLY-UHFFFAOYSA-N 1 1 351.428 2.317 20 5 FEBDMO NS(=O)(=O)c1cccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599127984 673635330 /nfs/dbraw/zinc/63/53/30/673635330.db2.gz SZECFNNZJABKGZ-ZDUSSCGKSA-N 1 1 368.459 2.061 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000740894709 673660057 /nfs/dbraw/zinc/66/00/57/673660057.db2.gz VSHLHQCEXPCIAZ-RYUDHWBXSA-N 1 1 359.423 2.227 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000599464947 673678918 /nfs/dbraw/zinc/67/89/18/673678918.db2.gz XXOQYGHMVYMGLF-INIZCTEOSA-N 1 1 353.444 2.031 20 5 FEBDMO COC(=O)[C@]1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000599564747 673692273 /nfs/dbraw/zinc/69/22/73/673692273.db2.gz WGLVIOHSRIAPPX-KRWDZBQOSA-N 1 1 352.387 2.146 20 5 FEBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000599564747 673692274 /nfs/dbraw/zinc/69/22/74/673692274.db2.gz WGLVIOHSRIAPPX-KRWDZBQOSA-N 1 1 352.387 2.146 20 5 FEBDMO COC(=O)CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000743871891 673774444 /nfs/dbraw/zinc/77/44/44/673774444.db2.gz AMBHLCLNDJBYBB-UHFFFAOYSA-N 1 1 352.387 2.148 20 5 FEBDMO CCOc1cc(C(=O)NCC[N@H+]2CCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000744344801 673794156 /nfs/dbraw/zinc/79/41/56/673794156.db2.gz FWTGLKQAAGZHBT-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602643811 673909240 /nfs/dbraw/zinc/90/92/40/673909240.db2.gz LGHQKQSROAWCIB-ZETCQYMHSA-N 1 1 350.238 2.375 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000602768324 673910611 /nfs/dbraw/zinc/91/06/11/673910611.db2.gz MWAAGPQSPVJTNZ-UHFFFAOYSA-N 1 1 363.443 2.009 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000602768324 673910615 /nfs/dbraw/zinc/91/06/15/673910615.db2.gz MWAAGPQSPVJTNZ-UHFFFAOYSA-N 1 1 363.443 2.009 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000602917631 673913871 /nfs/dbraw/zinc/91/38/71/673913871.db2.gz SQVKUOMSPNXNPL-JSGCOSHPSA-N 1 1 352.435 2.399 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000822757432 675504852 /nfs/dbraw/zinc/50/48/52/675504852.db2.gz AKVOGWPPXQBSTP-UHFFFAOYSA-N 1 1 354.794 2.031 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000823240879 675538576 /nfs/dbraw/zinc/53/85/76/675538576.db2.gz IIROGCNLVOJSTP-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000825756323 675667557 /nfs/dbraw/zinc/66/75/57/675667557.db2.gz PEUYATXIPHXELJ-ZBFHGGJFSA-N 1 1 367.833 2.228 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000828248449 675809275 /nfs/dbraw/zinc/80/92/75/675809275.db2.gz GRQJOOAOTCVIAA-NXEZZACHSA-N 1 1 368.821 2.371 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000828248449 675809278 /nfs/dbraw/zinc/80/92/78/675809278.db2.gz GRQJOOAOTCVIAA-NXEZZACHSA-N 1 1 368.821 2.371 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000619482525 676379904 /nfs/dbraw/zinc/37/99/04/676379904.db2.gz NBBIPZYNKHFEIS-BETUJISGSA-N 1 1 371.459 2.145 20 5 FEBDMO CCOC(=O)CC(C)(C)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000838840835 680721879 /nfs/dbraw/zinc/72/18/79/680721879.db2.gz MZOCUXYFCDEQPG-CYBMUJFWSA-N 1 1 350.419 2.455 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000765208184 680835589 /nfs/dbraw/zinc/83/55/89/680835589.db2.gz KTJWPLYJNNAIED-ZWNOBZJWSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000765208184 680835590 /nfs/dbraw/zinc/83/55/90/680835590.db2.gz KTJWPLYJNNAIED-ZWNOBZJWSA-N 1 1 373.862 2.318 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749911977 680085980 /nfs/dbraw/zinc/08/59/80/680085980.db2.gz RESVAXUXSVYCBG-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000750889190 680138211 /nfs/dbraw/zinc/13/82/11/680138211.db2.gz AFVHAFWTJAYDRR-UHFFFAOYSA-N 1 1 373.203 2.236 20 5 FEBDMO CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC000832742581 680171526 /nfs/dbraw/zinc/17/15/26/680171526.db2.gz KPOPMZVSDFXYOQ-GFCCVEGCSA-N 1 1 368.821 2.129 20 5 FEBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063953 680193528 /nfs/dbraw/zinc/19/35/28/680193528.db2.gz QNLGHQXWOXSMIX-GFQSEFKGSA-N 1 1 357.332 2.107 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000752246573 680231718 /nfs/dbraw/zinc/23/17/18/680231718.db2.gz GVRBDSIDRCDMHA-LBPRGKRZSA-N 1 1 373.862 2.319 20 5 FEBDMO O=C(NCc1ccc(C[NH2+]CC2CC(F)(F)C2)cc1)[C@@H]1CC1[N+](=O)[O-] ZINC001034817037 680440203 /nfs/dbraw/zinc/44/02/03/680440203.db2.gz YKMPYRQVOQTANA-HUUCEWRRSA-N 1 1 353.369 2.103 20 5 FEBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836600795 680487892 /nfs/dbraw/zinc/48/78/92/680487892.db2.gz ZQLKVQMQJXLANF-LLVKDONJSA-N 1 1 356.810 2.217 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756942234 680506187 /nfs/dbraw/zinc/50/61/87/680506187.db2.gz BNMBGBJUHCZHTK-CQSZACIVSA-N 1 1 370.837 2.158 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000841706739 680908385 /nfs/dbraw/zinc/90/83/85/680908385.db2.gz IHDOSFCFGAJNFR-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C[N@H+]1CCO ZINC000841706739 680908386 /nfs/dbraw/zinc/90/83/86/680908386.db2.gz IHDOSFCFGAJNFR-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO CC[NH2+]Cc1noc(-c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)n1 ZINC000843142819 680989680 /nfs/dbraw/zinc/98/96/80/680989680.db2.gz LKQIKLUDMKHDFN-UHFFFAOYSA-N 1 1 361.387 2.034 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000772156644 681088079 /nfs/dbraw/zinc/08/80/79/681088079.db2.gz SDYDITLJCUWUES-CHWSQXEVSA-N 1 1 353.806 2.150 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000845155807 681107596 /nfs/dbraw/zinc/10/75/96/681107596.db2.gz SMRMSCISVARMSI-TXEJJXNPSA-N 1 1 350.371 2.297 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000845155807 681107599 /nfs/dbraw/zinc/10/75/99/681107599.db2.gz SMRMSCISVARMSI-TXEJJXNPSA-N 1 1 350.371 2.297 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])n1C ZINC000932680687 681285731 /nfs/dbraw/zinc/28/57/31/681285731.db2.gz UBOPEVQQYBAENA-UHFFFAOYSA-N 1 1 365.821 2.297 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000933433189 681410891 /nfs/dbraw/zinc/41/08/91/681410891.db2.gz CHBPMYMSGBWAMX-KWQFWETISA-N 1 1 358.801 2.382 20 5 FEBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000913427181 685477084 /nfs/dbraw/zinc/47/70/84/685477084.db2.gz DHNATVQBNNHXIV-ZDUSSCGKSA-N 1 1 369.849 2.142 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000935542686 681771547 /nfs/dbraw/zinc/77/15/47/681771547.db2.gz GMICDKZRPJMBRS-GFCCVEGCSA-N 1 1 367.471 2.234 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000935542686 681771554 /nfs/dbraw/zinc/77/15/54/681771554.db2.gz GMICDKZRPJMBRS-GFCCVEGCSA-N 1 1 367.471 2.234 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850364217 681891768 /nfs/dbraw/zinc/89/17/68/681891768.db2.gz UVOCWIHMDORTHG-UHFFFAOYSA-N 1 1 370.349 2.060 20 5 FEBDMO CC[N@H+](Cc1csc(C)n1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713050 681918582 /nfs/dbraw/zinc/91/85/82/681918582.db2.gz JCMBNOMMDIQMIG-HZPDHXFCSA-N 1 1 366.487 2.177 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000918194036 685537904 /nfs/dbraw/zinc/53/79/04/685537904.db2.gz QJUFPXYBGNCKRG-RYUDHWBXSA-N 1 1 359.423 2.275 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+](CC)C(C)C ZINC000853253676 682399441 /nfs/dbraw/zinc/39/94/41/682399441.db2.gz QOYQXSQQCHTZEZ-UHFFFAOYSA-N 1 1 372.491 2.425 20 5 FEBDMO CC(C)[C@H](C(=O)O[C@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000787961542 682493868 /nfs/dbraw/zinc/49/38/68/682493868.db2.gz MADGHFSCRXPIBV-QMTHXVAHSA-N 1 1 355.366 2.190 20 5 FEBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000854183678 682522218 /nfs/dbraw/zinc/52/22/18/682522218.db2.gz AQOOQIQIXGUADF-CYBMUJFWSA-N 1 1 368.821 2.311 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000854643864 682574497 /nfs/dbraw/zinc/57/44/97/682574497.db2.gz ZJDMWAVLHSNAOO-ZBFHGGJFSA-N 1 1 367.833 2.492 20 5 FEBDMO CC(C)N1CC[NH+](CCCOC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000791794381 682766494 /nfs/dbraw/zinc/76/64/94/682766494.db2.gz LTKSRWHUMKOZLS-UHFFFAOYSA-N 1 1 353.394 2.307 20 5 FEBDMO C[N@H+]1CCCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859364740 683094429 /nfs/dbraw/zinc/09/44/29/683094429.db2.gz PYFUYBTYIXPYIK-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859364740 683094430 /nfs/dbraw/zinc/09/44/30/683094430.db2.gz PYFUYBTYIXPYIK-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859364740 683094433 /nfs/dbraw/zinc/09/44/33/683094433.db2.gz PYFUYBTYIXPYIK-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000796294763 683150714 /nfs/dbraw/zinc/15/07/14/683150714.db2.gz NIHSFPFTQVITFT-AWEZNQCLSA-N 1 1 362.304 2.401 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796294955 683150797 /nfs/dbraw/zinc/15/07/97/683150797.db2.gz SOEBUAAYZVLFFN-TZMCWYRMSA-N 1 1 362.304 2.056 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796294955 683150804 /nfs/dbraw/zinc/15/08/04/683150804.db2.gz SOEBUAAYZVLFFN-TZMCWYRMSA-N 1 1 362.304 2.056 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000920597780 683354458 /nfs/dbraw/zinc/35/44/58/683354458.db2.gz AMVDPTMFDAKZAM-GOEBONIOSA-N 1 1 364.471 2.016 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000861038098 683335961 /nfs/dbraw/zinc/33/59/61/683335961.db2.gz XBJDJSZZYSSVDP-NSHDSACASA-N 1 1 356.350 2.010 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928075503 683369700 /nfs/dbraw/zinc/36/97/00/683369700.db2.gz DFHYSMVIJBISSX-YVSFHVDLSA-N 1 1 361.467 2.394 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928098043 683388486 /nfs/dbraw/zinc/38/84/86/683388486.db2.gz GRAAZIBMQZAMEK-GJZGRUSLSA-N 1 1 367.496 2.383 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928098043 683388492 /nfs/dbraw/zinc/38/84/92/683388492.db2.gz GRAAZIBMQZAMEK-GJZGRUSLSA-N 1 1 367.496 2.383 20 5 FEBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000861339750 683391297 /nfs/dbraw/zinc/39/12/97/683391297.db2.gz BYMCWVNKKMKPIP-XJKSGUPXSA-N 1 1 354.428 2.339 20 5 FEBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342955 683391934 /nfs/dbraw/zinc/39/19/34/683391934.db2.gz FQCPLQKAGJZDHP-CXAGYDPISA-N 1 1 351.403 2.049 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000866972197 684189535 /nfs/dbraw/zinc/18/95/35/684189535.db2.gz NQKLZRBUKMBBBK-GXTWGEPZSA-N 1 1 371.434 2.147 20 5 FEBDMO C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1(C)C ZINC000867681849 684351377 /nfs/dbraw/zinc/35/13/77/684351377.db2.gz PCEQBULTFLTJNO-UHFFFAOYSA-N 1 1 361.851 2.353 20 5 FEBDMO C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1(C)C ZINC000867681849 684351383 /nfs/dbraw/zinc/35/13/83/684351383.db2.gz PCEQBULTFLTJNO-UHFFFAOYSA-N 1 1 361.851 2.353 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000925763243 684583657 /nfs/dbraw/zinc/58/36/57/684583657.db2.gz RDNDAVUQAMZWTF-GJZGRUSLSA-N 1 1 370.247 2.214 20 5 FEBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925777418 684584629 /nfs/dbraw/zinc/58/46/29/684584629.db2.gz DMHYQUUUFKQGQE-RYUDHWBXSA-N 1 1 356.373 2.146 20 5 FEBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925777418 684584634 /nfs/dbraw/zinc/58/46/34/684584634.db2.gz DMHYQUUUFKQGQE-RYUDHWBXSA-N 1 1 356.373 2.146 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872665576 685001304 /nfs/dbraw/zinc/00/13/04/685001304.db2.gz QVDYEELIHJSLEE-LSDHHAIUSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872665576 685001305 /nfs/dbraw/zinc/00/13/05/685001305.db2.gz QVDYEELIHJSLEE-LSDHHAIUSA-N 1 1 353.444 2.014 20 5 FEBDMO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1 ZINC000880073325 686993777 /nfs/dbraw/zinc/99/37/77/686993777.db2.gz ZXPCAXUOFUJHFS-UONOGXRCSA-N 1 1 359.348 2.255 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134444 687004016 /nfs/dbraw/zinc/00/40/16/687004016.db2.gz MVJXRFHZWZTOOH-LSDHHAIUSA-N 1 1 352.822 2.355 20 5 FEBDMO C[N@@H+](CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC000881865089 687238512 /nfs/dbraw/zinc/23/85/12/687238512.db2.gz LLYODCAOIITEDB-UHFFFAOYSA-N 1 1 356.220 2.458 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884949577 687971600 /nfs/dbraw/zinc/97/16/00/687971600.db2.gz GTLNJZVOMGSCPG-KGLIPLIRSA-N 1 1 353.444 2.062 20 5 FEBDMO C[C@@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895250052 689684504 /nfs/dbraw/zinc/68/45/04/689684504.db2.gz ZWBVSHQCFMSFQU-BDJLRTHQSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895250052 689684509 /nfs/dbraw/zinc/68/45/09/689684509.db2.gz ZWBVSHQCFMSFQU-BDJLRTHQSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895250052 689684512 /nfs/dbraw/zinc/68/45/12/689684512.db2.gz ZWBVSHQCFMSFQU-BDJLRTHQSA-N 1 1 363.849 2.265 20 5 FEBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])[C@@]12CC[N@@H+](C1)CCC2 ZINC000899213529 690320400 /nfs/dbraw/zinc/32/04/00/690320400.db2.gz GARPZJNPSFGMSB-HNNXBMFYSA-N 1 1 368.231 2.459 20 5 FEBDMO O=C(NCCCCC[NH+]1CCNCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000900473428 690521197 /nfs/dbraw/zinc/52/11/97/690521197.db2.gz SLDNETWQCZLGDT-UHFFFAOYSA-N 1 1 369.853 2.445 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000907063911 691384594 /nfs/dbraw/zinc/38/45/94/691384594.db2.gz DRHBWOYJGXTVNI-GWCFXTLKSA-N 1 1 352.822 2.387 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902112 721520444 /nfs/dbraw/zinc/52/04/44/721520444.db2.gz ZGLLPAZGMFXANQ-HOCLYGCPSA-N 1 1 358.373 2.471 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932684 721860938 /nfs/dbraw/zinc/86/09/38/721860938.db2.gz ZLEPRCGLUVIEIM-HZPDHXFCSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932684 721860939 /nfs/dbraw/zinc/86/09/39/721860939.db2.gz ZLEPRCGLUVIEIM-HZPDHXFCSA-N 1 1 355.442 2.358 20 5 FEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926902 721871756 /nfs/dbraw/zinc/87/17/56/721871756.db2.gz SPIFUNOOEJXMIV-SJORKVTESA-N 1 1 355.442 2.358 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926902 721871758 /nfs/dbraw/zinc/87/17/58/721871758.db2.gz SPIFUNOOEJXMIV-SJORKVTESA-N 1 1 355.442 2.358 20 5 FEBDMO O=[N+]([O-])c1ccc2ccnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2c1 ZINC001164966616 722074586 /nfs/dbraw/zinc/07/45/86/722074586.db2.gz DPCIRHSUMCESSL-CALCHBBNSA-N 1 1 354.410 2.442 20 5 FEBDMO Cc1c(Br)c(NC[C@H](C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000514852832 816013591 /nfs/dbraw/zinc/01/35/91/816013591.db2.gz VTEAJDHIENRRPN-JTQLQIEISA-N 1 1 373.251 2.441 20 5 FEBDMO NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000027547277 539809064 /nfs/dbraw/zinc/80/90/64/539809064.db2.gz HYZHOIKUDPUCTK-UHFFFAOYSA-N 1 1 371.393 2.339 20 5 FEBDMO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000027547277 539809067 /nfs/dbraw/zinc/80/90/67/539809067.db2.gz HYZHOIKUDPUCTK-UHFFFAOYSA-N 1 1 371.393 2.339 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032440945 539939415 /nfs/dbraw/zinc/93/94/15/539939415.db2.gz YFXKMVVJWSVZLN-KBPBESRZSA-N 1 1 355.460 2.444 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041664470 540029521 /nfs/dbraw/zinc/02/95/21/540029521.db2.gz VZWNXKVUVGHMPP-NSHDSACASA-N 1 1 368.821 2.177 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041786028 540033200 /nfs/dbraw/zinc/03/32/00/540033200.db2.gz LHTFUIHZXHGDIE-AWEZNQCLSA-N 1 1 362.430 2.304 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCCC[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000041927991 540040394 /nfs/dbraw/zinc/04/03/94/540040394.db2.gz RBSHBPFXWOUTRB-UHFFFAOYSA-N 1 1 351.403 2.232 20 5 FEBDMO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000043893430 540114697 /nfs/dbraw/zinc/11/46/97/540114697.db2.gz PNIVWPGEZWNRKA-CABCVRRESA-N 1 1 363.462 2.426 20 5 FEBDMO Cc1nn(C)c(NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000052101348 540454471 /nfs/dbraw/zinc/45/44/71/540454471.db2.gz SQEZIPJRXQLOQE-AWEZNQCLSA-N 1 1 358.446 2.259 20 5 FEBDMO Cc1nn(C)c(NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000052101347 540454481 /nfs/dbraw/zinc/45/44/81/540454481.db2.gz SQEZIPJRXQLOQE-CQSZACIVSA-N 1 1 358.446 2.259 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000053699326 540550374 /nfs/dbraw/zinc/55/03/74/540550374.db2.gz NJUUIDWNOUPJBB-ZDUSSCGKSA-N 1 1 355.460 2.384 20 5 FEBDMO CCCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000068185670 541559171 /nfs/dbraw/zinc/55/91/71/541559171.db2.gz BSADXAXIYROSST-AWEZNQCLSA-N 1 1 357.414 2.275 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000068359707 541581911 /nfs/dbraw/zinc/58/19/11/541581911.db2.gz SWRVPBOIBSEOLX-CYBMUJFWSA-N 1 1 368.397 2.352 20 5 FEBDMO COc1cc(OCC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000068882475 541636382 /nfs/dbraw/zinc/63/63/82/541636382.db2.gz WWCBLXYEEOCTCZ-UONOGXRCSA-N 1 1 365.430 2.219 20 5 FEBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000068905599 541639041 /nfs/dbraw/zinc/63/90/41/541639041.db2.gz SHHRJWDIPSKUAT-UHFFFAOYSA-N 1 1 363.439 2.493 20 5 FEBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC[NH+]1Cc2ccccc2C1 ZINC000069087579 541656436 /nfs/dbraw/zinc/65/64/36/541656436.db2.gz AHVJWOBWOVIPGT-UHFFFAOYSA-N 1 1 370.409 2.289 20 5 FEBDMO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072665264 541847415 /nfs/dbraw/zinc/84/74/15/541847415.db2.gz BQJNTZSBHOGNDS-ZFWWWQNUSA-N 1 1 373.457 2.266 20 5 FEBDMO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072665264 541847418 /nfs/dbraw/zinc/84/74/18/541847418.db2.gz BQJNTZSBHOGNDS-ZFWWWQNUSA-N 1 1 373.457 2.266 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000072716348 541856138 /nfs/dbraw/zinc/85/61/38/541856138.db2.gz KXAGQSDUKBKMKF-ZDUSSCGKSA-N 1 1 371.434 2.086 20 5 FEBDMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000075750887 542203007 /nfs/dbraw/zinc/20/30/07/542203007.db2.gz VUKUAHHSVFQTHP-UNEWFSDZSA-N 1 1 360.414 2.039 20 5 FEBDMO CCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076403915 542275108 /nfs/dbraw/zinc/27/51/08/542275108.db2.gz MGTZWUPXPFPDLP-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000077977191 542434931 /nfs/dbraw/zinc/43/49/31/542434931.db2.gz AHMMOOWFSZSSPD-SFHVURJKSA-N 1 1 369.425 2.183 20 5 FEBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000077977191 542434933 /nfs/dbraw/zinc/43/49/33/542434933.db2.gz AHMMOOWFSZSSPD-SFHVURJKSA-N 1 1 369.425 2.183 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079893466 542548922 /nfs/dbraw/zinc/54/89/22/542548922.db2.gz NKPPRURRHQURAW-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CC[NH+](C2CC2)CC1 ZINC000124881032 132249429 /nfs/dbraw/zinc/24/94/29/132249429.db2.gz FSVLLJYXMIGSAX-UHFFFAOYSA-N 1 1 358.442 2.118 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000088700221 542755841 /nfs/dbraw/zinc/75/58/41/542755841.db2.gz LQXYMILTVBVPRB-UHFFFAOYSA-N 1 1 356.430 2.317 20 5 FEBDMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089682051 542768746 /nfs/dbraw/zinc/76/87/46/542768746.db2.gz UABNMCQRFCLOLC-MSOLQXFVSA-N 1 1 370.409 2.352 20 5 FEBDMO Cn1cc(C[N@H+]2CCCC[C@H]2CC(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092588316 542873606 /nfs/dbraw/zinc/87/36/06/542873606.db2.gz PRBKNCVDAJCDLG-INIZCTEOSA-N 1 1 357.414 2.225 20 5 FEBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106521584 543233080 /nfs/dbraw/zinc/23/30/80/543233080.db2.gz VEOUNGJLJCEEEV-CQSZACIVSA-N 1 1 361.446 2.323 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c(F)c1 ZINC000106891623 543253159 /nfs/dbraw/zinc/25/31/59/543253159.db2.gz OVNGKHHEWZZPKE-LLVKDONJSA-N 1 1 357.407 2.029 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000113230546 543478439 /nfs/dbraw/zinc/47/84/39/543478439.db2.gz JPKKHZYVPFQLBW-QWHCGFSZSA-N 1 1 363.414 2.311 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000114381151 543512473 /nfs/dbraw/zinc/51/24/73/543512473.db2.gz HNRYXCDOOHIFKD-UHFFFAOYSA-N 1 1 373.457 2.080 20 5 FEBDMO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCN1CCOCC1 ZINC000114464200 543518783 /nfs/dbraw/zinc/51/87/83/543518783.db2.gz WIMSSLBHBWLYSN-UHFFFAOYSA-N 1 1 360.414 2.056 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](CC)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000114726724 543532837 /nfs/dbraw/zinc/53/28/37/543532837.db2.gz NMLQEXNIUKKTTP-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)C[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000114726724 543532840 /nfs/dbraw/zinc/53/28/40/543532840.db2.gz NMLQEXNIUKKTTP-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118113717 543645435 /nfs/dbraw/zinc/64/54/35/543645435.db2.gz OQBWTMBRQRSMCG-INIZCTEOSA-N 1 1 362.430 2.304 20 5 FEBDMO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000119428942 543666994 /nfs/dbraw/zinc/66/69/94/543666994.db2.gz XOOAAKRTAOADQD-CZUORRHYSA-N 1 1 361.446 2.002 20 5 FEBDMO Cn1cc(C[N@@H+](C)[C@@H]2CCCCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123825939 543785724 /nfs/dbraw/zinc/78/57/24/543785724.db2.gz CRMTVMMCCIFEFW-MRXNPFEDSA-N 1 1 357.414 2.096 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000124315047 543813174 /nfs/dbraw/zinc/81/31/74/543813174.db2.gz RNSQMQAKDXVYEW-LBPRGKRZSA-N 1 1 371.846 2.191 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000123984668 543794777 /nfs/dbraw/zinc/79/47/77/543794777.db2.gz FWTQTGIYXVJOSE-AAEUAGOBSA-N 1 1 353.444 2.061 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000123984668 543794780 /nfs/dbraw/zinc/79/47/80/543794780.db2.gz FWTQTGIYXVJOSE-AAEUAGOBSA-N 1 1 353.444 2.061 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000124291714 543811868 /nfs/dbraw/zinc/81/18/68/543811868.db2.gz RTTVYBUJXRICLX-CQSZACIVSA-N 1 1 357.414 2.065 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CO)c1cccc(Br)c1 ZINC000125698885 543896861 /nfs/dbraw/zinc/89/68/61/543896861.db2.gz AWDJKYKENQAAOV-CQSZACIVSA-N 1 1 369.219 2.219 20 5 FEBDMO O=C(NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000126877829 543960989 /nfs/dbraw/zinc/96/09/89/543960989.db2.gz WTCBRGZCEIIFII-ZIAGYGMSSA-N 1 1 361.423 2.022 20 5 FEBDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000126877829 543960992 /nfs/dbraw/zinc/96/09/92/543960992.db2.gz WTCBRGZCEIIFII-ZIAGYGMSSA-N 1 1 361.423 2.022 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000127980686 544025254 /nfs/dbraw/zinc/02/52/54/544025254.db2.gz JFHXDEHLOIRDOW-ZDUSSCGKSA-N 1 1 372.381 2.137 20 5 FEBDMO C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128116000 544033658 /nfs/dbraw/zinc/03/36/58/544033658.db2.gz SHXGJYGLRSLRPK-LBPRGKRZSA-N 1 1 374.363 2.492 20 5 FEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128116000 544033659 /nfs/dbraw/zinc/03/36/59/544033659.db2.gz SHXGJYGLRSLRPK-LBPRGKRZSA-N 1 1 374.363 2.492 20 5 FEBDMO COc1cc(C[N@H+](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130781798 544164339 /nfs/dbraw/zinc/16/43/39/544164339.db2.gz AENNHNLXPLVMGO-VIFPVBQESA-N 1 1 352.309 2.357 20 5 FEBDMO COc1cc(C[N@@H+](C)C[C@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130781798 544164341 /nfs/dbraw/zinc/16/43/41/544164341.db2.gz AENNHNLXPLVMGO-VIFPVBQESA-N 1 1 352.309 2.357 20 5 FEBDMO COc1cc(OC)cc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)c1 ZINC000132512739 544233901 /nfs/dbraw/zinc/23/39/01/544233901.db2.gz RERRAQKNJMRTNI-AWEZNQCLSA-N 1 1 373.409 2.263 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000134678472 544317801 /nfs/dbraw/zinc/31/78/01/544317801.db2.gz NQPAUKNCNCFVEL-OAHLLOKOSA-N 1 1 372.469 2.433 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000134913969 544326961 /nfs/dbraw/zinc/32/69/61/544326961.db2.gz GZQVPKQFSQVAIT-ZBFHGGJFSA-N 1 1 371.441 2.306 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1CCCC1 ZINC000136944975 544381533 /nfs/dbraw/zinc/38/15/33/544381533.db2.gz JKQUEMWQXJTGLO-UHFFFAOYSA-N 1 1 367.471 2.283 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1(O)CCCC1 ZINC000152268762 544631452 /nfs/dbraw/zinc/63/14/52/544631452.db2.gz DHMKWJVVRQLHBI-UHFFFAOYSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1ccc(CSCC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153582874 544793893 /nfs/dbraw/zinc/79/38/93/544793893.db2.gz OTBLJUTUYUAYPJ-CQSZACIVSA-N 1 1 367.471 2.389 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000154694860 544937588 /nfs/dbraw/zinc/93/75/88/544937588.db2.gz WEDGPBWCULNXSF-CJNGLKHVSA-N 1 1 355.460 2.087 20 5 FEBDMO COc1ccc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000189150774 328131357 /nfs/dbraw/zinc/13/13/57/328131357.db2.gz KDGZULDMNVQOPX-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000190031819 328183707 /nfs/dbraw/zinc/18/37/07/328183707.db2.gz IGFPTTCVZNUTSG-CYBMUJFWSA-N 1 1 350.419 2.212 20 5 FEBDMO COc1ccnc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC ZINC000190878532 328238014 /nfs/dbraw/zinc/23/80/14/328238014.db2.gz RIHKKOGQTNLBRL-GFCCVEGCSA-N 1 1 359.386 2.088 20 5 FEBDMO COc1ccnc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC ZINC000190878532 328238016 /nfs/dbraw/zinc/23/80/16/328238016.db2.gz RIHKKOGQTNLBRL-GFCCVEGCSA-N 1 1 359.386 2.088 20 5 FEBDMO COC(=O)[C@@H](C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCC1 ZINC000192386856 328317240 /nfs/dbraw/zinc/31/72/40/328317240.db2.gz IXWKMOODCBGNGL-LLVKDONJSA-N 1 1 367.377 2.479 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CCO1 ZINC000193772370 328394332 /nfs/dbraw/zinc/39/43/32/328394332.db2.gz XEAULKFTNPWRTG-CYBMUJFWSA-N 1 1 364.402 2.188 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000077708020 325006549 /nfs/dbraw/zinc/00/65/49/325006549.db2.gz WVPDIRSDHOHIQJ-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000081363119 325171914 /nfs/dbraw/zinc/17/19/14/325171914.db2.gz LHKFPXGPGDKKMA-LBPRGKRZSA-N 1 1 350.375 2.307 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000090464901 325360217 /nfs/dbraw/zinc/36/02/17/325360217.db2.gz AVLOTRGUHSCNMB-CVEARBPZSA-N 1 1 374.441 2.152 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000090464901 325360219 /nfs/dbraw/zinc/36/02/19/325360219.db2.gz AVLOTRGUHSCNMB-CVEARBPZSA-N 1 1 374.441 2.152 20 5 FEBDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090515944 325361789 /nfs/dbraw/zinc/36/17/89/325361789.db2.gz GZQIVJQQRVCIGS-AWEZNQCLSA-N 1 1 368.397 2.030 20 5 FEBDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551502 325362939 /nfs/dbraw/zinc/36/29/39/325362939.db2.gz QMWWXTLJJBJKNE-YMXBGEKHSA-N 1 1 363.439 2.187 20 5 FEBDMO C[NH+]1CCN([C@H]2CCCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000091689204 325390016 /nfs/dbraw/zinc/39/00/16/325390016.db2.gz BCPAWCWQRBGIMF-VQFGERMISA-N 1 1 372.469 2.237 20 5 FEBDMO CCN(C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000093320578 325442981 /nfs/dbraw/zinc/44/29/81/325442981.db2.gz VWVSUAPJGNDPNN-SOFGYWHQSA-N 1 1 367.471 2.354 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000111417100 325719423 /nfs/dbraw/zinc/71/94/23/325719423.db2.gz HAXJCCQUBRWAPO-UHFFFAOYSA-N 1 1 356.810 2.434 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000119705823 326189686 /nfs/dbraw/zinc/18/96/86/326189686.db2.gz CHKFJUNBZOJWPC-CJNGLKHVSA-N 1 1 362.430 2.030 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1C ZINC000121455219 326339646 /nfs/dbraw/zinc/33/96/46/326339646.db2.gz BRTLVZGQNFSXRG-YPMHNXCESA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1C ZINC000121455219 326339648 /nfs/dbraw/zinc/33/96/48/326339648.db2.gz BRTLVZGQNFSXRG-YPMHNXCESA-N 1 1 353.444 2.115 20 5 FEBDMO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153674118 326739412 /nfs/dbraw/zinc/73/94/12/326739412.db2.gz DLZYZZWKQQRBMN-GJZGRUSLSA-N 1 1 350.463 2.280 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000163567458 327054244 /nfs/dbraw/zinc/05/42/44/327054244.db2.gz RUMGRZMJYQSVLX-MRXNPFEDSA-N 1 1 365.478 2.282 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000163612788 327055128 /nfs/dbraw/zinc/05/51/28/327055128.db2.gz GPWUFZHDHALEOS-ZBFHGGJFSA-N 1 1 369.487 2.129 20 5 FEBDMO Cc1c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164140335 327065195 /nfs/dbraw/zinc/06/51/95/327065195.db2.gz CFYAMMMPWUHJFW-IUODEOHRSA-N 1 1 362.386 2.368 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[N@H+](C2CC2)CC1 ZINC000172348163 327197156 /nfs/dbraw/zinc/19/71/56/327197156.db2.gz KCHHMPCDVGGLHT-ZDUSSCGKSA-N 1 1 362.430 2.101 20 5 FEBDMO Cc1c(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000173282706 327246764 /nfs/dbraw/zinc/24/67/64/327246764.db2.gz LBCSGHNZXHADBY-LSDHHAIUSA-N 1 1 374.441 2.315 20 5 FEBDMO C[NH+]1CCN([C@H]2CCCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000173295190 327248067 /nfs/dbraw/zinc/24/80/67/327248067.db2.gz UZTLRQJBCXIIKC-BBVFFXRHSA-N 1 1 372.469 2.237 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000173593042 327269247 /nfs/dbraw/zinc/26/92/47/327269247.db2.gz DLBNYJTYVBZROL-CQSZACIVSA-N 1 1 359.430 2.127 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000173829701 327287363 /nfs/dbraw/zinc/28/73/63/327287363.db2.gz LAOXYFNAQLSEKK-LSDHHAIUSA-N 1 1 367.471 2.459 20 5 FEBDMO C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174743557 327347691 /nfs/dbraw/zinc/34/76/91/327347691.db2.gz QNEDJWOUIKJZDF-OAHLLOKOSA-N 1 1 368.821 2.207 20 5 FEBDMO Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000174882679 327358074 /nfs/dbraw/zinc/35/80/74/327358074.db2.gz GUURAIDZIOYHMB-UHFFFAOYSA-N 1 1 355.398 2.400 20 5 FEBDMO Cc1cc(N2CCC(NC(=O)c3ccccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000178190389 327571350 /nfs/dbraw/zinc/57/13/50/327571350.db2.gz MMUGYKGHJDEPDE-UHFFFAOYSA-N 1 1 355.398 2.400 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264572726 329036995 /nfs/dbraw/zinc/03/69/95/329036995.db2.gz VSCIUEUIMQBMQO-OAHLLOKOSA-N 1 1 372.429 2.148 20 5 FEBDMO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264572726 329036996 /nfs/dbraw/zinc/03/69/96/329036996.db2.gz VSCIUEUIMQBMQO-OAHLLOKOSA-N 1 1 372.429 2.148 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264572726 329036997 /nfs/dbraw/zinc/03/69/97/329036997.db2.gz VSCIUEUIMQBMQO-OAHLLOKOSA-N 1 1 372.429 2.148 20 5 FEBDMO CC(C)NC(=O)c1ccc(NCC[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000264840962 329066556 /nfs/dbraw/zinc/06/65/56/329066556.db2.gz WZJJTNWVWHXERG-UHFFFAOYSA-N 1 1 352.460 2.194 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000264909445 329073354 /nfs/dbraw/zinc/07/33/54/329073354.db2.gz DYFPXNFRQUPRMZ-ZFWWWQNUSA-N 1 1 362.430 2.101 20 5 FEBDMO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[NH+](C2CCC2)CC1 ZINC000264963598 329078865 /nfs/dbraw/zinc/07/88/65/329078865.db2.gz MUPZOQORKPVNDU-UHFFFAOYSA-N 1 1 355.398 2.091 20 5 FEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986803 329179412 /nfs/dbraw/zinc/17/94/12/329179412.db2.gz KVRHHJQCCWMCBM-AAEUAGOBSA-N 1 1 351.403 2.024 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266285562 329207829 /nfs/dbraw/zinc/20/78/29/329207829.db2.gz KPEGGJJRXYLBKA-LBPRGKRZSA-N 1 1 359.423 2.229 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323291 329211602 /nfs/dbraw/zinc/21/16/02/329211602.db2.gz HMPKYTXSZRKTLE-ZDUSSCGKSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323291 329211603 /nfs/dbraw/zinc/21/16/03/329211603.db2.gz HMPKYTXSZRKTLE-ZDUSSCGKSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323291 329211605 /nfs/dbraw/zinc/21/16/05/329211605.db2.gz HMPKYTXSZRKTLE-ZDUSSCGKSA-N 1 1 357.414 2.363 20 5 FEBDMO C[C@@H](CNc1ncc([N+](=O)[O-])cc1Br)C[NH+]1CCOCC1 ZINC000267178375 329299571 /nfs/dbraw/zinc/29/95/71/329299571.db2.gz BCTVTHZACXIMGH-JTQLQIEISA-N 1 1 359.224 2.133 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267324446 329314864 /nfs/dbraw/zinc/31/48/64/329314864.db2.gz ZMSTYQVEMWZKRS-QWHCGFSZSA-N 1 1 353.444 2.061 20 5 FEBDMO O=C(CC[NH+]1CCN(c2cncc(F)c2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000270872868 329640361 /nfs/dbraw/zinc/64/03/61/329640361.db2.gz JJZDFIVIHWJIHN-UHFFFAOYSA-N 1 1 373.388 2.280 20 5 FEBDMO CS[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1N(C)C ZINC000275662750 330075597 /nfs/dbraw/zinc/07/55/97/330075597.db2.gz WBOGKNWGEXTDQP-HUUCEWRRSA-N 1 1 370.450 2.040 20 5 FEBDMO CS[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1N(C)C ZINC000275662750 330075598 /nfs/dbraw/zinc/07/55/98/330075598.db2.gz WBOGKNWGEXTDQP-HUUCEWRRSA-N 1 1 370.450 2.040 20 5 FEBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276279721 330136551 /nfs/dbraw/zinc/13/65/51/330136551.db2.gz FEEBDVTYOVILLX-IEBWSBKVSA-N 1 1 372.425 2.123 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000276596590 330168401 /nfs/dbraw/zinc/16/84/01/330168401.db2.gz NSHMPOLZSHPWKV-GFCCVEGCSA-N 1 1 368.865 2.170 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000371460582 330244383 /nfs/dbraw/zinc/24/43/83/330244383.db2.gz YMQYHLVSSJATPT-CYBMUJFWSA-N 1 1 371.319 2.358 20 5 FEBDMO Cc1cnc(CC[N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000157500683 545748144 /nfs/dbraw/zinc/74/81/44/545748144.db2.gz XGONUYXOIGYWLA-UHFFFAOYSA-N 1 1 360.439 2.423 20 5 FEBDMO Cc1cnc(CC[N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)s1 ZINC000157500683 545748150 /nfs/dbraw/zinc/74/81/50/545748150.db2.gz XGONUYXOIGYWLA-UHFFFAOYSA-N 1 1 360.439 2.423 20 5 FEBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000157734912 545774694 /nfs/dbraw/zinc/77/46/94/545774694.db2.gz NNJIRRLODZIWLL-HOTGVXAUSA-N 1 1 369.425 2.445 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000158598012 545875284 /nfs/dbraw/zinc/87/52/84/545875284.db2.gz GBYOAFGCMBDNGX-LBPRGKRZSA-N 1 1 371.434 2.371 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000170809348 546177598 /nfs/dbraw/zinc/17/75/98/546177598.db2.gz CJBKRTMIZYHYOD-CYBMUJFWSA-N 1 1 353.444 2.157 20 5 FEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COC1CCOCC1 ZINC000176423308 546444762 /nfs/dbraw/zinc/44/47/62/546444762.db2.gz NLVQWQCSYUQAML-CQSZACIVSA-N 1 1 358.822 2.237 20 5 FEBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COC1CCOCC1 ZINC000176423308 546444764 /nfs/dbraw/zinc/44/47/64/546444764.db2.gz NLVQWQCSYUQAML-CQSZACIVSA-N 1 1 358.822 2.237 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000176724724 546481059 /nfs/dbraw/zinc/48/10/59/546481059.db2.gz RYTUYUMTQLDJTR-CJNGLKHVSA-N 1 1 371.441 2.420 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177036990 546529602 /nfs/dbraw/zinc/52/96/02/546529602.db2.gz JGVCBHQSYMMFDK-GXTWGEPZSA-N 1 1 355.398 2.136 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000481102989 561225289 /nfs/dbraw/zinc/22/52/89/561225289.db2.gz CDFXJSYBZOIDOI-QWHCGFSZSA-N 1 1 362.430 2.158 20 5 FEBDMO Nc1c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000178155134 546748567 /nfs/dbraw/zinc/74/85/67/546748567.db2.gz AMNCESGTAYIQFA-UHFFFAOYSA-N 1 1 354.410 2.178 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000178473508 546799558 /nfs/dbraw/zinc/79/95/58/546799558.db2.gz SLPBLEYHNFWUFG-UHFFFAOYSA-N 1 1 362.430 2.373 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000180475508 547114915 /nfs/dbraw/zinc/11/49/15/547114915.db2.gz TXTMPRKBJRQAOS-QGZVFWFLSA-N 1 1 369.421 2.482 20 5 FEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H](O)COCc1ccccc1 ZINC000482699445 561258730 /nfs/dbraw/zinc/25/87/30/561258730.db2.gz NGMARPHQWHRUAS-MRXNPFEDSA-N 1 1 370.409 2.481 20 5 FEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@@H](O)COCc1ccccc1 ZINC000482699445 561258731 /nfs/dbraw/zinc/25/87/31/561258731.db2.gz NGMARPHQWHRUAS-MRXNPFEDSA-N 1 1 370.409 2.481 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919215 547405313 /nfs/dbraw/zinc/40/53/13/547405313.db2.gz KXDUBAKFJJSARM-HOTGVXAUSA-N 1 1 351.447 2.141 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000182863420 547562850 /nfs/dbraw/zinc/56/28/50/547562850.db2.gz HJJHKRWTFOPHJI-AWEZNQCLSA-N 1 1 369.425 2.280 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183204048 547620206 /nfs/dbraw/zinc/62/02/06/547620206.db2.gz MGOHDDHIHXABQA-WDEREUQCSA-N 1 1 360.357 2.450 20 5 FEBDMO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000183442431 547660388 /nfs/dbraw/zinc/66/03/88/547660388.db2.gz QEAGRZIPURMJAW-QGZVFWFLSA-N 1 1 369.421 2.400 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000184520968 547840708 /nfs/dbraw/zinc/84/07/08/547840708.db2.gz JMWNSDODTHDMPC-KGLIPLIRSA-N 1 1 361.446 2.299 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184640597 547859726 /nfs/dbraw/zinc/85/97/26/547859726.db2.gz LBIHWAADZUUTFX-OAHLLOKOSA-N 1 1 363.462 2.359 20 5 FEBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000485074778 561312039 /nfs/dbraw/zinc/31/20/39/561312039.db2.gz DNHSLZKPROHKQP-HNNXBMFYSA-N 1 1 369.377 2.328 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184989395 547913302 /nfs/dbraw/zinc/91/33/02/547913302.db2.gz CVKMRBSTEDEHOT-GFCCVEGCSA-N 1 1 359.423 2.005 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185899993 548054767 /nfs/dbraw/zinc/05/47/67/548054767.db2.gz LCZAGHJAFLDNMR-OAHLLOKOSA-N 1 1 363.801 2.443 20 5 FEBDMO CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186327249 548119794 /nfs/dbraw/zinc/11/97/94/548119794.db2.gz HQUILNXDNDEGMS-QGZVFWFLSA-N 1 1 371.441 2.304 20 5 FEBDMO Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000186753013 548185336 /nfs/dbraw/zinc/18/53/36/548185336.db2.gz JQUMDZXAVDBPQA-CYBMUJFWSA-N 1 1 350.419 2.212 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000186956619 548227225 /nfs/dbraw/zinc/22/72/25/548227225.db2.gz HOVFOXKHJKURMI-GOFCXVBSSA-N 1 1 361.442 2.302 20 5 FEBDMO CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193998136 548419470 /nfs/dbraw/zinc/41/94/70/548419470.db2.gz GWVDXIUXONEYJG-MRXNPFEDSA-N 1 1 370.409 2.432 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245408329 548909045 /nfs/dbraw/zinc/90/90/45/548909045.db2.gz GQMCWSMQQTVWKY-NEPJUHHUSA-N 1 1 359.386 2.293 20 5 FEBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245436213 548918732 /nfs/dbraw/zinc/91/87/32/548918732.db2.gz QWNUONJIFQVPQF-JKSUJKDBSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245436213 548918733 /nfs/dbraw/zinc/91/87/33/548918733.db2.gz QWNUONJIFQVPQF-JKSUJKDBSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H]1c1ccccc1 ZINC000245515309 548937576 /nfs/dbraw/zinc/93/75/76/548937576.db2.gz DKYZIZZLUDFQBN-WMLDXEAASA-N 1 1 369.377 2.499 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246050930 549042341 /nfs/dbraw/zinc/04/23/41/549042341.db2.gz AXIUHDADXAWVRA-BLLLJJGKSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1C ZINC000246540412 549156222 /nfs/dbraw/zinc/15/62/22/549156222.db2.gz CWPYYBONVCZOQR-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO CCOC(=O)c1ccnc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488724854 561395459 /nfs/dbraw/zinc/39/54/59/561395459.db2.gz ZQCOVAQKPRRWNH-KCQAQPDRSA-N 1 1 362.430 2.333 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246767255 549207828 /nfs/dbraw/zinc/20/78/28/549207828.db2.gz LUHUEZHOGXYTCS-YJBOKZPZSA-N 1 1 363.458 2.391 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCS[C@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246789681 549212444 /nfs/dbraw/zinc/21/24/44/549212444.db2.gz ISQIBWOIEZHHKM-CVEARBPZSA-N 1 1 365.455 2.438 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000246950778 549249482 /nfs/dbraw/zinc/24/94/82/549249482.db2.gz YCLVCFCCKCSARO-SWLSCSKDSA-N 1 1 362.386 2.179 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000246950778 549249487 /nfs/dbraw/zinc/24/94/87/549249487.db2.gz YCLVCFCCKCSARO-SWLSCSKDSA-N 1 1 362.386 2.179 20 5 FEBDMO COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489020161 561401772 /nfs/dbraw/zinc/40/17/72/561401772.db2.gz XBXFKCIROPQXJJ-CYBMUJFWSA-N 1 1 373.413 2.464 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000247335530 549319989 /nfs/dbraw/zinc/31/99/89/549319989.db2.gz HGGGPXOKZYKHJK-AAEUAGOBSA-N 1 1 373.862 2.353 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000247962849 549395095 /nfs/dbraw/zinc/39/50/95/549395095.db2.gz GKZUJQYCCQKUSZ-JKSUJKDBSA-N 1 1 369.425 2.337 20 5 FEBDMO CC(C)C[C@]1(CO)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249112399 549555008 /nfs/dbraw/zinc/55/50/08/549555008.db2.gz RJNGXPDFLBWEJN-QAPCUYQASA-N 1 1 352.431 2.208 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249238333 549572490 /nfs/dbraw/zinc/57/24/90/549572490.db2.gz WJCYGILVOFCKLP-OLZOCXBDSA-N 1 1 371.459 2.002 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249331170 549581176 /nfs/dbraw/zinc/58/11/76/549581176.db2.gz HQFYRKKLYUERTR-AWEZNQCLSA-N 1 1 351.447 2.271 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261935491 549770934 /nfs/dbraw/zinc/77/09/34/549770934.db2.gz KAEHCLPRHFXEGN-KRWDZBQOSA-N 1 1 359.357 2.286 20 5 FEBDMO CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000490646636 561436706 /nfs/dbraw/zinc/43/67/06/561436706.db2.gz AGFDBKFJEMDROO-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147487 550160701 /nfs/dbraw/zinc/16/07/01/550160701.db2.gz QBLHMMYQYJMXBQ-YPMHNXCESA-N 1 1 373.862 2.353 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000269434554 550195706 /nfs/dbraw/zinc/19/57/06/550195706.db2.gz QJTXGRQSQAMJOO-ZDUSSCGKSA-N 1 1 370.475 2.022 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000493883304 561458804 /nfs/dbraw/zinc/45/88/04/561458804.db2.gz NTEQLHIYWOKCIU-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000493883304 561458805 /nfs/dbraw/zinc/45/88/05/561458805.db2.gz NTEQLHIYWOKCIU-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO CC(C)[NH+]1CCN(C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270572451 550285035 /nfs/dbraw/zinc/28/50/35/550285035.db2.gz ZUDBEZWGEJZSQG-UHFFFAOYSA-N 1 1 374.485 2.154 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270791818 550307362 /nfs/dbraw/zinc/30/73/62/550307362.db2.gz KCLDKJKUPQNSGP-UHFFFAOYSA-N 1 1 364.446 2.237 20 5 FEBDMO COC(=O)c1ccc2c(c1)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000271303853 550362899 /nfs/dbraw/zinc/36/28/99/550362899.db2.gz FXYOUJUGSCQAQS-SFHVURJKSA-N 1 1 356.378 2.473 20 5 FEBDMO COC(=O)c1ccc2c(c1)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000271303853 550362900 /nfs/dbraw/zinc/36/29/00/550362900.db2.gz FXYOUJUGSCQAQS-SFHVURJKSA-N 1 1 356.378 2.473 20 5 FEBDMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272911354 550476548 /nfs/dbraw/zinc/47/65/48/550476548.db2.gz GJGYGZOHPNOABU-CQSZACIVSA-N 1 1 360.366 2.195 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000277211073 550644085 /nfs/dbraw/zinc/64/40/85/550644085.db2.gz KPILKOXCSOTTRI-GFCCVEGCSA-N 1 1 354.382 2.356 20 5 FEBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000278488971 550791834 /nfs/dbraw/zinc/79/18/34/550791834.db2.gz LAGDADHUJPCOSB-AWEZNQCLSA-N 1 1 372.429 2.287 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000278537536 550796871 /nfs/dbraw/zinc/79/68/71/550796871.db2.gz SPILUNBAEJRNHA-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO Cc1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c(=O)n1C ZINC000278861173 550829791 /nfs/dbraw/zinc/82/97/91/550829791.db2.gz XVUILOHSIQOSQX-UHFFFAOYSA-N 1 1 353.325 2.493 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281075439 551060929 /nfs/dbraw/zinc/06/09/29/551060929.db2.gz UBKZRJRZDATZPK-DLBZAZTESA-N 1 1 373.409 2.021 20 5 FEBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281194524 551072542 /nfs/dbraw/zinc/07/25/42/551072542.db2.gz ORFPMEKEINNASM-SECBINFHSA-N 1 1 365.814 2.102 20 5 FEBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281194524 551072543 /nfs/dbraw/zinc/07/25/43/551072543.db2.gz ORFPMEKEINNASM-SECBINFHSA-N 1 1 365.814 2.102 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000281347308 551087047 /nfs/dbraw/zinc/08/70/47/551087047.db2.gz WWWZVYIVJAOYQB-ZDUSSCGKSA-N 1 1 371.235 2.109 20 5 FEBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)CN1CC[NH+](C)CC1 ZINC000283672251 551406951 /nfs/dbraw/zinc/40/69/51/551406951.db2.gz FAFARBBPSFIGKP-LBPRGKRZSA-N 1 1 369.853 2.253 20 5 FEBDMO CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000498018565 561513906 /nfs/dbraw/zinc/51/39/06/561513906.db2.gz GPSBYKQYKQVAHE-RDJZCZTQSA-N 1 1 371.441 2.475 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000498583124 561529543 /nfs/dbraw/zinc/52/95/43/561529543.db2.gz IYGKSFLCRFOOCL-QWHCGFSZSA-N 1 1 363.414 2.326 20 5 FEBDMO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000285455451 551759379 /nfs/dbraw/zinc/75/93/79/551759379.db2.gz JHTKPFPMXXFJBB-UHFFFAOYSA-N 1 1 363.414 2.433 20 5 FEBDMO CCOC1CC2(C1)CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C2 ZINC000285455451 551759381 /nfs/dbraw/zinc/75/93/81/551759381.db2.gz JHTKPFPMXXFJBB-UHFFFAOYSA-N 1 1 363.414 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000498928055 561538224 /nfs/dbraw/zinc/53/82/24/561538224.db2.gz HUKGHZMKDQKOHO-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286044627 551842229 /nfs/dbraw/zinc/84/22/29/551842229.db2.gz QWQOZTSJLBSAFB-GDBMZVCRSA-N 1 1 370.471 2.384 20 5 FEBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286044627 551842231 /nfs/dbraw/zinc/84/22/31/551842231.db2.gz QWQOZTSJLBSAFB-GDBMZVCRSA-N 1 1 370.471 2.384 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000286115803 551850329 /nfs/dbraw/zinc/85/03/29/551850329.db2.gz JENAKKBDYAUMER-UONOGXRCSA-N 1 1 350.419 2.130 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286312649 551872819 /nfs/dbraw/zinc/87/28/19/551872819.db2.gz KIFQYAZUSKNWLP-SFHVURJKSA-N 1 1 367.453 2.386 20 5 FEBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286343043 551876843 /nfs/dbraw/zinc/87/68/43/551876843.db2.gz RZKGIDXNLWXDEA-CQSZACIVSA-N 1 1 368.231 2.336 20 5 FEBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286365321 551879062 /nfs/dbraw/zinc/87/90/62/551879062.db2.gz HQPBMITWWPZCEX-CQSZACIVSA-N 1 1 362.430 2.304 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288479710 552160635 /nfs/dbraw/zinc/16/06/35/552160635.db2.gz QXIKOWQBKTWGEI-GOSISDBHSA-N 1 1 355.398 2.056 20 5 FEBDMO CCC[C@@]1(CO)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288867645 552227321 /nfs/dbraw/zinc/22/73/21/552227321.db2.gz QHIABAWLXHDJBK-GOSISDBHSA-N 1 1 365.430 2.417 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000289351176 552305435 /nfs/dbraw/zinc/30/54/35/552305435.db2.gz JCINLOONLPTBLO-RZIFZGNASA-N 1 1 367.471 2.211 20 5 FEBDMO COc1ccc(C[NH2+]Cc2cnc(C3OCCO3)s2)cc1[N+](=O)[O-] ZINC000289366116 552308094 /nfs/dbraw/zinc/30/80/94/552308094.db2.gz ZEOSNCXQTPISEX-UHFFFAOYSA-N 1 1 351.384 2.395 20 5 FEBDMO COc1cc(C[NH2+][C@](C)(C(N)=O)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000289468774 552326633 /nfs/dbraw/zinc/32/66/33/552326633.db2.gz YUPHKRBEUZSZKI-HNNXBMFYSA-N 1 1 361.345 2.194 20 5 FEBDMO CN(C)c1cc(NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)cc[nH+]1 ZINC000500415917 561572242 /nfs/dbraw/zinc/57/22/42/561572242.db2.gz NAZHFHZRRQXTAM-UHFFFAOYSA-N 1 1 352.354 2.494 20 5 FEBDMO CC1(C)CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000290672148 552517110 /nfs/dbraw/zinc/51/71/10/552517110.db2.gz RHIZSRHNDKLCQB-UHFFFAOYSA-N 1 1 369.425 2.190 20 5 FEBDMO CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000290753102 552531963 /nfs/dbraw/zinc/53/19/63/552531963.db2.gz JASSRDLVTKWWOC-OAHLLOKOSA-N 1 1 369.425 2.190 20 5 FEBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000290990579 552573038 /nfs/dbraw/zinc/57/30/38/552573038.db2.gz SNPMQPAXGIPOKM-SJKOYZFVSA-N 1 1 358.398 2.011 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291775122 552660512 /nfs/dbraw/zinc/66/05/12/552660512.db2.gz LZENOHSQJSHWCI-AWEZNQCLSA-N 1 1 359.386 2.076 20 5 FEBDMO CON(C)C(=O)C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000291871526 552670480 /nfs/dbraw/zinc/67/04/80/552670480.db2.gz PUBVVTIDFSAINY-UHFFFAOYSA-N 1 1 374.397 2.482 20 5 FEBDMO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292354785 552719050 /nfs/dbraw/zinc/71/90/50/552719050.db2.gz PZGFDWVLFJNNDK-NVXWUHKLSA-N 1 1 363.458 2.141 20 5 FEBDMO CC(C)[C@@]1(CO)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962704 552775232 /nfs/dbraw/zinc/77/52/32/552775232.db2.gz FVIVYWVQZBEGBX-YJBOKZPZSA-N 1 1 352.431 2.065 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293501378 552830185 /nfs/dbraw/zinc/83/01/85/552830185.db2.gz XFPBBHQXEARCQT-LJQANCHMSA-N 1 1 374.441 2.040 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293992120 552873541 /nfs/dbraw/zinc/87/35/41/552873541.db2.gz WLDJDVDILKAVCS-LSDHHAIUSA-N 1 1 369.368 2.008 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000294180949 552888471 /nfs/dbraw/zinc/88/84/71/552888471.db2.gz PAUJUFQVBRBFNU-KRWDZBQOSA-N 1 1 351.378 2.057 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294607828 552920169 /nfs/dbraw/zinc/92/01/69/552920169.db2.gz MRCRVQGUQDHRCU-LLVKDONJSA-N 1 1 361.320 2.064 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@H+](C2CC2)C1 ZINC000295231994 552973105 /nfs/dbraw/zinc/97/31/05/552973105.db2.gz BSRCVOQFRFSXDY-AWEZNQCLSA-N 1 1 369.425 2.337 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H](C)[NH+]1CCN(C)CC1 ZINC000295551820 553025086 /nfs/dbraw/zinc/02/50/86/553025086.db2.gz PLWOKMGUNZJCHG-ZDUSSCGKSA-N 1 1 359.430 2.199 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000295908855 553074597 /nfs/dbraw/zinc/07/45/97/553074597.db2.gz DDEHPKDNIZZSAP-UHFFFAOYSA-N 1 1 364.409 2.498 20 5 FEBDMO CCN1CC[NH+](Cc2ccccc2CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000296554736 553178709 /nfs/dbraw/zinc/17/87/09/553178709.db2.gz PDEJFJSWJROEIS-UHFFFAOYSA-N 1 1 370.457 2.443 20 5 FEBDMO C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297459302 553295069 /nfs/dbraw/zinc/29/50/69/553295069.db2.gz CFAKUZPYRNAMQF-AWEZNQCLSA-N 1 1 364.446 2.144 20 5 FEBDMO C[N@@H+](CCNC(=O)OC(C)(C)C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000297536583 553305643 /nfs/dbraw/zinc/30/56/43/553305643.db2.gz YFKDXRNFAAKYHE-UHFFFAOYSA-N 1 1 366.418 2.380 20 5 FEBDMO COC(=O)[C@]1(C)C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000503204507 561636648 /nfs/dbraw/zinc/63/66/48/561636648.db2.gz KDHGHFZACIGZRZ-QLJPJBMISA-N 1 1 369.805 2.318 20 5 FEBDMO COC(=O)[C@]1(C)C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000503204507 561636649 /nfs/dbraw/zinc/63/66/49/561636649.db2.gz KDHGHFZACIGZRZ-QLJPJBMISA-N 1 1 369.805 2.318 20 5 FEBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297776011 553337358 /nfs/dbraw/zinc/33/73/58/553337358.db2.gz GKTGOOYTMQPEMB-STQMWFEESA-N 1 1 351.403 2.431 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000299192648 553528049 /nfs/dbraw/zinc/52/80/49/553528049.db2.gz DJOZJYVUAUKZRO-SWLSCSKDSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000299419042 553560776 /nfs/dbraw/zinc/56/07/76/553560776.db2.gz TUAMIIQLQIJQBW-CQSZACIVSA-N 1 1 365.821 2.172 20 5 FEBDMO CS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301184076 553628922 /nfs/dbraw/zinc/62/89/22/553628922.db2.gz JDQJUMHJPFCKDO-GFCCVEGCSA-N 1 1 353.444 2.427 20 5 FEBDMO CS(=O)(=O)c1ccc(N[C@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301184082 553628977 /nfs/dbraw/zinc/62/89/77/553628977.db2.gz JDQJUMHJPFCKDO-LBPRGKRZSA-N 1 1 353.444 2.427 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572234 553662119 /nfs/dbraw/zinc/66/21/19/553662119.db2.gz LETMUGXUWSEPBU-GUYCJALGSA-N 1 1 369.425 2.411 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000301831151 553683281 /nfs/dbraw/zinc/68/32/81/553683281.db2.gz SJZDCHSSXKFTMI-GOSISDBHSA-N 1 1 369.425 2.062 20 5 FEBDMO C[C@@](O)(CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000302006676 553698030 /nfs/dbraw/zinc/69/80/30/553698030.db2.gz AJRBENGGZKMFBE-CQSZACIVSA-N 1 1 364.229 2.397 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302428164 553716741 /nfs/dbraw/zinc/71/67/41/553716741.db2.gz KKZVUCPHQVNHMV-WDEREUQCSA-N 1 1 358.236 2.249 20 5 FEBDMO C[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000302491210 553718458 /nfs/dbraw/zinc/71/84/58/553718458.db2.gz KDGBVUPUVSINOL-JTQLQIEISA-N 1 1 373.251 2.034 20 5 FEBDMO CCC(CC)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000505886527 561684018 /nfs/dbraw/zinc/68/40/18/561684018.db2.gz HCBWDBCNVWDLCW-UHFFFAOYSA-N 1 1 355.460 2.337 20 5 FEBDMO CC[NH+](CC)CCOC1CCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000506749923 561707706 /nfs/dbraw/zinc/70/77/06/561707706.db2.gz RVUSMABJMXXUPN-UHFFFAOYSA-N 1 1 365.430 2.263 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000330485988 554127952 /nfs/dbraw/zinc/12/79/52/554127952.db2.gz CUSGDAJKXVQRAC-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331014379 554201432 /nfs/dbraw/zinc/20/14/32/554201432.db2.gz XERNJWARLJPFTN-HNNXBMFYSA-N 1 1 354.838 2.459 20 5 FEBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](Cc4ccncc4)CC3)c21 ZINC000509042460 561782569 /nfs/dbraw/zinc/78/25/69/561782569.db2.gz ZKNGKKDEMQTZOR-UHFFFAOYSA-N 1 1 350.382 2.255 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000331892481 554340507 /nfs/dbraw/zinc/34/05/07/554340507.db2.gz FSSAEWGLOBIFCP-GFCCVEGCSA-N 1 1 371.434 2.338 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000332197827 554399489 /nfs/dbraw/zinc/39/94/89/554399489.db2.gz DZHVPOUFNNPTIW-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO CC(C)(C)[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000332248020 554409592 /nfs/dbraw/zinc/40/95/92/554409592.db2.gz BFHGNMISGLZBPZ-DOTOQJQBSA-N 1 1 361.442 2.213 20 5 FEBDMO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000332248020 554409594 /nfs/dbraw/zinc/40/95/94/554409594.db2.gz BFHGNMISGLZBPZ-DOTOQJQBSA-N 1 1 361.442 2.213 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000332314174 554423287 /nfs/dbraw/zinc/42/32/87/554423287.db2.gz NGTNATIKFBTONF-WBVHZDCISA-N 1 1 361.442 2.213 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000332314174 554423289 /nfs/dbraw/zinc/42/32/89/554423289.db2.gz NGTNATIKFBTONF-WBVHZDCISA-N 1 1 361.442 2.213 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000332316745 554423985 /nfs/dbraw/zinc/42/39/85/554423985.db2.gz YRBWYCZAVOSLRG-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000332386327 554436743 /nfs/dbraw/zinc/43/67/43/554436743.db2.gz YAHNNDZSVXCYRU-KGLIPLIRSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000332386327 554436744 /nfs/dbraw/zinc/43/67/44/554436744.db2.gz YAHNNDZSVXCYRU-KGLIPLIRSA-N 1 1 353.444 2.156 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592789 554478736 /nfs/dbraw/zinc/47/87/36/554478736.db2.gz NYLYZRINDQYGQD-HUUCEWRRSA-N 1 1 367.471 2.459 20 5 FEBDMO C[C@@H]1C[C@@H](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000510200168 561828094 /nfs/dbraw/zinc/82/80/94/561828094.db2.gz WYBODKOKWRCCCN-NVXWUHKLSA-N 1 1 371.441 2.208 20 5 FEBDMO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350975911 554826483 /nfs/dbraw/zinc/82/64/83/554826483.db2.gz DJSWKNHPTIGLGK-STQMWFEESA-N 1 1 373.413 2.210 20 5 FEBDMO CNc1nc(-c2nc([C@@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000351124813 554838532 /nfs/dbraw/zinc/83/85/32/554838532.db2.gz QFFBLLPODDAQQA-BLLLJJGKSA-N 1 1 360.374 2.007 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361366905 554918656 /nfs/dbraw/zinc/91/86/56/554918656.db2.gz UUTMFMRWADNCEP-CJNGLKHVSA-N 1 1 355.398 2.303 20 5 FEBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361366905 554918657 /nfs/dbraw/zinc/91/86/57/554918657.db2.gz UUTMFMRWADNCEP-CJNGLKHVSA-N 1 1 355.398 2.303 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391123 554920464 /nfs/dbraw/zinc/92/04/64/554920464.db2.gz IPXCPWFJGUWTBA-IINYFYTJSA-N 1 1 363.443 2.365 20 5 FEBDMO C[NH+]1CCN(C[C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000361832657 554936970 /nfs/dbraw/zinc/93/69/70/554936970.db2.gz YRFANVUYKNYDSL-ZDUSSCGKSA-N 1 1 353.854 2.107 20 5 FEBDMO COCc1nccc([C@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000362781499 554988015 /nfs/dbraw/zinc/98/80/15/554988015.db2.gz NRCKLMNESUFLSO-MAUKXSAKSA-N 1 1 372.425 2.444 20 5 FEBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cn1 ZINC000363170460 555044611 /nfs/dbraw/zinc/04/46/11/555044611.db2.gz IIPWIEHYTDRELV-CYBMUJFWSA-N 1 1 368.397 2.443 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363509217 555123265 /nfs/dbraw/zinc/12/32/65/555123265.db2.gz WJSCXXUIWDRBEU-SJORKVTESA-N 1 1 355.398 2.234 20 5 FEBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000363509217 555123267 /nfs/dbraw/zinc/12/32/67/555123267.db2.gz WJSCXXUIWDRBEU-SJORKVTESA-N 1 1 355.398 2.234 20 5 FEBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000363518119 555126078 /nfs/dbraw/zinc/12/60/78/555126078.db2.gz REUDBKBWOVHAKF-YOCVDRLZSA-N 1 1 359.426 2.321 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000363781764 555184760 /nfs/dbraw/zinc/18/47/60/555184760.db2.gz SPGULRQGSYSQIM-AEFFLSMTSA-N 1 1 357.410 2.294 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000363781769 555184851 /nfs/dbraw/zinc/18/48/51/555184851.db2.gz SPGULRQGSYSQIM-FUHWJXTLSA-N 1 1 357.410 2.294 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000363781773 555185017 /nfs/dbraw/zinc/18/50/17/555185017.db2.gz SPGULRQGSYSQIM-WMZOPIPTSA-N 1 1 357.410 2.294 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000364448342 555316173 /nfs/dbraw/zinc/31/61/73/555316173.db2.gz QRFQMIVWKREEPN-AWEZNQCLSA-N 1 1 358.341 2.204 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000364448342 555316175 /nfs/dbraw/zinc/31/61/75/555316175.db2.gz QRFQMIVWKREEPN-AWEZNQCLSA-N 1 1 358.341 2.204 20 5 FEBDMO C[N@H+]1CCCC12CCN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)CC2 ZINC000364848183 555414401 /nfs/dbraw/zinc/41/44/01/555414401.db2.gz ARZTWKQBUPYROZ-UHFFFAOYSA-N 1 1 369.425 2.481 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000364938352 555443657 /nfs/dbraw/zinc/44/36/57/555443657.db2.gz GPSJHHLHIMGSAM-AWEZNQCLSA-N 1 1 367.421 2.408 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000364962191 555451090 /nfs/dbraw/zinc/45/10/90/555451090.db2.gz UKWYGHYVAJZMHR-CQSZACIVSA-N 1 1 354.838 2.067 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CCN3CCOCC3)CC2)c1 ZINC000366650235 555899422 /nfs/dbraw/zinc/89/94/22/555899422.db2.gz FBDBZEGIUPDYHB-LJQANCHMSA-N 1 1 363.458 2.063 20 5 FEBDMO CCNc1ccc(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000514346513 561965897 /nfs/dbraw/zinc/96/58/97/561965897.db2.gz FETJBKMIAQJPHU-KRWDZBQOSA-N 1 1 364.446 2.113 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000514542568 561966919 /nfs/dbraw/zinc/96/69/19/561966919.db2.gz GFXNNVCFNOZJQA-UONOGXRCSA-N 1 1 355.460 2.444 20 5 FEBDMO O=C(CC[NH+]1CCN(c2ccc(F)cn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000367750868 556130314 /nfs/dbraw/zinc/13/03/14/556130314.db2.gz SLNBJQKTRGNWRL-UHFFFAOYSA-N 1 1 373.388 2.280 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C(c2ccnc3[nH]ccc32)CC1 ZINC000367786874 556138928 /nfs/dbraw/zinc/13/89/28/556138928.db2.gz WIYQPQXUOCURNA-UHFFFAOYSA-N 1 1 365.393 2.422 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000368095511 556218116 /nfs/dbraw/zinc/21/81/16/556218116.db2.gz QOHZEDMINDWQSP-LJQANCHMSA-N 1 1 355.394 2.226 20 5 FEBDMO Cn1cc([C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000515552346 562014969 /nfs/dbraw/zinc/01/49/69/562014969.db2.gz DUCBJDJLQSRJFT-HOTGVXAUSA-N 1 1 374.441 2.194 20 5 FEBDMO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368958971 556459276 /nfs/dbraw/zinc/45/92/76/556459276.db2.gz PUCMFVCPHSBJTH-QANKJYHBSA-N 1 1 369.425 2.081 20 5 FEBDMO Cc1ncc(C[N@@H+]2CC[C@H](NCc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976181 556465438 /nfs/dbraw/zinc/46/54/38/556465438.db2.gz UNUVHMLSRLBAAC-FZMZJTMJSA-N 1 1 364.475 2.093 20 5 FEBDMO Cc1ncc(C[N@H+]2CC[C@H](NCc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976181 556465439 /nfs/dbraw/zinc/46/54/39/556465439.db2.gz UNUVHMLSRLBAAC-FZMZJTMJSA-N 1 1 364.475 2.093 20 5 FEBDMO Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015905 556477425 /nfs/dbraw/zinc/47/74/25/556477425.db2.gz COZHFMFMCBGBJH-DOTOQJQBSA-N 1 1 371.441 2.442 20 5 FEBDMO Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015905 556477426 /nfs/dbraw/zinc/47/74/26/556477426.db2.gz COZHFMFMCBGBJH-DOTOQJQBSA-N 1 1 371.441 2.442 20 5 FEBDMO CCC[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000369156228 556519602 /nfs/dbraw/zinc/51/96/02/556519602.db2.gz NPGYARNFIFEJMQ-UHFFFAOYSA-N 1 1 374.445 2.127 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253985 556551244 /nfs/dbraw/zinc/55/12/44/556551244.db2.gz JCDBRTFJTNFUMQ-LBPRGKRZSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253985 556551247 /nfs/dbraw/zinc/55/12/47/556551247.db2.gz JCDBRTFJTNFUMQ-LBPRGKRZSA-N 1 1 366.849 2.147 20 5 FEBDMO CC(C)C[N@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000369309874 556571362 /nfs/dbraw/zinc/57/13/62/556571362.db2.gz IZZRMYATAZICGB-UHFFFAOYSA-N 1 1 363.414 2.170 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369669368 556664169 /nfs/dbraw/zinc/66/41/69/556664169.db2.gz ZOXUWLPXDLPHMH-CGTJXYLNSA-N 1 1 358.442 2.263 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3F)C2)c1 ZINC000369974996 556746385 /nfs/dbraw/zinc/74/63/85/556746385.db2.gz QVXWXGYAIXCKCI-ZFWWWQNUSA-N 1 1 364.377 2.007 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1F ZINC000370191433 556806709 /nfs/dbraw/zinc/80/67/09/556806709.db2.gz LXCQCQNKLDAZAE-LLVKDONJSA-N 1 1 372.360 2.302 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[S@@](=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000370210569 556812017 /nfs/dbraw/zinc/81/20/17/556812017.db2.gz RBBRFWKTPRIXFF-YYUOZPCZSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[S@@](=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000370210569 556812021 /nfs/dbraw/zinc/81/20/21/556812021.db2.gz RBBRFWKTPRIXFF-YYUOZPCZSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[S@@](=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000370210567 556812068 /nfs/dbraw/zinc/81/20/68/556812068.db2.gz RBBRFWKTPRIXFF-MCFWBGNESA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[S@@](=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000370210567 556812071 /nfs/dbraw/zinc/81/20/71/556812071.db2.gz RBBRFWKTPRIXFF-MCFWBGNESA-N 1 1 353.444 2.075 20 5 FEBDMO CCc1nccc([C@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000370737568 556954125 /nfs/dbraw/zinc/95/41/25/556954125.db2.gz GQJSPAIWMRUKPR-AWEZNQCLSA-N 1 1 369.425 2.426 20 5 FEBDMO Cc1c(CC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000370817944 556977810 /nfs/dbraw/zinc/97/78/10/556977810.db2.gz ZKUBKNNACNJNBP-AEFFLSMTSA-N 1 1 361.442 2.205 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000371334869 557151068 /nfs/dbraw/zinc/15/10/68/557151068.db2.gz HKGORJASVHJGPK-OAHLLOKOSA-N 1 1 352.398 2.348 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](Cc3cccc(Cl)c3)C2)c1 ZINC000371360888 557160237 /nfs/dbraw/zinc/16/02/37/557160237.db2.gz LDWVDLOJZCMZBC-WMLDXEAASA-N 1 1 364.833 2.370 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NC[C@H]2CCCC[N@H+]2CC)cc([N+](=O)[O-])c1 ZINC000517641442 562094445 /nfs/dbraw/zinc/09/44/45/562094445.db2.gz PEZLTKFIRDUVDS-OAHLLOKOSA-N 1 1 363.414 2.376 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000371506305 557203362 /nfs/dbraw/zinc/20/33/62/557203362.db2.gz QHVKGBMMCGUNMZ-BXUZGUMPSA-N 1 1 373.862 2.271 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]21 ZINC000371546759 557217158 /nfs/dbraw/zinc/21/71/58/557217158.db2.gz OCOFFPDQKZKLOO-KDOFPFPSSA-N 1 1 358.442 2.361 20 5 FEBDMO Cc1c(C[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000371558111 557221942 /nfs/dbraw/zinc/22/19/42/557221942.db2.gz OMJXLUCSTUNZHR-UHFFFAOYSA-N 1 1 369.425 2.109 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)cc1[N+](=O)[O-] ZINC000518342610 562109092 /nfs/dbraw/zinc/10/90/92/562109092.db2.gz ADLKNZQIXPODFU-QGZVFWFLSA-N 1 1 367.471 2.318 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000371960214 557340146 /nfs/dbraw/zinc/34/01/46/557340146.db2.gz NQMNHISKZVBSJE-CQSZACIVSA-N 1 1 367.471 2.373 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000518846443 562119815 /nfs/dbraw/zinc/11/98/15/562119815.db2.gz UVJICOARSKRZKK-QWHCGFSZSA-N 1 1 362.430 2.037 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000518846443 562119816 /nfs/dbraw/zinc/11/98/16/562119816.db2.gz UVJICOARSKRZKK-QWHCGFSZSA-N 1 1 362.430 2.037 20 5 FEBDMO Cc1cccc(NC2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000373105109 557630075 /nfs/dbraw/zinc/63/00/75/557630075.db2.gz UXSJZOMKCYXBSB-UHFFFAOYSA-N 1 1 357.370 2.116 20 5 FEBDMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373112983 557631493 /nfs/dbraw/zinc/63/14/93/557631493.db2.gz PDPXOLLLLUIVHT-WMLDXEAASA-N 1 1 373.413 2.189 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000519892263 562147494 /nfs/dbraw/zinc/14/74/94/562147494.db2.gz VFMXIICNDMMRBH-BETUJISGSA-N 1 1 373.450 2.380 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000519892263 562147495 /nfs/dbraw/zinc/14/74/95/562147495.db2.gz VFMXIICNDMMRBH-BETUJISGSA-N 1 1 373.450 2.380 20 5 FEBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC2)C1CC1 ZINC000373217968 557651609 /nfs/dbraw/zinc/65/16/09/557651609.db2.gz RZRXDYWCCYSUIX-ZDUSSCGKSA-N 1 1 360.414 2.032 20 5 FEBDMO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)[C@@H]1C ZINC000373246263 557657627 /nfs/dbraw/zinc/65/76/27/557657627.db2.gz VSRLXGUEXVNOLZ-IIAWOOMASA-N 1 1 363.462 2.369 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374375706 557874364 /nfs/dbraw/zinc/87/43/64/557874364.db2.gz TWLZNUSZBVHKHL-STQMWFEESA-N 1 1 366.393 2.417 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374375706 557874366 /nfs/dbraw/zinc/87/43/66/557874366.db2.gz TWLZNUSZBVHKHL-STQMWFEESA-N 1 1 366.393 2.417 20 5 FEBDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000374609945 557906447 /nfs/dbraw/zinc/90/64/47/557906447.db2.gz HCQMKZQUFXNEIG-SJORKVTESA-N 1 1 360.414 2.306 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374697139 557918026 /nfs/dbraw/zinc/91/80/26/557918026.db2.gz FINWOXIJMGUEIC-QWHCGFSZSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374697139 557918027 /nfs/dbraw/zinc/91/80/27/557918027.db2.gz FINWOXIJMGUEIC-QWHCGFSZSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374834160 557938087 /nfs/dbraw/zinc/93/80/87/557938087.db2.gz RUAQFEIAEGZMRN-NSHDSACASA-N 1 1 350.394 2.405 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H]1c1cccnc1 ZINC000374854734 557941155 /nfs/dbraw/zinc/94/11/55/557941155.db2.gz IUWOBJZOFYEIHC-SJCJKPOMSA-N 1 1 373.388 2.134 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C[C@H]21 ZINC000375050319 557970078 /nfs/dbraw/zinc/97/00/78/557970078.db2.gz QIGUPNDMKMDDNF-RDTXWAMCSA-N 1 1 358.442 2.361 20 5 FEBDMO C[C@H]1[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375241988 557996980 /nfs/dbraw/zinc/99/69/80/557996980.db2.gz MKTHLWKTPRTLCV-CABCVRRESA-N 1 1 350.415 2.226 20 5 FEBDMO CCOc1cc(C[N@@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000375510154 558040163 /nfs/dbraw/zinc/04/01/63/558040163.db2.gz UDYXAOFHHNHJBC-GHMZBOCLSA-N 1 1 361.320 2.089 20 5 FEBDMO CCOc1cc(C[N@H+]2C[C@@H](C(N)=O)[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000375510154 558040165 /nfs/dbraw/zinc/04/01/65/558040165.db2.gz UDYXAOFHHNHJBC-GHMZBOCLSA-N 1 1 361.320 2.089 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@@H]3Cn3ccnn3)o2)cc1 ZINC000375828798 558085950 /nfs/dbraw/zinc/08/59/50/558085950.db2.gz DDHGGCJGQSDWCR-OAHLLOKOSA-N 1 1 369.385 2.291 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@@H]3Cn3ccnn3)o2)cc1 ZINC000375828798 558085951 /nfs/dbraw/zinc/08/59/51/558085951.db2.gz DDHGGCJGQSDWCR-OAHLLOKOSA-N 1 1 369.385 2.291 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000376202866 558140657 /nfs/dbraw/zinc/14/06/57/558140657.db2.gz GLHLCSXOHXBCRV-MRXNPFEDSA-N 1 1 359.357 2.416 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000376202866 558140659 /nfs/dbraw/zinc/14/06/59/558140659.db2.gz GLHLCSXOHXBCRV-MRXNPFEDSA-N 1 1 359.357 2.416 20 5 FEBDMO CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376799346 558222719 /nfs/dbraw/zinc/22/27/19/558222719.db2.gz PEVWXHCFFFWVMX-GOSISDBHSA-N 1 1 362.474 2.074 20 5 FEBDMO CN(CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000376799346 558222721 /nfs/dbraw/zinc/22/27/21/558222721.db2.gz PEVWXHCFFFWVMX-GOSISDBHSA-N 1 1 362.474 2.074 20 5 FEBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(c3cccc([N+](=O)[O-])c3)CC1)C2 ZINC000377771931 558416542 /nfs/dbraw/zinc/41/65/42/558416542.db2.gz RGMVWZNRMZBAQU-HNNXBMFYSA-N 1 1 369.425 2.011 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000378407566 558549975 /nfs/dbraw/zinc/54/99/75/558549975.db2.gz XVYWLXSRSVFBMF-SWLSCSKDSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000378407566 558549978 /nfs/dbraw/zinc/54/99/78/558549978.db2.gz XVYWLXSRSVFBMF-SWLSCSKDSA-N 1 1 363.805 2.157 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524253240 562226011 /nfs/dbraw/zinc/22/60/11/562226011.db2.gz DPDBNKMZYCWTDR-QGZVFWFLSA-N 1 1 363.458 2.345 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000408466640 558680330 /nfs/dbraw/zinc/68/03/30/558680330.db2.gz MOPKIUOQTJEGTG-RNCFNFMXSA-N 1 1 354.204 2.133 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000524872543 562236551 /nfs/dbraw/zinc/23/65/51/562236551.db2.gz NOTFPRMCYJNFNF-CHWSQXEVSA-N 1 1 371.459 2.097 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000411306241 558872952 /nfs/dbraw/zinc/87/29/52/558872952.db2.gz YRLIWNNMPFJEFA-ZFWWWQNUSA-N 1 1 362.430 2.173 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000411306239 558873090 /nfs/dbraw/zinc/87/30/90/558873090.db2.gz YRLIWNNMPFJEFA-HIFRSBDPSA-N 1 1 362.430 2.173 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+]2CCC[C@H](C)C2)c1F ZINC000411419117 558891542 /nfs/dbraw/zinc/89/15/42/558891542.db2.gz SDFSNNAWYQEOMV-LBPRGKRZSA-N 1 1 353.394 2.133 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411694969 558945755 /nfs/dbraw/zinc/94/57/55/558945755.db2.gz OMHXNQXDAIFTAO-CQSZACIVSA-N 1 1 367.471 2.464 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(S(=O)(=O)C2CC2)CC1 ZINC000411694969 558945756 /nfs/dbraw/zinc/94/57/56/558945756.db2.gz OMHXNQXDAIFTAO-CQSZACIVSA-N 1 1 367.471 2.464 20 5 FEBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411700817 558946855 /nfs/dbraw/zinc/94/68/55/558946855.db2.gz OBKYVHAVIBRZRH-INIZCTEOSA-N 1 1 362.430 2.304 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412210495 559020193 /nfs/dbraw/zinc/02/01/93/559020193.db2.gz DNLYDVBOJKVEEL-OKZBNKHCSA-N 1 1 361.442 2.051 20 5 FEBDMO CN(C)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413091893 559077212 /nfs/dbraw/zinc/07/72/12/559077212.db2.gz LIBOEBDNLVBAAV-UHFFFAOYSA-N 1 1 361.368 2.447 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1F ZINC000413168189 559084830 /nfs/dbraw/zinc/08/48/30/559084830.db2.gz MKRSYNWIPPDPNT-GXTWGEPZSA-N 1 1 351.378 2.028 20 5 FEBDMO COC(=O)c1cnc(N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000413533872 559114690 /nfs/dbraw/zinc/11/46/90/559114690.db2.gz QQFITYFMZAIXAV-CQSZACIVSA-N 1 1 370.409 2.487 20 5 FEBDMO COC(=O)c1cnc(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000413533872 559114692 /nfs/dbraw/zinc/11/46/92/559114692.db2.gz QQFITYFMZAIXAV-CQSZACIVSA-N 1 1 370.409 2.487 20 5 FEBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ncc([N+](=O)[O-])s1 ZINC000413540868 559115337 /nfs/dbraw/zinc/11/53/37/559115337.db2.gz VIUMECBXVLFFQD-HUUCEWRRSA-N 1 1 362.455 3.000 20 5 FEBDMO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000414470823 559167016 /nfs/dbraw/zinc/16/70/16/559167016.db2.gz NFXGEGJMRASDEH-ZZXKWVIFSA-N 1 1 365.455 2.108 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416304445 559304616 /nfs/dbraw/zinc/30/46/16/559304616.db2.gz HYADZUZKEUKKFP-BFYDXBDKSA-N 1 1 363.458 2.077 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416304445 559304617 /nfs/dbraw/zinc/30/46/17/559304617.db2.gz HYADZUZKEUKKFP-BFYDXBDKSA-N 1 1 363.458 2.077 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000416552739 559321427 /nfs/dbraw/zinc/32/14/27/559321427.db2.gz HYWUPNNXQGCNBF-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1C ZINC000416557504 559321647 /nfs/dbraw/zinc/32/16/47/559321647.db2.gz GYKKLKJMPDPPPB-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO COc1ccc(NC(=O)CCN2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420372440 559483739 /nfs/dbraw/zinc/48/37/39/559483739.db2.gz MHJVDRTXBICMOQ-GOSISDBHSA-N 1 1 362.430 2.008 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402123 559485720 /nfs/dbraw/zinc/48/57/20/559485720.db2.gz QGGKEEZZYOLKRN-GOEBONIOSA-N 1 1 374.441 2.357 20 5 FEBDMO CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000420467430 559489125 /nfs/dbraw/zinc/48/91/25/559489125.db2.gz SIMVMMZIHQAOEN-CQSZACIVSA-N 1 1 367.402 2.275 20 5 FEBDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420925186 559511585 /nfs/dbraw/zinc/51/15/85/559511585.db2.gz LDESIADTFBJDSY-UONOGXRCSA-N 1 1 365.430 2.199 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000420968931 559515158 /nfs/dbraw/zinc/51/51/58/559515158.db2.gz AUKBHFIBXNURBG-UHFFFAOYSA-N 1 1 363.439 2.048 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000420989642 559518078 /nfs/dbraw/zinc/51/80/78/559518078.db2.gz CNNXMTHNXHQPHD-AWEZNQCLSA-N 1 1 361.398 2.272 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421006722 559518937 /nfs/dbraw/zinc/51/89/37/559518937.db2.gz BPIWESHZQZHISL-ZIAGYGMSSA-N 1 1 365.430 2.415 20 5 FEBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423963608 559648211 /nfs/dbraw/zinc/64/82/11/559648211.db2.gz GFZMIOGCGQYWII-SFHVURJKSA-N 1 1 367.409 2.351 20 5 FEBDMO [NH3+]C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCN(Cc2ccccc2)CC1 ZINC000424022766 559651530 /nfs/dbraw/zinc/65/15/30/559651530.db2.gz UQLNBHZEJWOTBT-UHFFFAOYSA-N 1 1 374.466 2.380 20 5 FEBDMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425394309 559699792 /nfs/dbraw/zinc/69/97/92/559699792.db2.gz KLZLRIGECKRDOU-ONGXEEELSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425394309 559699793 /nfs/dbraw/zinc/69/97/93/559699793.db2.gz KLZLRIGECKRDOU-ONGXEEELSA-N 1 1 356.220 2.443 20 5 FEBDMO Cc1cc(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000433593064 559884720 /nfs/dbraw/zinc/88/47/20/559884720.db2.gz ITULOPUXKAQPAL-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO Cc1cc(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000433593064 559884721 /nfs/dbraw/zinc/88/47/21/559884721.db2.gz ITULOPUXKAQPAL-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO COc1cc(CN(C)CC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000435058431 559915359 /nfs/dbraw/zinc/91/53/59/559915359.db2.gz UFAHCXPYLQOETR-UHFFFAOYSA-N 1 1 367.446 2.155 20 5 FEBDMO COc1cc(CN(C)CC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000435058431 559915360 /nfs/dbraw/zinc/91/53/60/559915360.db2.gz UFAHCXPYLQOETR-UHFFFAOYSA-N 1 1 367.446 2.155 20 5 FEBDMO COCC[N@H+](C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436352446 559940441 /nfs/dbraw/zinc/94/04/41/559940441.db2.gz IBEDKRZXPSRVTQ-UHFFFAOYSA-N 1 1 371.412 2.128 20 5 FEBDMO COCC[N@@H+](C)CCNC(=O)c1cccc2c(=O)c3cccc(F)c3[nH]c12 ZINC000436352446 559940442 /nfs/dbraw/zinc/94/04/42/559940442.db2.gz IBEDKRZXPSRVTQ-UHFFFAOYSA-N 1 1 371.412 2.128 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441204893 560026293 /nfs/dbraw/zinc/02/62/93/560026293.db2.gz UMVXPCMTPPGLKV-CVEARBPZSA-N 1 1 359.426 2.232 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443330705 560080235 /nfs/dbraw/zinc/08/02/35/560080235.db2.gz DJFZZNNGTBXJPC-ZENOOKHLSA-N 1 1 365.430 2.413 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443330705 560080236 /nfs/dbraw/zinc/08/02/36/560080236.db2.gz DJFZZNNGTBXJPC-ZENOOKHLSA-N 1 1 365.430 2.413 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000448259691 560182110 /nfs/dbraw/zinc/18/21/10/560182110.db2.gz GGGNCHWQTOKDSW-HNNXBMFYSA-N 1 1 374.445 2.391 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000448925308 560207142 /nfs/dbraw/zinc/20/71/42/560207142.db2.gz NKSVHOZBHIYGCG-NSHDSACASA-N 1 1 351.378 2.489 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448958666 560208836 /nfs/dbraw/zinc/20/88/36/560208836.db2.gz ZPFDMFPLEWRHEO-HNNXBMFYSA-N 1 1 357.414 2.385 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931149 560245722 /nfs/dbraw/zinc/24/57/22/560245722.db2.gz NWWPSJHCIVUFDP-UKRRQHHQSA-N 1 1 357.414 2.193 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(Nc3cccc(C[NH+]4CCOCC4)c3)nc2c1 ZINC000450290632 560257349 /nfs/dbraw/zinc/25/73/49/560257349.db2.gz WWDVKIIFSMEXIV-UHFFFAOYSA-N 1 1 353.382 2.469 20 5 FEBDMO CCN1CC[NH+]([C@@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000450317377 560258475 /nfs/dbraw/zinc/25/84/75/560258475.db2.gz KFUXGYLGYJQRPK-OAHLLOKOSA-N 1 1 355.442 2.359 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2csc(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)n2)cc1 ZINC000450786023 560273202 /nfs/dbraw/zinc/27/32/02/560273202.db2.gz CJAWCRSJXUGXPP-GASCZTMLSA-N 1 1 360.439 2.993 20 5 FEBDMO CCOC(=O)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000450882130 560276641 /nfs/dbraw/zinc/27/66/41/560276641.db2.gz NEMMRFNJTGDLJJ-UHFFFAOYSA-N 1 1 359.386 2.200 20 5 FEBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451221171 560293966 /nfs/dbraw/zinc/29/39/66/560293966.db2.gz JGUARMLFQXDWGA-QWHCGFSZSA-N 1 1 365.393 2.252 20 5 FEBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000451221171 560293967 /nfs/dbraw/zinc/29/39/67/560293967.db2.gz JGUARMLFQXDWGA-QWHCGFSZSA-N 1 1 365.393 2.252 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@H](O)C[C@@H]3[C@H]3CCCOC3)n2)cc1 ZINC000451302254 560299078 /nfs/dbraw/zinc/29/90/78/560299078.db2.gz KDCQGLVUXZLNTC-NUEKZKHPSA-N 1 1 374.397 2.007 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409269 560305214 /nfs/dbraw/zinc/30/52/14/560305214.db2.gz AESAEOUJQDVBCI-NUJGCVRESA-N 1 1 359.426 2.109 20 5 FEBDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547201 560313922 /nfs/dbraw/zinc/31/39/22/560313922.db2.gz KNYDNKNTIDNVNQ-KYJSFNMBSA-N 1 1 361.442 2.458 20 5 FEBDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547201 560313923 /nfs/dbraw/zinc/31/39/23/560313923.db2.gz KNYDNKNTIDNVNQ-KYJSFNMBSA-N 1 1 361.442 2.458 20 5 FEBDMO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548034 560313930 /nfs/dbraw/zinc/31/39/30/560313930.db2.gz MBEZKCYMTPXPKW-AWEZNQCLSA-N 1 1 360.414 2.105 20 5 FEBDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549632 560314186 /nfs/dbraw/zinc/31/41/86/560314186.db2.gz PTJLHMAHDHFRHT-ZVZYQTTQSA-N 1 1 352.431 2.187 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909571 560336516 /nfs/dbraw/zinc/33/65/16/560336516.db2.gz XHWPNSMCNJXZIS-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000454200339 560434230 /nfs/dbraw/zinc/43/42/30/560434230.db2.gz OFHFOHYNFAHTKP-UHFFFAOYSA-N 1 1 363.462 2.441 20 5 FEBDMO COCC[N@@H+](C)CCNC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454448140 560444916 /nfs/dbraw/zinc/44/49/16/560444916.db2.gz WIUDTHIGSPOCLF-INIZCTEOSA-N 1 1 364.446 2.062 20 5 FEBDMO CNc1nc(C(=O)N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000456005144 560504239 /nfs/dbraw/zinc/50/42/39/560504239.db2.gz ARWSDQWKEXUPQD-LBPRGKRZSA-N 1 1 370.413 2.194 20 5 FEBDMO CNc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456055700 560505678 /nfs/dbraw/zinc/50/56/78/560505678.db2.gz TVXGZIKUWWYWMO-ZFWWWQNUSA-N 1 1 369.425 2.424 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000456907546 560537179 /nfs/dbraw/zinc/53/71/79/560537179.db2.gz VWSYJEQKRZREGG-UHFFFAOYSA-N 1 1 362.474 2.060 20 5 FEBDMO COc1cc(C(=O)NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000457199633 560555574 /nfs/dbraw/zinc/55/55/74/560555574.db2.gz KWZPGFMFPREHQO-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000458221344 560609720 /nfs/dbraw/zinc/60/97/20/560609720.db2.gz ZMYUBENYBGQISP-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458728036 560644166 /nfs/dbraw/zinc/64/41/66/560644166.db2.gz QJELZWLFSRVBTH-GJZGRUSLSA-N 1 1 364.446 2.456 20 5 FEBDMO O=C1[C@H]([N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656447 560700488 /nfs/dbraw/zinc/70/04/88/560700488.db2.gz DXGJWKZQNVZBEO-BBWFWOEESA-N 1 1 357.410 2.201 20 5 FEBDMO C[C@H](C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459817475 560710691 /nfs/dbraw/zinc/71/06/91/560710691.db2.gz XHYNUOLLMHUKLO-LLVKDONJSA-N 1 1 351.403 2.103 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000461465391 560772626 /nfs/dbraw/zinc/77/26/26/560772626.db2.gz FJPIGCZDFUPGLB-HNNXBMFYSA-N 1 1 357.414 2.350 20 5 FEBDMO CC[NH+]1CCC(CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000462413980 560809227 /nfs/dbraw/zinc/80/92/27/560809227.db2.gz YFGUNHMGVCIXKU-UHFFFAOYSA-N 1 1 359.423 2.134 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000464858491 560853611 /nfs/dbraw/zinc/85/36/11/560853611.db2.gz WWJBHZTULRILPL-CZUORRHYSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984004 560877637 /nfs/dbraw/zinc/87/76/37/560877637.db2.gz RVISQRFZJPNVPE-GJZGRUSLSA-N 1 1 363.462 2.487 20 5 FEBDMO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000468113385 560922645 /nfs/dbraw/zinc/92/26/45/560922645.db2.gz MGPNFDOAOBBUCA-GXFFZTMASA-N 1 1 352.341 2.050 20 5 FEBDMO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000468113385 560922646 /nfs/dbraw/zinc/92/26/46/560922646.db2.gz MGPNFDOAOBBUCA-GXFFZTMASA-N 1 1 352.341 2.050 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000468702406 560936592 /nfs/dbraw/zinc/93/65/92/560936592.db2.gz AYSINLZKOKHZIM-LBPRGKRZSA-N 1 1 353.444 2.427 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000468702406 560936593 /nfs/dbraw/zinc/93/65/93/560936593.db2.gz AYSINLZKOKHZIM-LBPRGKRZSA-N 1 1 353.444 2.427 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCO1 ZINC000470063885 560973171 /nfs/dbraw/zinc/97/31/71/560973171.db2.gz AQEBAJFWKMJMNL-LBPRGKRZSA-N 1 1 355.822 2.479 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470126670 560974777 /nfs/dbraw/zinc/97/47/77/560974777.db2.gz SJZVJCQTJWCTST-UHFFFAOYSA-N 1 1 354.382 2.044 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470151121 560975609 /nfs/dbraw/zinc/97/56/09/560975609.db2.gz ZMMMDXXGPFBRKG-ZDUSSCGKSA-N 1 1 367.425 2.129 20 5 FEBDMO CCNS(=O)(=O)[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470217521 560976777 /nfs/dbraw/zinc/97/67/77/560976777.db2.gz GVXIXFHOXURGBW-LRFDDAOPSA-N 1 1 353.444 2.012 20 5 FEBDMO CCNS(=O)(=O)[C@@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470217521 560976778 /nfs/dbraw/zinc/97/67/78/560976778.db2.gz GVXIXFHOXURGBW-LRFDDAOPSA-N 1 1 353.444 2.012 20 5 FEBDMO Cc1nn(CCC(=O)NCC[N@H+]2CCCC(C)(C)C2)c(C)c1[N+](=O)[O-] ZINC000470302312 560978237 /nfs/dbraw/zinc/97/82/37/560978237.db2.gz LBWKNYVCQVNKMY-UHFFFAOYSA-N 1 1 351.451 2.036 20 5 FEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470821318 560990612 /nfs/dbraw/zinc/99/06/12/560990612.db2.gz MSWOQWKQQFMLRM-HOTGVXAUSA-N 1 1 359.405 2.429 20 5 FEBDMO CC[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471690231 561010445 /nfs/dbraw/zinc/01/04/45/561010445.db2.gz WKIBSEWVQIKQBW-JKSUJKDBSA-N 1 1 359.430 2.420 20 5 FEBDMO CC[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471690231 561010446 /nfs/dbraw/zinc/01/04/46/561010446.db2.gz WKIBSEWVQIKQBW-JKSUJKDBSA-N 1 1 359.430 2.420 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472628788 561031364 /nfs/dbraw/zinc/03/13/64/561031364.db2.gz JTUZZHJKRVVYOK-AWEZNQCLSA-N 1 1 366.393 2.053 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472637209 561031585 /nfs/dbraw/zinc/03/15/85/561031585.db2.gz LPAAKYNEOBLJIF-AWEZNQCLSA-N 1 1 366.393 2.005 20 5 FEBDMO Cc1cc(NCC[N@@H+]2CCOCC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000476547452 561122199 /nfs/dbraw/zinc/12/21/99/561122199.db2.gz HIRTZMUJJVWYNG-UHFFFAOYSA-N 1 1 371.441 2.305 20 5 FEBDMO Cc1cc(NCC[N@H+]2CCOCC2(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000476547452 561122200 /nfs/dbraw/zinc/12/22/00/561122200.db2.gz HIRTZMUJJVWYNG-UHFFFAOYSA-N 1 1 371.441 2.305 20 5 FEBDMO Cc1cc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)n(C2CC[NH+](C)CC2)n1 ZINC000476893549 561131334 /nfs/dbraw/zinc/13/13/34/561131334.db2.gz MBUMLESKOWDEOJ-UHFFFAOYSA-N 1 1 359.386 2.324 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000533309672 562504780 /nfs/dbraw/zinc/50/47/80/562504780.db2.gz VAFIFZSWMLAAOI-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000533449893 562509362 /nfs/dbraw/zinc/50/93/62/562509362.db2.gz MYIWASVVBOZMIX-CYBMUJFWSA-N 1 1 363.414 2.421 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000536505423 562577166 /nfs/dbraw/zinc/57/71/66/562577166.db2.gz YDKXFPFKKWLFJZ-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO CCOC(=O)C[C@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000541332674 562609555 /nfs/dbraw/zinc/60/95/55/562609555.db2.gz SLLWCOORZHARFZ-LBPRGKRZSA-N 1 1 365.386 2.166 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000569614887 568410145 /nfs/dbraw/zinc/41/01/45/568410145.db2.gz UDZVSJYTEFTQJW-CQSZACIVSA-N 1 1 351.403 2.150 20 5 FEBDMO COc1ccc(CC(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000569904051 568435587 /nfs/dbraw/zinc/43/55/87/568435587.db2.gz ZPOBGYWKAWBXTR-INIZCTEOSA-N 1 1 355.394 2.319 20 5 FEBDMO COC(=O)c1cc(C)nc(NCC[N@H+]2CCCC(C)(C)C2)c1[N+](=O)[O-] ZINC000557674999 674460494 /nfs/dbraw/zinc/46/04/94/674460494.db2.gz DNVAOWHUEXSFFP-UHFFFAOYSA-N 1 1 350.419 2.619 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000809968517 674522680 /nfs/dbraw/zinc/52/26/80/674522680.db2.gz DDMRAAXQDXHWQY-KRWDZBQOSA-N 1 1 352.410 2.335 20 5 FEBDMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821000886 606224491 /nfs/dbraw/zinc/22/44/91/606224491.db2.gz KXJSUPHBZCBIBA-JSGCOSHPSA-N 1 1 357.418 2.228 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430997 674744507 /nfs/dbraw/zinc/74/45/07/674744507.db2.gz YXHKXLRBUOMMDD-WDEREUQCSA-N 1 1 374.224 2.495 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815033491 674903957 /nfs/dbraw/zinc/90/39/57/674903957.db2.gz JDLSGNUXXGOXOI-UHFFFAOYSA-N 1 1 365.814 2.102 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000564353312 674999652 /nfs/dbraw/zinc/99/96/52/674999652.db2.gz ACPCRNHGBYLASD-GFCCVEGCSA-N 1 1 359.448 2.002 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3cc(F)ccc3Cl)C[C@@H]2C1 ZINC001048814538 675015465 /nfs/dbraw/zinc/01/54/65/675015465.db2.gz QOPIEDPCPOINNV-FAXLKDOZSA-N 1 1 367.808 2.035 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000816645352 675070364 /nfs/dbraw/zinc/07/03/64/675070364.db2.gz RRUOZTNNYFENSK-UHFFFAOYSA-N 1 1 350.371 2.110 20 5 FEBDMO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000569512242 670571683 /nfs/dbraw/zinc/57/16/83/670571683.db2.gz DZSOLHIJCKPLCH-MRXNPFEDSA-N 1 1 361.423 2.409 20 5 FEBDMO Cc1c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000115436921 670897526 /nfs/dbraw/zinc/89/75/26/670897526.db2.gz HQPFCGCWPHBFJA-LBPRGKRZSA-N 1 1 350.375 2.225 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000565922589 675161215 /nfs/dbraw/zinc/16/12/15/675161215.db2.gz MAXDQCFRJXXJHI-HNNXBMFYSA-N 1 1 350.419 2.390 20 5 FEBDMO CC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@H](C)C1 ZINC000573943490 671184687 /nfs/dbraw/zinc/18/46/87/671184687.db2.gz GEFSMFGFWOBFSJ-LLVKDONJSA-N 1 1 370.247 2.452 20 5 FEBDMO C[C@@H]([NH3+])C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000578322829 671657150 /nfs/dbraw/zinc/65/71/50/671657150.db2.gz MZUFGLCIWQEMSM-RNFRBKRXSA-N 1 1 356.231 2.306 20 5 FEBDMO CCC[N@@H+](C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000578348961 671658771 /nfs/dbraw/zinc/65/87/71/671658771.db2.gz ZFLOALZOKPYGMR-ZDUSSCGKSA-N 1 1 364.837 2.537 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000609545776 675925682 /nfs/dbraw/zinc/92/56/82/675925682.db2.gz OTBPQTKLTIHUAN-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000609545776 675925684 /nfs/dbraw/zinc/92/56/84/675925684.db2.gz OTBPQTKLTIHUAN-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO COCc1nc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])cs1 ZINC000578981478 671703263 /nfs/dbraw/zinc/70/32/63/671703263.db2.gz FETRNGUBIMCTJM-UHFFFAOYSA-N 1 1 350.400 2.316 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000579516488 671741647 /nfs/dbraw/zinc/74/16/47/671741647.db2.gz NAGUOWUKLSAQFO-KCQAQPDRSA-N 1 1 351.451 2.198 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000610135257 675956200 /nfs/dbraw/zinc/95/62/00/675956200.db2.gz NXGHOGJUBHNIIG-OLZOCXBDSA-N 1 1 371.459 2.097 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000587971918 672442950 /nfs/dbraw/zinc/44/29/50/672442950.db2.gz ICQDJAIRMXRNMU-CYBMUJFWSA-N 1 1 351.403 2.213 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611185337 676023845 /nfs/dbraw/zinc/02/38/45/676023845.db2.gz YRZOQLCMCXGVEG-AOOOYVTPSA-N 1 1 373.253 2.429 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611185337 676023847 /nfs/dbraw/zinc/02/38/47/676023847.db2.gz YRZOQLCMCXGVEG-AOOOYVTPSA-N 1 1 373.253 2.429 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589493476 672528973 /nfs/dbraw/zinc/52/89/73/672528973.db2.gz CRPGBCHQGMNWSF-ZDUSSCGKSA-N 1 1 350.371 2.157 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589493476 672528975 /nfs/dbraw/zinc/52/89/75/672528975.db2.gz CRPGBCHQGMNWSF-ZDUSSCGKSA-N 1 1 350.371 2.157 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000590444958 672583333 /nfs/dbraw/zinc/58/33/33/672583333.db2.gz OLQDDGVOEWUURK-ZANVPECISA-N 1 1 354.204 2.133 20 5 FEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COC[C@@H]1CCCO1 ZINC000192586811 672695717 /nfs/dbraw/zinc/69/57/17/672695717.db2.gz WPAJLDIIURZWLG-GJZGRUSLSA-N 1 1 358.822 2.237 20 5 FEBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COC[C@@H]1CCCO1 ZINC000192586811 672695720 /nfs/dbraw/zinc/69/57/20/672695720.db2.gz WPAJLDIIURZWLG-GJZGRUSLSA-N 1 1 358.822 2.237 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC000593339048 672910333 /nfs/dbraw/zinc/91/03/33/672910333.db2.gz NIEZTZJJPIHLDU-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC000593339048 672910335 /nfs/dbraw/zinc/91/03/35/672910335.db2.gz NIEZTZJJPIHLDU-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO CC(C)C[N@@H+](C)CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000593616821 672959064 /nfs/dbraw/zinc/95/90/64/672959064.db2.gz QSTNZGXNJBVUDJ-UHFFFAOYSA-N 1 1 357.476 2.035 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594483233 673087309 /nfs/dbraw/zinc/08/73/09/673087309.db2.gz DKKNWRFFNVFAHC-CVEARBPZSA-N 1 1 353.444 2.031 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594484374 673088439 /nfs/dbraw/zinc/08/84/39/673088439.db2.gz QJUOVQVGWIICJW-KGLIPLIRSA-N 1 1 357.407 2.029 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000594788886 673142377 /nfs/dbraw/zinc/14/23/77/673142377.db2.gz HQHDKNACJAEQMQ-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000594788886 673142381 /nfs/dbraw/zinc/14/23/81/673142381.db2.gz HQHDKNACJAEQMQ-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000594788901 673142486 /nfs/dbraw/zinc/14/24/86/673142486.db2.gz HZTHZXXJOPIKHA-CQSZACIVSA-N 1 1 355.460 2.308 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000594788901 673142488 /nfs/dbraw/zinc/14/24/88/673142488.db2.gz HZTHZXXJOPIKHA-CQSZACIVSA-N 1 1 355.460 2.308 20 5 FEBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594793055 673144528 /nfs/dbraw/zinc/14/45/28/673144528.db2.gz TXEOPRRMJRZWLZ-NSHDSACASA-N 1 1 361.851 2.399 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594793055 673144532 /nfs/dbraw/zinc/14/45/32/673144532.db2.gz TXEOPRRMJRZWLZ-NSHDSACASA-N 1 1 361.851 2.399 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CCN1CCN(C)CC1 ZINC000595031722 673187912 /nfs/dbraw/zinc/18/79/12/673187912.db2.gz CBMXTMCEHJWUGG-HUUCEWRRSA-N 1 1 350.463 2.280 20 5 FEBDMO C[N@@H+](CCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000596070448 673355823 /nfs/dbraw/zinc/35/58/23/673355823.db2.gz CTUPXZRXXWYECY-UHFFFAOYSA-N 1 1 370.475 2.309 20 5 FEBDMO CCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000596179824 673365697 /nfs/dbraw/zinc/36/56/97/673365697.db2.gz UFIBDBSZDGECOS-AWEZNQCLSA-N 1 1 350.419 2.229 20 5 FEBDMO Nc1c(F)c(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)ccc1[N+](=O)[O-] ZINC000596514906 673390809 /nfs/dbraw/zinc/39/08/09/673390809.db2.gz MLKMWWSWXMBXCW-ZIAGYGMSSA-N 1 1 350.394 2.371 20 5 FEBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1csc([N+](=O)[O-])c1 ZINC000597991786 673527469 /nfs/dbraw/zinc/52/74/69/673527469.db2.gz RDYHDONWSWBMDP-OAHLLOKOSA-N 1 1 361.423 2.153 20 5 FEBDMO Nc1c(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000598559857 673583457 /nfs/dbraw/zinc/58/34/57/673583457.db2.gz IVBRZBXBKAONQK-GFCCVEGCSA-N 1 1 350.394 2.168 20 5 FEBDMO COCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000542506747 673587178 /nfs/dbraw/zinc/58/71/78/673587178.db2.gz POBWSUDMYXHSSI-SNVBAGLBSA-N 1 1 359.224 2.193 20 5 FEBDMO COCC[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000542506747 673587180 /nfs/dbraw/zinc/58/71/80/673587180.db2.gz POBWSUDMYXHSSI-SNVBAGLBSA-N 1 1 359.224 2.193 20 5 FEBDMO NS(=O)(=O)c1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000599127998 673635257 /nfs/dbraw/zinc/63/52/57/673635257.db2.gz UAQIEGQDYRQUKC-CQSZACIVSA-N 1 1 368.459 2.061 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543644506 673658583 /nfs/dbraw/zinc/65/85/83/673658583.db2.gz LIUHWPSLPDQHOT-CYBMUJFWSA-N 1 1 354.382 2.212 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000543677043 673660962 /nfs/dbraw/zinc/66/09/62/673660962.db2.gz WXJBZYFYOVDDHG-JSGCOSHPSA-N 1 1 355.460 2.315 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000599389855 673668023 /nfs/dbraw/zinc/66/80/23/673668023.db2.gz DJWJWEKXEWOBFX-QGZVFWFLSA-N 1 1 367.471 2.421 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599414186 673672372 /nfs/dbraw/zinc/67/23/72/673672372.db2.gz ABAITKIFSVYMGN-CYBMUJFWSA-N 1 1 355.460 2.167 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599415217 673672804 /nfs/dbraw/zinc/67/28/04/673672804.db2.gz LKGCFYKIWFYLOL-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741720664 673695503 /nfs/dbraw/zinc/69/55/03/673695503.db2.gz ISUCSCUCRIMOPU-JOYOIKCWSA-N 1 1 350.375 2.332 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599693542 673707028 /nfs/dbraw/zinc/70/70/28/673707028.db2.gz YCMTVHWAVVCNNS-NSHDSACASA-N 1 1 361.851 2.009 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599693542 673707029 /nfs/dbraw/zinc/70/70/29/673707029.db2.gz YCMTVHWAVVCNNS-NSHDSACASA-N 1 1 361.851 2.009 20 5 FEBDMO CC(C)(C)c1ccc(NC(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599787481 673717336 /nfs/dbraw/zinc/71/73/36/673717336.db2.gz UXJVNFNZGAPLFX-CYBMUJFWSA-N 1 1 350.419 2.080 20 5 FEBDMO COC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000743871452 673774460 /nfs/dbraw/zinc/77/44/60/673774460.db2.gz FWLXLDAIIGIHLL-UHFFFAOYSA-N 1 1 352.387 2.148 20 5 FEBDMO COC(=O)c1c(Cl)c(N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000601184051 673831655 /nfs/dbraw/zinc/83/16/55/673831655.db2.gz GCQQWSHPGRYVMC-WDEREUQCSA-N 1 1 353.806 2.423 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601347355 673846257 /nfs/dbraw/zinc/84/62/57/673846257.db2.gz IYCNXGPNKRFZNQ-GFCCVEGCSA-N 1 1 359.423 2.005 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601355911 673847212 /nfs/dbraw/zinc/84/72/12/673847212.db2.gz BAJAHIOBTPIOPN-WCQYABFASA-N 1 1 359.423 2.003 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372044 673850053 /nfs/dbraw/zinc/85/00/53/673850053.db2.gz QMEMYIPOGBKCOP-GXTWGEPZSA-N 1 1 371.434 2.147 20 5 FEBDMO COCCNC(=O)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746655822 673888665 /nfs/dbraw/zinc/88/86/65/673888665.db2.gz QNIIJUIPAOFGGQ-UHFFFAOYSA-N 1 1 355.822 2.223 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000603110707 673917350 /nfs/dbraw/zinc/91/73/50/673917350.db2.gz PHPUPCYOHNOUQR-HUUCEWRRSA-N 1 1 367.833 2.477 20 5 FEBDMO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000567252861 675278999 /nfs/dbraw/zinc/27/89/99/675278999.db2.gz RAQPAQXYNKRLJA-GFCCVEGCSA-N 1 1 350.419 2.082 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000567317465 675283512 /nfs/dbraw/zinc/28/35/12/675283512.db2.gz SYJXVGABXYLTDX-ZDUSSCGKSA-N 1 1 350.419 2.078 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)SC[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000567849390 675329033 /nfs/dbraw/zinc/32/90/33/675329033.db2.gz XBOYHHSBVZRKFZ-CHWSQXEVSA-N 1 1 353.444 2.294 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)SC[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000567849390 675329035 /nfs/dbraw/zinc/32/90/35/675329035.db2.gz XBOYHHSBVZRKFZ-CHWSQXEVSA-N 1 1 353.444 2.294 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000823133838 675531353 /nfs/dbraw/zinc/53/13/53/675531353.db2.gz VYDWLJMVXNOACF-JTQLQIEISA-N 1 1 354.794 2.031 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1C ZINC000827573791 675765784 /nfs/dbraw/zinc/76/57/84/675765784.db2.gz OXCGPFMTMHUWTD-NEPJUHHUSA-N 1 1 352.410 2.355 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@@H]1C ZINC000827573798 675766100 /nfs/dbraw/zinc/76/61/00/675766100.db2.gz OXCGPFMTMHUWTD-RYUDHWBXSA-N 1 1 352.410 2.355 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(Cl)c1 ZINC000603424495 675799116 /nfs/dbraw/zinc/79/91/16/675799116.db2.gz YOBBMENGLVANAE-AWEZNQCLSA-N 1 1 368.865 2.457 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000604573588 675806390 /nfs/dbraw/zinc/80/63/90/675806390.db2.gz WMPLOWBEXLPETO-CQSZACIVSA-N 1 1 351.378 2.061 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000618460396 676340578 /nfs/dbraw/zinc/34/05/78/676340578.db2.gz GHRBULOXWQQMPA-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000618460396 676340580 /nfs/dbraw/zinc/34/05/80/676340580.db2.gz GHRBULOXWQQMPA-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000618460396 676340581 /nfs/dbraw/zinc/34/05/81/676340581.db2.gz GHRBULOXWQQMPA-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619251981 676369028 /nfs/dbraw/zinc/36/90/28/676369028.db2.gz DBLDETYJRMFCOW-LSDHHAIUSA-N 1 1 355.797 2.435 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000619487135 676380302 /nfs/dbraw/zinc/38/03/02/676380302.db2.gz DRZOKYPUWQYDNI-ZDUSSCGKSA-N 1 1 371.459 2.098 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000830269565 677032978 /nfs/dbraw/zinc/03/29/78/677032978.db2.gz YCEYISZLTYTSKM-UHFFFAOYSA-N 1 1 363.805 2.381 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000839799592 680779898 /nfs/dbraw/zinc/77/98/98/680779898.db2.gz QONOFVJAFIDZEZ-GFCCVEGCSA-N 1 1 350.375 2.273 20 5 FEBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000831724337 680032900 /nfs/dbraw/zinc/03/29/00/680032900.db2.gz VDDCZGYEEXOFJP-JRPNMDOOSA-N 1 1 352.822 2.211 20 5 FEBDMO CCOc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC001020140068 680101077 /nfs/dbraw/zinc/10/10/77/680101077.db2.gz WPHMRLLWLDXJJR-RTWAVKEYSA-N 1 1 367.833 2.141 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000832764078 680174189 /nfs/dbraw/zinc/17/41/89/680174189.db2.gz IFIIPABWVHJTEV-LBPRGKRZSA-N 1 1 359.423 2.146 20 5 FEBDMO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCc1cccs1)C2 ZINC000982278412 680274365 /nfs/dbraw/zinc/27/43/65/680274365.db2.gz BLPSUKCSCAAENA-AHCXZYCDSA-N 1 1 363.483 2.126 20 5 FEBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCc1cccs1)C2 ZINC000982278412 680274369 /nfs/dbraw/zinc/27/43/69/680274369.db2.gz BLPSUKCSCAAENA-AHCXZYCDSA-N 1 1 363.483 2.126 20 5 FEBDMO C[C@]12CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@@]1(C)C[N@@H+](CCc1cccs1)C2 ZINC000982278412 680274372 /nfs/dbraw/zinc/27/43/72/680274372.db2.gz BLPSUKCSCAAENA-AHCXZYCDSA-N 1 1 363.483 2.126 20 5 FEBDMO O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC(F)(F)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034645270 680436517 /nfs/dbraw/zinc/43/65/17/680436517.db2.gz QRUSWYHPAUXIPZ-KBUPBQIOSA-N 1 1 359.417 2.494 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1Cl ZINC000836779372 680512999 /nfs/dbraw/zinc/51/29/99/680512999.db2.gz GFYREIKXOFGWDN-UHFFFAOYSA-N 1 1 369.849 2.475 20 5 FEBDMO CCOc1cc(C(=O)OCC[NH+]2CCSCC2)c([N+](=O)[O-])cc1OC ZINC000757945675 680544531 /nfs/dbraw/zinc/54/45/31/680544531.db2.gz NEABXRLSEFAQQJ-UHFFFAOYSA-N 1 1 370.427 2.208 20 5 FEBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001005376913 680573235 /nfs/dbraw/zinc/57/32/35/680573235.db2.gz WWECAISOUJEFRV-HZPDHXFCSA-N 1 1 351.834 2.428 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000759109469 680627575 /nfs/dbraw/zinc/62/75/75/680627575.db2.gz XMKQQIZVUWQYGA-AAEUAGOBSA-N 1 1 373.450 2.441 20 5 FEBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841596713 680902838 /nfs/dbraw/zinc/90/28/38/680902838.db2.gz UVFWZSVJPHSHQA-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841596713 680902841 /nfs/dbraw/zinc/90/28/41/680902841.db2.gz UVFWZSVJPHSHQA-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO CC[NH2+]Cc1noc(-c2ccc([N+](=O)[O-])cc2I)n1 ZINC000843141071 680989582 /nfs/dbraw/zinc/98/95/82/680989582.db2.gz JBUHZTIHHFGXLY-UHFFFAOYSA-N 1 1 374.138 2.359 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000770155393 681007523 /nfs/dbraw/zinc/00/75/23/681007523.db2.gz ADESOYWGGNRGRN-UHFFFAOYSA-N 1 1 373.203 2.236 20 5 FEBDMO Cc1nsc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001050326377 681045207 /nfs/dbraw/zinc/04/52/07/681045207.db2.gz ZYJYRGAFZAYMDS-IXYNUQLISA-N 1 1 366.487 2.190 20 5 FEBDMO CS(=O)(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000846035011 681176101 /nfs/dbraw/zinc/17/61/01/681176101.db2.gz SKRJBSRWYXJXNC-SNVBAGLBSA-N 1 1 368.242 2.025 20 5 FEBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000846290341 681220734 /nfs/dbraw/zinc/22/07/34/681220734.db2.gz ADVDELUUIFYJKN-UHFFFAOYSA-N 1 1 351.432 2.307 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000775561799 681314648 /nfs/dbraw/zinc/31/46/48/681314648.db2.gz WEUQRSJLWBZMAQ-LBPRGKRZSA-N 1 1 355.822 2.317 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934337743 681554874 /nfs/dbraw/zinc/55/48/74/681554874.db2.gz USASEVHNFQOTJS-ZFWWWQNUSA-N 1 1 363.439 2.356 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1F ZINC000848508644 681566300 /nfs/dbraw/zinc/56/63/00/681566300.db2.gz OVRGPGRENOEJOH-UONOGXRCSA-N 1 1 371.434 2.338 20 5 FEBDMO CCNS(=O)(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000779102231 681679765 /nfs/dbraw/zinc/67/97/65/681679765.db2.gz IGYVPVDPFJOXOG-KRWDZBQOSA-N 1 1 363.439 2.213 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000849420112 681726028 /nfs/dbraw/zinc/72/60/28/681726028.db2.gz RBWHUWFQJQPYMV-LLVKDONJSA-N 1 1 361.851 2.399 20 5 FEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000853688266 682456528 /nfs/dbraw/zinc/45/65/28/682456528.db2.gz KSSVUXWUVNJSBE-UHFFFAOYSA-N 1 1 350.375 2.194 20 5 FEBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000854568134 682565371 /nfs/dbraw/zinc/56/53/71/682565371.db2.gz IELGZWXQFZQPIJ-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1Cl ZINC000856254411 682758459 /nfs/dbraw/zinc/75/84/59/682758459.db2.gz BNAVEGGKDRMGKH-CYBMUJFWSA-N 1 1 367.833 2.228 20 5 FEBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342956 683392580 /nfs/dbraw/zinc/39/25/80/683392580.db2.gz FQCPLQKAGJZDHP-DYVFJYSZSA-N 1 1 351.403 2.049 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000863498346 683735010 /nfs/dbraw/zinc/73/50/10/683735010.db2.gz HAPZSGDADIXNTJ-LBPRGKRZSA-N 1 1 357.357 2.415 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865608178 684004355 /nfs/dbraw/zinc/00/43/55/684004355.db2.gz DHRDEXBFFZTEOL-GFCCVEGCSA-N 1 1 370.247 2.358 20 5 FEBDMO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000865998322 684058599 /nfs/dbraw/zinc/05/85/99/684058599.db2.gz CKRBIALRQBJCOQ-VIFPVBQESA-N 1 1 359.224 2.009 20 5 FEBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C1 ZINC000865998322 684058604 /nfs/dbraw/zinc/05/86/04/684058604.db2.gz CKRBIALRQBJCOQ-VIFPVBQESA-N 1 1 359.224 2.009 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869778818 684654623 /nfs/dbraw/zinc/65/46/23/684654623.db2.gz KKOMEQGXCRJPGE-LBPRGKRZSA-N 1 1 367.471 2.282 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1-c1nnc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)o1 ZINC000872319224 684936964 /nfs/dbraw/zinc/93/69/64/684936964.db2.gz BFCWGPXCZLUJQU-AOOOYVTPSA-N 1 1 350.762 2.376 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000872662240 684999678 /nfs/dbraw/zinc/99/96/78/684999678.db2.gz HAPVKSVRJBFFGF-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO COCCN(Cc1ccc([N+](=O)[O-])cc1OC)CC1CC[NH+](C)CC1 ZINC000879126921 686747668 /nfs/dbraw/zinc/74/76/68/686747668.db2.gz ONFFPHYRNRVOLO-UHFFFAOYSA-N 1 1 351.447 2.394 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000879575051 686860922 /nfs/dbraw/zinc/86/09/22/686860922.db2.gz ILCZEUOIKSWDFM-ABAIWWIYSA-N 1 1 352.822 2.213 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583417 686863692 /nfs/dbraw/zinc/86/36/92/686863692.db2.gz YUUONQVVUHQOKW-WBMJQRKESA-N 1 1 350.394 2.089 20 5 FEBDMO Cc1c(Cl)ccc2c1C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000879768949 686905944 /nfs/dbraw/zinc/90/59/44/686905944.db2.gz KOTGVXZCSHNVTN-AWEZNQCLSA-N 1 1 350.806 2.172 20 5 FEBDMO CC1(C)[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000880502345 687054931 /nfs/dbraw/zinc/05/49/31/687054931.db2.gz JDYXZQXYSSQXIM-GJZGRUSLSA-N 1 1 367.833 2.477 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884959217 687975592 /nfs/dbraw/zinc/97/55/92/687975592.db2.gz JVAJMSZUQBZDLY-KBPBESRZSA-N 1 1 353.444 2.062 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000884959454 687975973 /nfs/dbraw/zinc/97/59/73/687975973.db2.gz LOYQMUSWMYNXTR-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]2C1 ZINC000895576843 689738740 /nfs/dbraw/zinc/73/87/40/689738740.db2.gz UCBUAHLHVWGCJT-BETUJISGSA-N 1 1 355.341 2.106 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]2C1 ZINC000895576843 689738744 /nfs/dbraw/zinc/73/87/44/689738744.db2.gz UCBUAHLHVWGCJT-BETUJISGSA-N 1 1 355.341 2.106 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000900598940 690537227 /nfs/dbraw/zinc/53/72/27/690537227.db2.gz ARFIBDCYZKVGMY-OCCSQVGLSA-N 1 1 371.796 2.059 20 5 FEBDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000900837397 690571861 /nfs/dbraw/zinc/57/18/61/690571861.db2.gz GICOIBBJOLIYRX-IAGOWNOFSA-N 1 1 365.455 2.016 20 5 FEBDMO C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000906580680 691287246 /nfs/dbraw/zinc/28/72/46/691287246.db2.gz HLOVGNSCLOKHFZ-OLZOCXBDSA-N 1 1 369.849 2.406 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000908418618 691676412 /nfs/dbraw/zinc/67/64/12/691676412.db2.gz QKJYZQRKYHNAOZ-UONOGXRCSA-N 1 1 371.796 2.323 20 5 FEBDMO COc1cnc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c([N+](=O)[O-])c1 ZINC001164649608 719310396 /nfs/dbraw/zinc/31/03/96/719310396.db2.gz PODKMWKWTYYRJC-UHFFFAOYSA-N 1 1 374.445 2.400 20 5 FEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001164814831 720099482 /nfs/dbraw/zinc/09/94/82/720099482.db2.gz WZSFYKJDROZJGN-KSSFIOAISA-N 1 1 364.421 2.314 20 5 FEBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc([N+](=O)[O-])c(N)n1)[C@H]2C ZINC001164858989 720975751 /nfs/dbraw/zinc/97/57/51/720975751.db2.gz JSWFZLZYYTYSCD-LBPRGKRZSA-N 1 1 359.434 2.190 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932682 721860748 /nfs/dbraw/zinc/86/07/48/721860748.db2.gz ZLEPRCGLUVIEIM-CVEARBPZSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932682 721860750 /nfs/dbraw/zinc/86/07/50/721860750.db2.gz ZLEPRCGLUVIEIM-CVEARBPZSA-N 1 1 355.442 2.358 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000032732350 539949961 /nfs/dbraw/zinc/94/99/61/539949961.db2.gz USFVDQUIQVHMJL-STQMWFEESA-N 1 1 363.414 2.374 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000550427359 674095247 /nfs/dbraw/zinc/09/52/47/674095247.db2.gz OAWXMPAXEJKQFS-ZDUSSCGKSA-N 1 1 360.336 2.365 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1C ZINC000046036523 540238549 /nfs/dbraw/zinc/23/85/49/540238549.db2.gz LJAQDDOLCCSSBW-LSDHHAIUSA-N 1 1 353.444 2.117 20 5 FEBDMO CC[NH+]1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000047795987 540329256 /nfs/dbraw/zinc/32/92/56/540329256.db2.gz NZPLOJIGYNHUKD-UHFFFAOYSA-N 1 1 361.320 2.314 20 5 FEBDMO COc1ccccc1OCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000051424419 540433713 /nfs/dbraw/zinc/43/37/13/540433713.db2.gz WZTCZUHEXHCGDS-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000052753020 540487728 /nfs/dbraw/zinc/48/77/28/540487728.db2.gz AYIAOKDAUAHPRN-ZDUSSCGKSA-N 1 1 363.414 2.433 20 5 FEBDMO CNC(=O)c1ccc(NC[C@H](CC(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000053556361 540543172 /nfs/dbraw/zinc/54/31/72/540543172.db2.gz HDBOTGNIJGYKON-HNNXBMFYSA-N 1 1 364.446 2.113 20 5 FEBDMO CCOCCCNC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174899 540573096 /nfs/dbraw/zinc/57/30/96/540573096.db2.gz CYGXXHBGMBQPGJ-UHFFFAOYSA-N 1 1 355.460 2.411 20 5 FEBDMO C[C@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000056385237 540722688 /nfs/dbraw/zinc/72/26/88/540722688.db2.gz QATYTLNOOIDZPG-ZNMIVQPWSA-N 1 1 364.446 2.454 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCn1cc[nH+]c1C ZINC000065792416 541262288 /nfs/dbraw/zinc/26/22/88/541262288.db2.gz GSVPZTJCAKCSGP-UHFFFAOYSA-N 1 1 352.416 2.031 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000065844114 541266285 /nfs/dbraw/zinc/26/62/85/541266285.db2.gz OYCJGOBAYUYOTE-UHFFFAOYSA-N 1 1 371.441 2.143 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000068800864 541629817 /nfs/dbraw/zinc/62/98/17/541629817.db2.gz ZUHGANOWNXEUJJ-UHFFFAOYSA-N 1 1 363.414 2.328 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000069857318 541718388 /nfs/dbraw/zinc/71/83/88/541718388.db2.gz FEDWIOQBJVXXNR-QGZVFWFLSA-N 1 1 363.458 2.408 20 5 FEBDMO CCN(C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000072630050 541841624 /nfs/dbraw/zinc/84/16/24/541841624.db2.gz VPWZYTWFTYNANH-CYBMUJFWSA-N 1 1 355.460 2.402 20 5 FEBDMO C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664901 541847838 /nfs/dbraw/zinc/84/78/38/541847838.db2.gz KJRZCDQFUFVWLM-CABCVRRESA-N 1 1 361.446 2.267 20 5 FEBDMO C[C@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664901 541847842 /nfs/dbraw/zinc/84/78/42/541847842.db2.gz KJRZCDQFUFVWLM-CABCVRRESA-N 1 1 361.446 2.267 20 5 FEBDMO CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072664971 541847887 /nfs/dbraw/zinc/84/78/87/541847887.db2.gz KKNPTUPZQRJVOS-CQSZACIVSA-N 1 1 361.446 2.123 20 5 FEBDMO CC(C)CN(C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072664971 541847891 /nfs/dbraw/zinc/84/78/91/541847891.db2.gz KKNPTUPZQRJVOS-CQSZACIVSA-N 1 1 361.446 2.123 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000072758824 541860807 /nfs/dbraw/zinc/86/08/07/541860807.db2.gz GZFGANLUAVGEDP-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO Cc1ccc([C@@H]2CSCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075747076 542202225 /nfs/dbraw/zinc/20/22/25/542202225.db2.gz NYDOZPVRLYTQER-IRXDYDNUSA-N 1 1 362.455 2.251 20 5 FEBDMO Cc1c(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000076331507 542261617 /nfs/dbraw/zinc/26/16/17/542261617.db2.gz CQZVETOJILLZOM-AWEZNQCLSA-N 1 1 350.419 2.262 20 5 FEBDMO O=C(c1ccncc1)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000076969325 542337601 /nfs/dbraw/zinc/33/76/01/542337601.db2.gz BDJNLLPCYCAEML-UHFFFAOYSA-N 1 1 354.410 2.380 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000080961358 542619526 /nfs/dbraw/zinc/61/95/26/542619526.db2.gz UUTMFMRWADNCEP-BBRMVZONSA-N 1 1 355.398 2.303 20 5 FEBDMO O=C1[C@@H]([N@H+]2CCC[C@H](c3ncc[nH]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000080961358 542619529 /nfs/dbraw/zinc/61/95/29/542619529.db2.gz UUTMFMRWADNCEP-BBRMVZONSA-N 1 1 355.398 2.303 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000085857437 542733463 /nfs/dbraw/zinc/73/34/63/542733463.db2.gz VJOJOIMOJLAFBV-QZTJIDSGSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2CN2CCC[C@@H]2CO)cc1 ZINC000085857437 542733466 /nfs/dbraw/zinc/73/34/66/542733466.db2.gz VJOJOIMOJLAFBV-QZTJIDSGSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2CN2CCC[C@@H]2CO)cc1 ZINC000085857437 542733471 /nfs/dbraw/zinc/73/34/71/542733471.db2.gz VJOJOIMOJLAFBV-QZTJIDSGSA-N 1 1 363.458 2.285 20 5 FEBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C1CCC(CO)CC1 ZINC000089923754 542772888 /nfs/dbraw/zinc/77/28/88/542772888.db2.gz RKAZVBDPWZTSJL-UHFFFAOYSA-N 1 1 363.414 2.376 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000089961120 542777715 /nfs/dbraw/zinc/77/77/15/542777715.db2.gz GFJJULFYIWMREW-IAGOWNOFSA-N 1 1 369.421 2.268 20 5 FEBDMO Cc1ccc(CN2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1[N+](=O)[O-] ZINC000093562734 542933737 /nfs/dbraw/zinc/93/37/37/542933737.db2.gz PYQRXPMOEDRAQU-UHFFFAOYSA-N 1 1 356.430 2.081 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000094134872 542954274 /nfs/dbraw/zinc/95/42/74/542954274.db2.gz XEWUPDMIWRTOBO-ZDUSSCGKSA-N 1 1 362.474 2.133 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000107892138 543281002 /nfs/dbraw/zinc/28/10/02/543281002.db2.gz IDJHKJMRUOUHHP-CYBMUJFWSA-N 1 1 357.414 2.067 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000108403687 543288982 /nfs/dbraw/zinc/28/89/82/543288982.db2.gz YHVKLNNYEAADPK-NSHDSACASA-N 1 1 359.835 2.011 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109755334 543336875 /nfs/dbraw/zinc/33/68/75/543336875.db2.gz DBHVAVLQPHGZDZ-GOSISDBHSA-N 1 1 362.474 2.076 20 5 FEBDMO Cc1nn(C)c(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000110720913 543366028 /nfs/dbraw/zinc/36/60/28/543366028.db2.gz UIBMSBUVAPBLIU-ZDUSSCGKSA-N 1 1 373.413 2.282 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111275126 543391638 /nfs/dbraw/zinc/39/16/38/543391638.db2.gz VIWQKCSLKQQOKZ-QWHCGFSZSA-N 1 1 351.403 2.431 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000111293085 543393676 /nfs/dbraw/zinc/39/36/76/543393676.db2.gz GPJJIJVYLBTISM-INIZCTEOSA-N 1 1 360.414 2.010 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000111348577 543398003 /nfs/dbraw/zinc/39/80/03/543398003.db2.gz IDNNYAYCIXOEBP-CQSZACIVSA-N 1 1 363.439 2.394 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000111348516 543398200 /nfs/dbraw/zinc/39/82/00/543398200.db2.gz CZQNKPHIPJMCDM-AWEZNQCLSA-N 1 1 363.439 2.394 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000112074055 543429747 /nfs/dbraw/zinc/42/97/47/543429747.db2.gz IIADGFDZTTXKFJ-OAHLLOKOSA-N 1 1 369.425 2.234 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000112074055 543429750 /nfs/dbraw/zinc/42/97/50/543429750.db2.gz IIADGFDZTTXKFJ-OAHLLOKOSA-N 1 1 369.425 2.234 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000112310528 543441200 /nfs/dbraw/zinc/44/12/00/543441200.db2.gz TVSBJEPLOLTROV-UHFFFAOYSA-N 1 1 359.430 2.457 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000112465103 543448166 /nfs/dbraw/zinc/44/81/66/543448166.db2.gz CPEYMCHJPSICGI-UHFFFAOYSA-N 1 1 363.462 2.158 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000112620157 543454076 /nfs/dbraw/zinc/45/40/76/543454076.db2.gz IMXDSWAMDMKACH-ZDUSSCGKSA-N 1 1 363.414 2.360 20 5 FEBDMO Cc1sc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000112921512 543468788 /nfs/dbraw/zinc/46/87/88/543468788.db2.gz GLVRJJFGGNQMRR-UHFFFAOYSA-N 1 1 354.476 2.063 20 5 FEBDMO Cc1sc(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000112921512 543468790 /nfs/dbraw/zinc/46/87/90/543468790.db2.gz GLVRJJFGGNQMRR-UHFFFAOYSA-N 1 1 354.476 2.063 20 5 FEBDMO C[C@@H](CS(C)(=O)=O)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000113261146 543479674 /nfs/dbraw/zinc/47/96/74/543479674.db2.gz PZBYUVNZUZJULU-ZDUSSCGKSA-N 1 1 356.444 2.261 20 5 FEBDMO C[C@@H](CS(C)(=O)=O)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000113261146 543479676 /nfs/dbraw/zinc/47/96/76/543479676.db2.gz PZBYUVNZUZJULU-ZDUSSCGKSA-N 1 1 356.444 2.261 20 5 FEBDMO COC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112986739 543470754 /nfs/dbraw/zinc/47/07/54/543470754.db2.gz XAKVXQOKICOYKE-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000113198864 543476850 /nfs/dbraw/zinc/47/68/50/543476850.db2.gz WINARWXCJPFDOL-OAHLLOKOSA-N 1 1 363.414 2.167 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000114378674 543511946 /nfs/dbraw/zinc/51/19/46/543511946.db2.gz OZKAAGYHPNWXHM-JXMROGBWSA-N 1 1 360.458 2.142 20 5 FEBDMO O=[N+]([O-])c1ccc(NCCCCN2CC[NH+](CCO)CC2)c(Cl)c1 ZINC000114450821 543516497 /nfs/dbraw/zinc/51/64/97/543516497.db2.gz LTRMARKHJRBDEU-UHFFFAOYSA-N 1 1 356.854 2.050 20 5 FEBDMO COc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000115442033 543567636 /nfs/dbraw/zinc/56/76/36/543567636.db2.gz CFVFEHJHDWZEKO-LBPRGKRZSA-N 1 1 351.403 2.026 20 5 FEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000124057027 543798634 /nfs/dbraw/zinc/79/86/34/543798634.db2.gz WYXCQZYGSYXCBA-UWVGGRQHSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000124057027 543798637 /nfs/dbraw/zinc/79/86/37/543798637.db2.gz WYXCQZYGSYXCBA-UWVGGRQHSA-N 1 1 359.835 2.152 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)(C)CN1CCOCC1 ZINC000124291537 543812023 /nfs/dbraw/zinc/81/20/23/543812023.db2.gz ZFXSQPMWJBTDTI-UHFFFAOYSA-N 1 1 351.447 2.264 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126470755 543937969 /nfs/dbraw/zinc/93/79/69/543937969.db2.gz JKNNZQJAXOIELF-PBHICJAKSA-N 1 1 358.442 2.482 20 5 FEBDMO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000130641294 544158982 /nfs/dbraw/zinc/15/89/82/544158982.db2.gz INVRBEHLYQWUNK-KGLIPLIRSA-N 1 1 355.460 2.135 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1Cl ZINC000131678521 544201155 /nfs/dbraw/zinc/20/11/55/544201155.db2.gz VRYXYAHNQXCINN-CYBMUJFWSA-N 1 1 355.822 2.215 20 5 FEBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000131964078 544213580 /nfs/dbraw/zinc/21/35/80/544213580.db2.gz VRDHAHBGKBJOTD-NSHDSACASA-N 1 1 371.426 2.232 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000133530187 544273804 /nfs/dbraw/zinc/27/38/04/544273804.db2.gz NTNCFUKNXWPROW-NSHDSACASA-N 1 1 359.423 2.195 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136031348 544365116 /nfs/dbraw/zinc/36/51/16/544365116.db2.gz OFEOIFYGYHJDSG-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000137585507 544391747 /nfs/dbraw/zinc/39/17/47/544391747.db2.gz WGEQHYCEXGHMBN-CYBMUJFWSA-N 1 1 367.471 2.405 20 5 FEBDMO COc1ccccc1N1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136804174 544378955 /nfs/dbraw/zinc/37/89/55/544378955.db2.gz SUZYNCRUFWSQFS-GOSISDBHSA-N 1 1 357.410 2.459 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000150968904 544492302 /nfs/dbraw/zinc/49/23/02/544492302.db2.gz CZXKBRMWOCJWBU-TZMCWYRMSA-N 1 1 362.386 2.368 20 5 FEBDMO O=C(CCN1CCN(c2cc[nH+]cc2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000151338509 544530066 /nfs/dbraw/zinc/53/00/66/544530066.db2.gz FKJNLWQFUCYCPR-UHFFFAOYSA-N 1 1 355.398 2.141 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152877987 544706769 /nfs/dbraw/zinc/70/67/69/544706769.db2.gz ZCGHEGSYVHSLPQ-FRRDWIJNSA-N 1 1 351.403 2.166 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152877987 544706774 /nfs/dbraw/zinc/70/67/74/544706774.db2.gz ZCGHEGSYVHSLPQ-FRRDWIJNSA-N 1 1 351.403 2.166 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C2CC2)c1 ZINC000153272532 544754599 /nfs/dbraw/zinc/75/45/99/544754599.db2.gz PDWUADNYYCOCRT-MSOLQXFVSA-N 1 1 350.415 2.116 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153942642 544842870 /nfs/dbraw/zinc/84/28/70/544842870.db2.gz YIETZHSOWMXRTK-KDOFPFPSSA-N 1 1 359.426 2.449 20 5 FEBDMO COC(=O)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189252697 328137468 /nfs/dbraw/zinc/13/74/68/328137468.db2.gz OULRFNLGOQVZNP-NSHDSACASA-N 1 1 353.350 2.090 20 5 FEBDMO CCCN1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000189365660 328143459 /nfs/dbraw/zinc/14/34/59/328143459.db2.gz CFTJWWWGSMZEAP-UHFFFAOYSA-N 1 1 362.430 2.176 20 5 FEBDMO CCCN1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000189365660 328143460 /nfs/dbraw/zinc/14/34/60/328143460.db2.gz CFTJWWWGSMZEAP-UHFFFAOYSA-N 1 1 362.430 2.176 20 5 FEBDMO COc1cc(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000189477020 328150732 /nfs/dbraw/zinc/15/07/32/328150732.db2.gz BVQQSENJXVGTNK-GFCCVEGCSA-N 1 1 355.410 2.020 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@]2(CC)CO)c([N+](=O)[O-])c1 ZINC000189620878 328158460 /nfs/dbraw/zinc/15/84/60/328158460.db2.gz GLEWZAVRUAZSAB-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(CC)CO)c([N+](=O)[O-])c1 ZINC000189620878 328158461 /nfs/dbraw/zinc/15/84/61/328158461.db2.gz GLEWZAVRUAZSAB-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189759301 328166225 /nfs/dbraw/zinc/16/62/25/328166225.db2.gz HDCNOLBNTFCYIY-UHFFFAOYSA-N 1 1 373.413 2.353 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000190031753 328183831 /nfs/dbraw/zinc/18/38/31/328183831.db2.gz ORMFCTZDUXILEP-CYBMUJFWSA-N 1 1 350.419 2.212 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190081535 328186658 /nfs/dbraw/zinc/18/66/58/328186658.db2.gz PWVIRENAOGCUIK-UHFFFAOYSA-N 1 1 366.443 2.427 20 5 FEBDMO O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193569492 328382591 /nfs/dbraw/zinc/38/25/91/328382591.db2.gz ASDGXOIRCKWWFL-OAHLLOKOSA-N 1 1 362.430 2.470 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193586344 328383944 /nfs/dbraw/zinc/38/39/44/328383944.db2.gz BWLQSLBLAJBAPQ-AWEZNQCLSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193586344 328383945 /nfs/dbraw/zinc/38/39/45/328383945.db2.gz BWLQSLBLAJBAPQ-AWEZNQCLSA-N 1 1 355.398 2.087 20 5 FEBDMO CC(C)OCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193989005 328405326 /nfs/dbraw/zinc/40/53/26/328405326.db2.gz OVBCJDARJGFGED-UHFFFAOYSA-N 1 1 352.391 2.046 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000042005256 324519501 /nfs/dbraw/zinc/51/95/01/324519501.db2.gz UNHUVKQWIKGKTA-UHFFFAOYSA-N 1 1 353.444 2.152 20 5 FEBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048767449 324673432 /nfs/dbraw/zinc/67/34/32/324673432.db2.gz ZIYXWKTVTFYHQK-OAHLLOKOSA-N 1 1 372.381 2.080 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC[C@H]3CN3CCOCC3)nc2c1 ZINC000083189899 325215872 /nfs/dbraw/zinc/21/58/72/325215872.db2.gz CUCJPLUTJAAGJJ-HNNXBMFYSA-N 1 1 360.414 2.423 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCC[C@H]3CN3CCOCC3)nc2c1 ZINC000083189899 325215873 /nfs/dbraw/zinc/21/58/73/325215873.db2.gz CUCJPLUTJAAGJJ-HNNXBMFYSA-N 1 1 360.414 2.423 20 5 FEBDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551501 325362886 /nfs/dbraw/zinc/36/28/86/325362886.db2.gz QMWWXTLJJBJKNE-ZJWNCGCPSA-N 1 1 363.439 2.187 20 5 FEBDMO Cc1nn(CCC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000116652634 326028489 /nfs/dbraw/zinc/02/84/89/326028489.db2.gz QXIJPPAOSKYCJS-AWEZNQCLSA-N 1 1 365.478 2.427 20 5 FEBDMO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866258 326109541 /nfs/dbraw/zinc/10/95/41/326109541.db2.gz HCAMGNZYHHQBIW-HOCLYGCPSA-N 1 1 369.425 2.181 20 5 FEBDMO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866258 326109544 /nfs/dbraw/zinc/10/95/44/326109544.db2.gz HCAMGNZYHHQBIW-HOCLYGCPSA-N 1 1 369.425 2.181 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000119185124 326135766 /nfs/dbraw/zinc/13/57/66/326135766.db2.gz XJCIMRHXUGJJAB-OAHLLOKOSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000119185124 326135768 /nfs/dbraw/zinc/13/57/68/326135768.db2.gz XJCIMRHXUGJJAB-OAHLLOKOSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000119829088 326202963 /nfs/dbraw/zinc/20/29/63/326202963.db2.gz WAPVYQCESJFZOP-YOEHRIQHSA-N 1 1 371.441 2.163 20 5 FEBDMO Cc1cc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc([N+](=O)[O-])c1 ZINC000119867242 326207123 /nfs/dbraw/zinc/20/71/23/326207123.db2.gz HVAWZRLUIDUQMW-LJQANCHMSA-N 1 1 369.421 2.052 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000119901277 326210722 /nfs/dbraw/zinc/21/07/22/326210722.db2.gz PZVULDHPCQJSKA-RDTXWAMCSA-N 1 1 359.426 2.449 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000120724498 326282560 /nfs/dbraw/zinc/28/25/60/326282560.db2.gz ZYZUKISSEVZGQE-GHMZBOCLSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121055678 326310035 /nfs/dbraw/zinc/31/00/35/326310035.db2.gz AJBXVDKDKQFQNF-HUUCEWRRSA-N 1 1 367.471 2.459 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000122443357 326397073 /nfs/dbraw/zinc/39/70/73/326397073.db2.gz INNSLAKYICPIRK-ZBFHGGJFSA-N 1 1 367.471 2.316 20 5 FEBDMO CC(C)C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000126226430 326485424 /nfs/dbraw/zinc/48/54/24/326485424.db2.gz IRJOYTBBEYMQKS-INIZCTEOSA-N 1 1 367.421 2.140 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000162069395 327016137 /nfs/dbraw/zinc/01/61/37/327016137.db2.gz PONGRLFZNZNVOI-UHFFFAOYSA-N 1 1 374.235 2.055 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000162242385 327020728 /nfs/dbraw/zinc/02/07/28/327020728.db2.gz JOSJZHRQLVJQLL-CALCHBBNSA-N 1 1 374.485 2.154 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000162549073 327028459 /nfs/dbraw/zinc/02/84/59/327028459.db2.gz IOWCPKPPFWOBMM-KRWDZBQOSA-N 1 1 363.462 2.297 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000162549222 327028522 /nfs/dbraw/zinc/02/85/22/327028522.db2.gz IOWCPKPPFWOBMM-QGZVFWFLSA-N 1 1 363.462 2.297 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000171618632 327148760 /nfs/dbraw/zinc/14/87/60/327148760.db2.gz JQCPUZQSBLMEQT-CQSZACIVSA-N 1 1 357.414 2.391 20 5 FEBDMO CCOc1ccc(C[NH+]2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000172717931 327215297 /nfs/dbraw/zinc/21/52/97/327215297.db2.gz CZBSNIBWFJUEGU-UHFFFAOYSA-N 1 1 359.430 2.008 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173309099 327248804 /nfs/dbraw/zinc/24/88/04/327248804.db2.gz KCBMXOLGCLKOPK-UHFFFAOYSA-N 1 1 352.416 2.167 20 5 FEBDMO C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000173518313 327263489 /nfs/dbraw/zinc/26/34/89/327263489.db2.gz MEIBTFZFTLIQNN-INIZCTEOSA-N 1 1 371.441 2.304 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1 ZINC000173867806 327290153 /nfs/dbraw/zinc/29/01/53/327290153.db2.gz XVADLXCXFVYDEN-CYBMUJFWSA-N 1 1 371.434 2.277 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000175072925 327372124 /nfs/dbraw/zinc/37/21/24/327372124.db2.gz YFQDYTOJUKEFTO-UHFFFAOYSA-N 1 1 367.471 2.461 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000175272154 327383627 /nfs/dbraw/zinc/38/36/27/327383627.db2.gz JJJUPJPBRLOUFI-UKRRQHHQSA-N 1 1 370.409 2.478 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175394263 327390454 /nfs/dbraw/zinc/39/04/54/327390454.db2.gz PYYFOHJSOHFOLZ-NSHDSACASA-N 1 1 361.851 2.353 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3N)CC2)[nH+]c1 ZINC000176863300 327480213 /nfs/dbraw/zinc/48/02/13/327480213.db2.gz KRNMPHLOKNIJRY-UHFFFAOYSA-N 1 1 355.398 2.279 20 5 FEBDMO CN(CC(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000261965742 328832170 /nfs/dbraw/zinc/83/21/70/328832170.db2.gz MVRNBRDHJYVBIE-SFHVURJKSA-N 1 1 372.400 2.343 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000264909444 329073412 /nfs/dbraw/zinc/07/34/12/329073412.db2.gz DYFPXNFRQUPRMZ-UKRRQHHQSA-N 1 1 362.430 2.101 20 5 FEBDMO C[C@@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCOCC1 ZINC000268098854 329384742 /nfs/dbraw/zinc/38/47/42/329384742.db2.gz MSXVYEIOJIQLIO-LBPRGKRZSA-N 1 1 370.837 2.016 20 5 FEBDMO Cc1ncc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000273465775 329867193 /nfs/dbraw/zinc/86/71/93/329867193.db2.gz RDXRATQSFJIGPN-LLVKDONJSA-N 1 1 364.427 2.126 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061802 330212591 /nfs/dbraw/zinc/21/25/91/330212591.db2.gz YMBRSQDCEZAVAV-QZTJIDSGSA-N 1 1 374.441 2.132 20 5 FEBDMO O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCc2[nH+]ccn21 ZINC000377927464 330252058 /nfs/dbraw/zinc/25/20/58/330252058.db2.gz VVVUWSDOFXHLHA-LBPRGKRZSA-N 1 1 353.342 2.093 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000247558314 549356454 /nfs/dbraw/zinc/35/64/54/549356454.db2.gz RPDLCFHFOMIBDF-DZGCQCFKSA-N 1 1 353.444 2.008 20 5 FEBDMO COc1ccc(CSCC(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155419238 545523839 /nfs/dbraw/zinc/52/38/39/545523839.db2.gz VZTZDUYTSNKMEN-STQMWFEESA-N 1 1 367.471 2.388 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000158597902 545876022 /nfs/dbraw/zinc/87/60/22/545876022.db2.gz GBYOAFGCMBDNGX-GFCCVEGCSA-N 1 1 371.434 2.371 20 5 FEBDMO O=[N+]([O-])c1ccc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000478302924 561163976 /nfs/dbraw/zinc/16/39/76/561163976.db2.gz MPBAOFQXACCRBK-LJQANCHMSA-N 1 1 359.401 2.461 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159640541 545969297 /nfs/dbraw/zinc/96/92/97/545969297.db2.gz JDXYOXVWOWMLEP-XUJVJEKNSA-N 1 1 351.403 2.023 20 5 FEBDMO COC(=O)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(F)c1F ZINC000176286995 546427735 /nfs/dbraw/zinc/42/77/35/546427735.db2.gz PFGJLPNIINEGND-UHFFFAOYSA-N 1 1 368.340 2.135 20 5 FEBDMO COC(=O)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(F)c1F ZINC000176286995 546427737 /nfs/dbraw/zinc/42/77/37/546427737.db2.gz PFGJLPNIINEGND-UHFFFAOYSA-N 1 1 368.340 2.135 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000480390897 561208296 /nfs/dbraw/zinc/20/82/96/561208296.db2.gz DETNLTMRTRKUSR-CYBMUJFWSA-N 1 1 355.398 2.208 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000480390897 561208297 /nfs/dbraw/zinc/20/82/97/561208297.db2.gz DETNLTMRTRKUSR-CYBMUJFWSA-N 1 1 355.398 2.208 20 5 FEBDMO CCn1nccc1N1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000480502811 561210681 /nfs/dbraw/zinc/21/06/81/561210681.db2.gz WNHHNUKDXVPGSE-HNNXBMFYSA-N 1 1 361.377 2.236 20 5 FEBDMO CC[C@H](C)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000480705307 561214835 /nfs/dbraw/zinc/21/48/35/561214835.db2.gz RDMZJTQIBVGTRK-ZDUSSCGKSA-N 1 1 355.460 2.256 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)cc1 ZINC000177228552 546574667 /nfs/dbraw/zinc/57/46/67/546574667.db2.gz QQONUFYQNYARJD-UHFFFAOYSA-N 1 1 364.409 2.498 20 5 FEBDMO CCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000177245742 546578046 /nfs/dbraw/zinc/57/80/46/546578046.db2.gz JQIJSEZSDVQRLR-AWEZNQCLSA-N 1 1 355.460 2.398 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000177757783 546680603 /nfs/dbraw/zinc/68/06/03/546680603.db2.gz CQUJWPMYTCAAEY-CVEARBPZSA-N 1 1 369.425 2.479 20 5 FEBDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178859106 546862605 /nfs/dbraw/zinc/86/26/05/546862605.db2.gz LYXBZMTWBAQPFJ-BBRMVZONSA-N 1 1 365.430 2.475 20 5 FEBDMO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000178944553 546877885 /nfs/dbraw/zinc/87/78/85/546877885.db2.gz KCOJQWGSBZXUEE-GJZGRUSLSA-N 1 1 369.487 2.177 20 5 FEBDMO COCCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000179344697 546936055 /nfs/dbraw/zinc/93/60/55/546936055.db2.gz MHQNYBSQONXWMH-CQSZACIVSA-N 1 1 351.403 2.051 20 5 FEBDMO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000482545493 561255901 /nfs/dbraw/zinc/25/59/01/561255901.db2.gz YTMPGJXPEXHOJL-MSOLQXFVSA-N 1 1 374.485 2.093 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CC2CCC2)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000483142007 561268748 /nfs/dbraw/zinc/26/87/48/561268748.db2.gz TXHBFQQPYXZPAB-CYBMUJFWSA-N 1 1 365.430 2.415 20 5 FEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181279662 547285273 /nfs/dbraw/zinc/28/52/73/547285273.db2.gz AZEXFILUYIOLLM-CQSZACIVSA-N 1 1 361.398 2.318 20 5 FEBDMO C[N@@H+](CCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C1CCCCC1 ZINC000181360581 547299753 /nfs/dbraw/zinc/29/97/53/547299753.db2.gz UMDYJMTYDPNUDA-UHFFFAOYSA-N 1 1 370.475 2.309 20 5 FEBDMO C[C@@H](O)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000181785638 547380173 /nfs/dbraw/zinc/38/01/73/547380173.db2.gz WWUPUHLZUIOSLY-ZBFHGGJFSA-N 1 1 352.431 2.350 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000181902104 547401643 /nfs/dbraw/zinc/40/16/43/547401643.db2.gz NDEOJHFJWBRTTG-QGZVFWFLSA-N 1 1 363.458 2.285 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182186786 547449276 /nfs/dbraw/zinc/44/92/76/547449276.db2.gz JZVJNGZNTWDYTE-RHSMWYFYSA-N 1 1 369.487 2.031 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000182851019 547561615 /nfs/dbraw/zinc/56/16/15/547561615.db2.gz NUNJJZURVKYPKM-CRAIPNDOSA-N 1 1 360.458 2.203 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000182924091 547573505 /nfs/dbraw/zinc/57/35/05/547573505.db2.gz KDDRQRDENBFCQD-RBUKOAKNSA-N 1 1 367.405 2.011 20 5 FEBDMO C[C@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183297913 547635076 /nfs/dbraw/zinc/63/50/76/547635076.db2.gz AVBPKGKVVHBGRD-GFCCVEGCSA-N 1 1 359.423 2.277 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183400207 547650601 /nfs/dbraw/zinc/65/06/01/547650601.db2.gz LYKMZXYXTUNYFR-SFHVURJKSA-N 1 1 369.421 2.400 20 5 FEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183425052 547656834 /nfs/dbraw/zinc/65/68/34/547656834.db2.gz WSURKEKAYCUQEY-IBGZPJMESA-N 1 1 369.421 2.020 20 5 FEBDMO CC1([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183857298 547730587 /nfs/dbraw/zinc/73/05/87/547730587.db2.gz NIWWMUXADSXBQK-AWEZNQCLSA-N 1 1 363.414 2.398 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183885961 547734028 /nfs/dbraw/zinc/73/40/28/547734028.db2.gz FWWXQAQILCHMKY-AWEZNQCLSA-N 1 1 363.414 2.317 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183885961 547734031 /nfs/dbraw/zinc/73/40/31/547734031.db2.gz FWWXQAQILCHMKY-AWEZNQCLSA-N 1 1 363.414 2.317 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183896822 547735743 /nfs/dbraw/zinc/73/57/43/547735743.db2.gz HDYQGTCVRHPZAG-KBPBESRZSA-N 1 1 363.414 2.397 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000184316274 547807064 /nfs/dbraw/zinc/80/70/64/547807064.db2.gz ASDZQEZUJUDGJN-GFCCVEGCSA-N 1 1 354.838 2.004 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184588721 547850452 /nfs/dbraw/zinc/85/04/52/547850452.db2.gz VTAOPZMHWGNWLL-HNNXBMFYSA-N 1 1 355.460 2.231 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000485759158 561327293 /nfs/dbraw/zinc/32/72/93/561327293.db2.gz NWTHTKJXJNJSNC-UHFFFAOYSA-N 1 1 363.284 2.099 20 5 FEBDMO CCN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186327267 548119526 /nfs/dbraw/zinc/11/95/26/548119526.db2.gz HQUILNXDNDEGMS-KRWDZBQOSA-N 1 1 371.441 2.304 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186654773 548167069 /nfs/dbraw/zinc/16/70/69/548167069.db2.gz SLGXNKIHMPEAQW-FXAWDEMLSA-N 1 1 370.405 2.466 20 5 FEBDMO COc1ccc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1[N+](=O)[O-] ZINC000194925007 548551653 /nfs/dbraw/zinc/55/16/53/548551653.db2.gz XJLJZDSWWGHTRP-CYBMUJFWSA-N 1 1 361.402 2.432 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000245742099 548985918 /nfs/dbraw/zinc/98/59/18/548985918.db2.gz FEDOAPYAXYIXQU-UKRRQHHQSA-N 1 1 357.414 2.193 20 5 FEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000246464960 549139730 /nfs/dbraw/zinc/13/97/30/549139730.db2.gz NROSFTDQMQBPLR-OWCLPIDISA-N 1 1 354.451 2.068 20 5 FEBDMO CCOc1ccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000247122859 549287415 /nfs/dbraw/zinc/28/74/15/549287415.db2.gz YXVRROSAPCOSOB-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247629550 549367127 /nfs/dbraw/zinc/36/71/27/549367127.db2.gz SPIXQLNHFIBVCX-UKRRQHHQSA-N 1 1 353.444 2.008 20 5 FEBDMO COc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000247690134 549372545 /nfs/dbraw/zinc/37/25/45/549372545.db2.gz VUKUAHHSVFQTHP-FRFSOERESA-N 1 1 360.414 2.039 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248470206 549446338 /nfs/dbraw/zinc/44/63/38/549446338.db2.gz HQHYJDQETZLAOD-JQWIXIFHSA-N 1 1 359.423 2.146 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000248748765 549495419 /nfs/dbraw/zinc/49/54/19/549495419.db2.gz SLGXNKIHMPEAQW-YLJYHZDGSA-N 1 1 370.405 2.466 20 5 FEBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249112393 549554294 /nfs/dbraw/zinc/55/42/94/549554294.db2.gz RJNGXPDFLBWEJN-CRAIPNDOSA-N 1 1 352.431 2.208 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000249125459 549556717 /nfs/dbraw/zinc/55/67/17/549556717.db2.gz CHKFJUNBZOJWPC-XJKSGUPXSA-N 1 1 362.430 2.030 20 5 FEBDMO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000263652044 549913662 /nfs/dbraw/zinc/91/36/62/549913662.db2.gz HHDOVVFUISAFDN-KRWDZBQOSA-N 1 1 371.441 2.189 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@@H]21 ZINC000268831402 550121249 /nfs/dbraw/zinc/12/12/49/550121249.db2.gz MKVMUJTULZBPTE-ZFWWWQNUSA-N 1 1 360.414 2.472 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000268907539 550130272 /nfs/dbraw/zinc/13/02/72/550130272.db2.gz LSCNLTLPQBGXHE-HUUCEWRRSA-N 1 1 362.430 2.229 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])c1OC ZINC000268999334 550142414 /nfs/dbraw/zinc/14/24/14/550142414.db2.gz JNHJANSWYDSAPT-GXTWGEPZSA-N 1 1 363.414 2.168 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121258 550157417 /nfs/dbraw/zinc/15/74/17/550157417.db2.gz DBWPSLLWCWILJR-QAPCUYQASA-N 1 1 356.426 2.492 20 5 FEBDMO CNC(=O)CCOC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000493212091 561455016 /nfs/dbraw/zinc/45/50/16/561455016.db2.gz WOAQYEYGWHZDPA-UHFFFAOYSA-N 1 1 355.822 2.365 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000269702342 550218637 /nfs/dbraw/zinc/21/86/37/550218637.db2.gz QDRRCXSXHWFVQH-HNNXBMFYSA-N 1 1 354.403 2.110 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000270696034 550297914 /nfs/dbraw/zinc/29/79/14/550297914.db2.gz RYQBAHSAUXETTN-AWEZNQCLSA-N 1 1 360.414 2.043 20 5 FEBDMO COc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271077648 550338210 /nfs/dbraw/zinc/33/82/10/550338210.db2.gz HPKTYPDXPPUTSF-CQSZACIVSA-N 1 1 366.437 2.349 20 5 FEBDMO COc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271077644 550338418 /nfs/dbraw/zinc/33/84/18/550338418.db2.gz HPKTYPDXPPUTSF-AWEZNQCLSA-N 1 1 366.437 2.349 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@]2(C)CCCO)c([N+](=O)[O-])c1 ZINC000271181179 550349402 /nfs/dbraw/zinc/34/94/02/550349402.db2.gz HPCXLHGUPABKKM-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@]2(C)CCCO)c([N+](=O)[O-])c1 ZINC000271181179 550349404 /nfs/dbraw/zinc/34/94/04/550349404.db2.gz HPCXLHGUPABKKM-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1cc(C2CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000271572695 550387037 /nfs/dbraw/zinc/38/70/37/550387037.db2.gz AFFUZMQJKOOPAM-MRXNPFEDSA-N 1 1 360.414 2.246 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000272044096 550418413 /nfs/dbraw/zinc/41/84/13/550418413.db2.gz RQCLOFZNILUGAX-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]1(C)CCCO ZINC000272044096 550418415 /nfs/dbraw/zinc/41/84/15/550418415.db2.gz RQCLOFZNILUGAX-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272463552 550450532 /nfs/dbraw/zinc/45/05/32/550450532.db2.gz SERFFOWZIIIUMY-BXUZGUMPSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272463552 550450534 /nfs/dbraw/zinc/45/05/34/550450534.db2.gz SERFFOWZIIIUMY-BXUZGUMPSA-N 1 1 373.862 2.271 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272498620 550453486 /nfs/dbraw/zinc/45/34/86/550453486.db2.gz GHPSLKJQRPMXPD-XWIAVFTESA-N 1 1 355.442 2.490 20 5 FEBDMO COC(=O)c1cnc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000276785786 550595611 /nfs/dbraw/zinc/59/56/11/550595611.db2.gz OXFAFAFGRGMTAI-BETUJISGSA-N 1 1 366.418 2.078 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277168795 550639271 /nfs/dbraw/zinc/63/92/71/550639271.db2.gz KOSPBPVKZHCRFC-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277168795 550639273 /nfs/dbraw/zinc/63/92/73/550639273.db2.gz KOSPBPVKZHCRFC-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO COc1ccc(NC(=O)CCN2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277270195 550650105 /nfs/dbraw/zinc/65/01/05/550650105.db2.gz RNIQWOPRDSUSAX-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO CS(=O)(=O)[C@@H]1CCCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000277808134 550716362 /nfs/dbraw/zinc/71/63/62/550716362.db2.gz PWEFCDGQGNWQHJ-MRXNPFEDSA-N 1 1 356.444 2.263 20 5 FEBDMO CS(=O)(=O)[C@@H]1CCCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000277808134 550716363 /nfs/dbraw/zinc/71/63/63/550716363.db2.gz PWEFCDGQGNWQHJ-MRXNPFEDSA-N 1 1 356.444 2.263 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000278142864 550754132 /nfs/dbraw/zinc/75/41/32/550754132.db2.gz AGZQNWZPWNHCHW-NWDGAFQWSA-N 1 1 360.418 2.095 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000278329096 550773606 /nfs/dbraw/zinc/77/36/06/550773606.db2.gz AXNQYNVDVZLGLP-NSHDSACASA-N 1 1 369.368 2.198 20 5 FEBDMO CN(C)CC[NH+]1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278435207 550785728 /nfs/dbraw/zinc/78/57/28/550785728.db2.gz QAHRYHCEEBJPRB-UHFFFAOYSA-N 1 1 361.368 2.447 20 5 FEBDMO Cc1cnccc1OC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000278638721 550806841 /nfs/dbraw/zinc/80/68/41/550806841.db2.gz OSSHVICCYLINOE-UHFFFAOYSA-N 1 1 370.409 2.441 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278920644 550836025 /nfs/dbraw/zinc/83/60/25/550836025.db2.gz RNZVIGCJOMMNGY-HOCLYGCPSA-N 1 1 367.471 2.464 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278920644 550836026 /nfs/dbraw/zinc/83/60/26/550836026.db2.gz RNZVIGCJOMMNGY-HOCLYGCPSA-N 1 1 367.471 2.464 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000279188849 550863106 /nfs/dbraw/zinc/86/31/06/550863106.db2.gz LCSQKFURKMRGBN-LBPRGKRZSA-N 1 1 352.410 2.214 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280566605 551008354 /nfs/dbraw/zinc/00/83/54/551008354.db2.gz RQBIRKIVNGGRHO-KSSFIOAISA-N 1 1 363.414 2.112 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000496211826 561493048 /nfs/dbraw/zinc/49/30/48/561493048.db2.gz SYLRALPSSXLBBF-INIZCTEOSA-N 1 1 371.441 2.455 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000281013732 551054989 /nfs/dbraw/zinc/05/49/89/551054989.db2.gz RCJKELRSHCOJNX-UHFFFAOYSA-N 1 1 370.409 2.489 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281075443 551061070 /nfs/dbraw/zinc/06/10/70/551061070.db2.gz UBKZRJRZDATZPK-IRXDYDNUSA-N 1 1 373.409 2.021 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157305 551320648 /nfs/dbraw/zinc/32/06/48/551320648.db2.gz CTLRIEYBOSKLSG-TZMCWYRMSA-N 1 1 361.320 2.311 20 5 FEBDMO COC(=O)CC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000497731500 561507435 /nfs/dbraw/zinc/50/74/35/561507435.db2.gz ASLKJVPKFWYGHU-UHFFFAOYSA-N 1 1 360.370 2.420 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283506625 551378442 /nfs/dbraw/zinc/37/84/42/551378442.db2.gz KRIRNWJIMBIEBU-UHFFFAOYSA-N 1 1 366.437 2.110 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283506625 551378443 /nfs/dbraw/zinc/37/84/43/551378443.db2.gz KRIRNWJIMBIEBU-UHFFFAOYSA-N 1 1 366.437 2.110 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000283642880 551402245 /nfs/dbraw/zinc/40/22/45/551402245.db2.gz QGAWINJCWHWXMZ-OAHLLOKOSA-N 1 1 362.361 2.476 20 5 FEBDMO Cc1noc([C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C2CCOCC2)n1 ZINC000498361705 561523254 /nfs/dbraw/zinc/52/32/54/561523254.db2.gz BZOMVIWQTHBLDV-INIZCTEOSA-N 1 1 362.386 2.423 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498549144 561527788 /nfs/dbraw/zinc/52/77/88/561527788.db2.gz GBTLKMFDFCJUQP-KGLIPLIRSA-N 1 1 357.414 2.335 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498549146 561527808 /nfs/dbraw/zinc/52/78/08/561527808.db2.gz GBTLKMFDFCJUQP-UONOGXRCSA-N 1 1 357.414 2.335 20 5 FEBDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285712515 551799485 /nfs/dbraw/zinc/79/94/85/551799485.db2.gz PPNCBLFNCWWYNA-UHFFFAOYSA-N 1 1 374.397 2.107 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286031206 551840498 /nfs/dbraw/zinc/84/04/98/551840498.db2.gz QJMKXHIBTZHMAV-QRVBRYPASA-N 1 1 369.421 2.261 20 5 FEBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286365317 551879140 /nfs/dbraw/zinc/87/91/40/551879140.db2.gz HQPBMITWWPZCEX-AWEZNQCLSA-N 1 1 362.430 2.304 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000289266371 552291932 /nfs/dbraw/zinc/29/19/32/552291932.db2.gz ARVCSMASIQJBQF-GFCCVEGCSA-N 1 1 359.423 2.147 20 5 FEBDMO Cn1cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289616679 552350201 /nfs/dbraw/zinc/35/02/01/552350201.db2.gz WCNOSPAMMFPFQH-IBGZPJMESA-N 1 1 372.425 2.377 20 5 FEBDMO Cn1cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289616679 552350202 /nfs/dbraw/zinc/35/02/02/552350202.db2.gz WCNOSPAMMFPFQH-IBGZPJMESA-N 1 1 372.425 2.377 20 5 FEBDMO Cn1nccc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289721195 552367882 /nfs/dbraw/zinc/36/78/82/552367882.db2.gz CYNVUXVMQGRENT-UHFFFAOYSA-N 1 1 372.166 2.223 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+]1CCc2ccccc2C1 ZINC000500792059 561582512 /nfs/dbraw/zinc/58/25/12/561582512.db2.gz CSRRHBQNYCXBND-INIZCTEOSA-N 1 1 371.441 2.141 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000500876869 561584887 /nfs/dbraw/zinc/58/48/87/561584887.db2.gz TYCWUQCCHIUFAI-OAHLLOKOSA-N 1 1 362.474 2.015 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000500984133 561587152 /nfs/dbraw/zinc/58/71/52/561587152.db2.gz UBSOTGPVNPXWJJ-UHFFFAOYSA-N 1 1 361.427 2.129 20 5 FEBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290960892 552569478 /nfs/dbraw/zinc/56/94/78/552569478.db2.gz OKEWPSBSAHJVFD-UHFFFAOYSA-N 1 1 357.414 2.411 20 5 FEBDMO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291667498 552649056 /nfs/dbraw/zinc/64/90/56/552649056.db2.gz WAKSGXQKKWOSGG-WRWORJQWSA-N 1 1 353.227 2.424 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291891814 552672168 /nfs/dbraw/zinc/67/21/68/552672168.db2.gz QSQOHZXGZOVKAX-GFCCVEGCSA-N 1 1 357.357 2.181 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000291891728 552672311 /nfs/dbraw/zinc/67/23/11/552672311.db2.gz ICTLIXRPWHKGKJ-HNNXBMFYSA-N 1 1 357.414 2.350 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000291891728 552672312 /nfs/dbraw/zinc/67/23/12/552672312.db2.gz ICTLIXRPWHKGKJ-HNNXBMFYSA-N 1 1 357.414 2.350 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000291891728 552672313 /nfs/dbraw/zinc/67/23/13/552672313.db2.gz ICTLIXRPWHKGKJ-HNNXBMFYSA-N 1 1 357.414 2.350 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@H+](C(C)C)CC1 ZINC000292427175 552725633 /nfs/dbraw/zinc/72/56/33/552725633.db2.gz LSPGJTBAFQWUMX-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293158589 552794419 /nfs/dbraw/zinc/79/44/19/552794419.db2.gz OPOAUPFBPALXFK-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO C[N@@H+](CCCNC(=O)C1CCC1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501845871 561606535 /nfs/dbraw/zinc/60/65/35/561606535.db2.gz YPCRSHIJZABIST-UHFFFAOYSA-N 1 1 362.430 2.162 20 5 FEBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000294744843 552931126 /nfs/dbraw/zinc/93/11/26/552931126.db2.gz VMEBGNKMPONENR-CZUORRHYSA-N 1 1 363.458 2.419 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000295270479 552979166 /nfs/dbraw/zinc/97/91/66/552979166.db2.gz HQSYIFUZIRNKIZ-AGUYFDCRSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295371630 552995886 /nfs/dbraw/zinc/99/58/86/552995886.db2.gz OULVJMXDIZEFPW-LLVKDONJSA-N 1 1 362.386 2.368 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000295387520 552998230 /nfs/dbraw/zinc/99/82/30/552998230.db2.gz UTODZMYUSNJTFZ-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000295387520 552998232 /nfs/dbraw/zinc/99/82/32/552998232.db2.gz UTODZMYUSNJTFZ-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO COc1cc(C(=O)NCCCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000295862670 553069106 /nfs/dbraw/zinc/06/91/06/553069106.db2.gz OLHVCEYHLSDTOK-UHFFFAOYSA-N 1 1 350.350 2.458 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296065058 553098818 /nfs/dbraw/zinc/09/88/18/553098818.db2.gz AYIOFVIUQPXIIO-LLVKDONJSA-N 1 1 356.810 2.217 20 5 FEBDMO COC[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000296539012 553176676 /nfs/dbraw/zinc/17/66/76/553176676.db2.gz BHQDYQMILZTKHA-QGZVFWFLSA-N 1 1 351.403 2.290 20 5 FEBDMO COC[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296669227 553195819 /nfs/dbraw/zinc/19/58/19/553195819.db2.gz KQCLAXGSUSEWOV-QGZVFWFLSA-N 1 1 351.403 2.290 20 5 FEBDMO O=C(NCC[NH+]1CCC(O)CC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000297102843 553253550 /nfs/dbraw/zinc/25/35/50/553253550.db2.gz XLRFFJPCTOHQIG-UHFFFAOYSA-N 1 1 362.213 2.088 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803023 553340625 /nfs/dbraw/zinc/34/06/25/553340625.db2.gz IAQUJGHAMXMJHF-TZMCWYRMSA-N 1 1 362.430 2.078 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298919113 553489682 /nfs/dbraw/zinc/48/96/82/553489682.db2.gz HPCORSVAAQEJND-CQSZACIVSA-N 1 1 362.386 2.299 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000299209804 553531433 /nfs/dbraw/zinc/53/14/33/553531433.db2.gz FLUGMCKIACXWBQ-UHFFFAOYSA-N 1 1 353.444 2.111 20 5 FEBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)c2)CCO1 ZINC000299219103 553532350 /nfs/dbraw/zinc/53/23/50/553532350.db2.gz LRQOWJSGGQJLTF-ZDUSSCGKSA-N 1 1 358.398 2.074 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)c2)CCO1 ZINC000299219103 553532351 /nfs/dbraw/zinc/53/23/51/553532351.db2.gz LRQOWJSGGQJLTF-ZDUSSCGKSA-N 1 1 358.398 2.074 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)c2)CCO1 ZINC000299219102 553532424 /nfs/dbraw/zinc/53/24/24/553532424.db2.gz LRQOWJSGGQJLTF-CYBMUJFWSA-N 1 1 358.398 2.074 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)c2)CCO1 ZINC000299219102 553532426 /nfs/dbraw/zinc/53/24/26/553532426.db2.gz LRQOWJSGGQJLTF-CYBMUJFWSA-N 1 1 358.398 2.074 20 5 FEBDMO CS(=O)(=O)c1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c([N+](=O)[O-])c1 ZINC000299541244 553578517 /nfs/dbraw/zinc/57/85/17/553578517.db2.gz PCJMFRTXDKWMAP-UHFFFAOYSA-N 1 1 350.400 2.105 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301099735 553621965 /nfs/dbraw/zinc/62/19/65/553621965.db2.gz SMODTHDJZBEPKL-CQSZACIVSA-N 1 1 355.398 2.165 20 5 FEBDMO C[NH+]1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(N)n3)cc2Cl)CC1 ZINC000301155587 553626285 /nfs/dbraw/zinc/62/62/85/553626285.db2.gz MZIWVQFMEYADMC-UHFFFAOYSA-N 1 1 363.809 2.116 20 5 FEBDMO COc1cc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301502070 553656521 /nfs/dbraw/zinc/65/65/21/553656521.db2.gz FHNGPIVRDXLKOW-QGZVFWFLSA-N 1 1 357.410 2.435 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c(Br)c1 ZINC000301847973 553685097 /nfs/dbraw/zinc/68/50/97/553685097.db2.gz CENIOLGHDBPABY-ZYHUDNBSSA-N 1 1 371.235 2.418 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c(Br)c1 ZINC000301847973 553685099 /nfs/dbraw/zinc/68/50/99/553685099.db2.gz CENIOLGHDBPABY-ZYHUDNBSSA-N 1 1 371.235 2.418 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301913382 553691503 /nfs/dbraw/zinc/69/15/03/553691503.db2.gz CMPYCXYSLPFFTM-QGZVFWFLSA-N 1 1 369.425 2.062 20 5 FEBDMO C[NH+]1CCN(C(=O)CC2CCN(c3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000302790965 553733086 /nfs/dbraw/zinc/73/30/86/553733086.db2.gz HEQRGMCAPABWSY-UHFFFAOYSA-N 1 1 364.421 2.114 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313350701 553757508 /nfs/dbraw/zinc/75/75/08/553757508.db2.gz WGYLHTHTTOMPKH-HNNXBMFYSA-N 1 1 365.386 2.069 20 5 FEBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000327750198 553790882 /nfs/dbraw/zinc/79/08/82/553790882.db2.gz MFYOMIFBXDVYDZ-CQSZACIVSA-N 1 1 351.378 2.061 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330421195 554119850 /nfs/dbraw/zinc/11/98/50/554119850.db2.gz QCMJWOMEOJELSS-UONOGXRCSA-N 1 1 355.460 2.302 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@H+]1C ZINC000331150734 554221966 /nfs/dbraw/zinc/22/19/66/554221966.db2.gz OKTLHKVTALCKNJ-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331280511 554240673 /nfs/dbraw/zinc/24/06/73/554240673.db2.gz FFAYUIZPGLSDNT-RYUDHWBXSA-N 1 1 359.423 2.133 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331280511 554240674 /nfs/dbraw/zinc/24/06/74/554240674.db2.gz FFAYUIZPGLSDNT-RYUDHWBXSA-N 1 1 359.423 2.133 20 5 FEBDMO O=C(CC[N@H+]1CCS[C@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621640 554296960 /nfs/dbraw/zinc/29/69/60/554296960.db2.gz FHZPJDMULLQVSM-CABCVRRESA-N 1 1 351.428 2.130 20 5 FEBDMO CC(C)[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000331970914 554355063 /nfs/dbraw/zinc/35/50/63/554355063.db2.gz RRAFBGOJBYPDTG-KRWDZBQOSA-N 1 1 371.441 2.408 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000332221311 554404046 /nfs/dbraw/zinc/40/40/46/554404046.db2.gz KINBZOXNLFBUEW-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO CC(C)[NH+]1CCC(N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC000332406870 554440894 /nfs/dbraw/zinc/44/08/94/554440894.db2.gz YKDRCTMFKYIJKA-UHFFFAOYSA-N 1 1 362.474 2.291 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000332435679 554445934 /nfs/dbraw/zinc/44/59/34/554445934.db2.gz GYWMYEDBHSFMNW-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000332460387 554450093 /nfs/dbraw/zinc/45/00/93/554450093.db2.gz PXJFOLOXTIYSTP-UHFFFAOYSA-N 1 1 350.400 2.126 20 5 FEBDMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000332520295 554461780 /nfs/dbraw/zinc/46/17/80/554461780.db2.gz YWDOUJVGQBSOIT-HOCLYGCPSA-N 1 1 367.471 2.026 20 5 FEBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000332520295 554461783 /nfs/dbraw/zinc/46/17/83/554461783.db2.gz YWDOUJVGQBSOIT-HOCLYGCPSA-N 1 1 367.471 2.026 20 5 FEBDMO O=C(C[N@@H+](CCO)CC1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000510969595 561852651 /nfs/dbraw/zinc/85/26/51/561852651.db2.gz QEHZMRZIJJCIDX-UHFFFAOYSA-N 1 1 372.219 2.000 20 5 FEBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n1)OC2 ZINC000350342981 554781256 /nfs/dbraw/zinc/78/12/56/554781256.db2.gz UTBXFMXOQBBTNG-CXAGYDPISA-N 1 1 374.353 2.299 20 5 FEBDMO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350975910 554826412 /nfs/dbraw/zinc/82/64/12/554826412.db2.gz DJSWKNHPTIGLGK-CHWSQXEVSA-N 1 1 373.413 2.210 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000361213422 554910064 /nfs/dbraw/zinc/91/00/64/554910064.db2.gz FMPIHDANDLYETA-QWHCGFSZSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000361213422 554910065 /nfs/dbraw/zinc/91/00/65/554910065.db2.gz FMPIHDANDLYETA-QWHCGFSZSA-N 1 1 353.806 2.231 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391124 554920667 /nfs/dbraw/zinc/92/06/67/554920667.db2.gz IPXCPWFJGUWTBA-QMTHXVAHSA-N 1 1 363.443 2.365 20 5 FEBDMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC000361652806 554927599 /nfs/dbraw/zinc/92/75/99/554927599.db2.gz NSFCDLRMTOKLLC-UHFFFAOYSA-N 1 1 361.377 2.318 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361813402 554936122 /nfs/dbraw/zinc/93/61/22/554936122.db2.gz MLZCYNARBIPZAC-MNOVXSKESA-N 1 1 364.358 2.328 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000362022777 554945139 /nfs/dbraw/zinc/94/51/39/554945139.db2.gz MSFKEDDPYMYREX-RISCZKNCSA-N 1 1 373.862 2.271 20 5 FEBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000511650443 561876220 /nfs/dbraw/zinc/87/62/20/561876220.db2.gz WJVVKSMNZFSJQF-GVSKICRLSA-N 1 1 373.409 2.248 20 5 FEBDMO CCCC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000363029043 555013974 /nfs/dbraw/zinc/01/39/74/555013974.db2.gz BCSXFLUSDQRIST-UHFFFAOYSA-N 1 1 362.430 2.258 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363258704 555065939 /nfs/dbraw/zinc/06/59/39/555065939.db2.gz IHVFWLAQKSLEAV-AESZEHBQSA-N 1 1 358.442 2.338 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422733 555101484 /nfs/dbraw/zinc/10/14/84/555101484.db2.gz IXHGJUNWTZJYLY-FRRDWIJNSA-N 1 1 353.444 2.276 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000363671963 555160692 /nfs/dbraw/zinc/16/06/92/555160692.db2.gz ILFAXZYZJMEFLH-CYBMUJFWSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000363671963 555160694 /nfs/dbraw/zinc/16/06/94/555160694.db2.gz ILFAXZYZJMEFLH-CYBMUJFWSA-N 1 1 351.403 2.433 20 5 FEBDMO Cc1nccc(CN2CCC[C@@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2=O)n1 ZINC000363976668 555225628 /nfs/dbraw/zinc/22/56/28/555225628.db2.gz NIKQGHAGDPFEQU-CQSZACIVSA-N 1 1 361.427 2.036 20 5 FEBDMO COC(=O)c1cn([C@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000363994531 555229514 /nfs/dbraw/zinc/22/95/14/555229514.db2.gz BMGXNGKLLAPLCB-WFASDCNBSA-N 1 1 359.386 2.371 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000364066337 555243816 /nfs/dbraw/zinc/24/38/16/555243816.db2.gz YMABTOCGHNSEML-CQSZACIVSA-N 1 1 373.388 2.221 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000364066337 555243820 /nfs/dbraw/zinc/24/38/20/555243820.db2.gz YMABTOCGHNSEML-CQSZACIVSA-N 1 1 373.388 2.221 20 5 FEBDMO O=C(C[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000364429435 555312715 /nfs/dbraw/zinc/31/27/15/555312715.db2.gz YYXOYRDLKVWNJB-UHFFFAOYSA-N 1 1 350.394 2.233 20 5 FEBDMO Cc1nn(CCC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c(C)c1[N+](=O)[O-] ZINC000512419755 561904170 /nfs/dbraw/zinc/90/41/70/561904170.db2.gz BZRUFOVLDZUFDH-UHFFFAOYSA-N 1 1 371.441 2.141 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 ZINC000364568747 555340766 /nfs/dbraw/zinc/34/07/66/555340766.db2.gz JGEDUEXEFLDKSO-KXBFYZLASA-N 1 1 370.409 2.178 20 5 FEBDMO Cc1cccc(NC2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)[nH+]1 ZINC000364830103 555410037 /nfs/dbraw/zinc/41/00/37/555410037.db2.gz JGHDRBCONWCPCO-UHFFFAOYSA-N 1 1 355.398 2.478 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364871198 555421274 /nfs/dbraw/zinc/42/12/74/555421274.db2.gz JZFHOZLNJDCVCR-GJZGRUSLSA-N 1 1 369.368 2.056 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364871198 555421277 /nfs/dbraw/zinc/42/12/77/555421277.db2.gz JZFHOZLNJDCVCR-GJZGRUSLSA-N 1 1 369.368 2.056 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](c3ccncn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365163739 555499591 /nfs/dbraw/zinc/49/95/91/555499591.db2.gz RJYSLABDEVPJNG-RDTXWAMCSA-N 1 1 367.409 2.370 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@@H](c3ccncn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365163739 555499592 /nfs/dbraw/zinc/49/95/92/555499592.db2.gz RJYSLABDEVPJNG-RDTXWAMCSA-N 1 1 367.409 2.370 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000365393737 555563018 /nfs/dbraw/zinc/56/30/18/555563018.db2.gz KBEWKAOSGWPHTC-DOPJRALCSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000365393737 555563020 /nfs/dbraw/zinc/56/30/20/555563020.db2.gz KBEWKAOSGWPHTC-DOPJRALCSA-N 1 1 374.441 2.397 20 5 FEBDMO Nc1nccc([C@@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000365997978 555722976 /nfs/dbraw/zinc/72/29/76/555722976.db2.gz DIBLKCAZIZKEIO-GFCCVEGCSA-N 1 1 371.397 2.213 20 5 FEBDMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000365997978 555722979 /nfs/dbraw/zinc/72/29/79/555722979.db2.gz DIBLKCAZIZKEIO-GFCCVEGCSA-N 1 1 371.397 2.213 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366117959 555757211 /nfs/dbraw/zinc/75/72/11/555757211.db2.gz GONYPCIZANEKEC-XJKSGUPXSA-N 1 1 355.398 2.025 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366198510 555779144 /nfs/dbraw/zinc/77/91/44/555779144.db2.gz VAGKLMUGGAOBTH-NSHDSACASA-N 1 1 373.276 2.380 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000513708385 561947482 /nfs/dbraw/zinc/94/74/82/561947482.db2.gz RHYULQZNULOMCI-XUJLQICISA-N 1 1 357.414 2.051 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]2[C@H]1c1ccccc1 ZINC000366200884 555780010 /nfs/dbraw/zinc/78/00/10/555780010.db2.gz KBLOUMPFFXGWJV-QGPMSJSTSA-N 1 1 352.394 2.365 20 5 FEBDMO O=C(N[C@H]1CCc2nc[nH]c2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000366455915 555848765 /nfs/dbraw/zinc/84/87/65/555848765.db2.gz KCEMJDVKRBKGFV-ZDUSSCGKSA-N 1 1 355.398 2.205 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2F)C[C@H](C)O1 ZINC000366699639 555911830 /nfs/dbraw/zinc/91/18/30/555911830.db2.gz KGKORYMBRINTLU-HZSPNIEDSA-N 1 1 365.405 2.448 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2F)C[C@H](C)O1 ZINC000366699639 555911832 /nfs/dbraw/zinc/91/18/32/555911832.db2.gz KGKORYMBRINTLU-HZSPNIEDSA-N 1 1 365.405 2.448 20 5 FEBDMO Cc1[nH+]c(CNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)c2n1CCCC2 ZINC000367326603 556018939 /nfs/dbraw/zinc/01/89/39/556018939.db2.gz LCVQTIGFIRVARP-UHFFFAOYSA-N 1 1 354.370 2.697 20 5 FEBDMO CC(=O)c1cc(N2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437467 556048506 /nfs/dbraw/zinc/04/85/06/556048506.db2.gz WMZJWYIWJSJYHU-KSSFIOAISA-N 1 1 360.458 2.260 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514870253 561984184 /nfs/dbraw/zinc/98/41/84/561984184.db2.gz XUUPTIKZBGRELN-BDJLRTHQSA-N 1 1 353.369 2.358 20 5 FEBDMO Cc1cc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)ccc1[N+](=O)[O-] ZINC000367756836 556131406 /nfs/dbraw/zinc/13/14/06/556131406.db2.gz YCBJXBWLNMIWLM-UHFFFAOYSA-N 1 1 357.414 2.487 20 5 FEBDMO NC(=O)c1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)c([N+](=O)[O-])c1 ZINC000368002752 556192590 /nfs/dbraw/zinc/19/25/90/556192590.db2.gz SYKLWJJDCBYFCX-UHFFFAOYSA-N 1 1 363.805 2.381 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368056234 556206390 /nfs/dbraw/zinc/20/63/90/556206390.db2.gz REMNLICYNHRXOM-FZKQIMNGSA-N 1 1 365.430 2.271 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368056234 556206391 /nfs/dbraw/zinc/20/63/91/556206391.db2.gz REMNLICYNHRXOM-FZKQIMNGSA-N 1 1 365.430 2.271 20 5 FEBDMO Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000368840654 556427037 /nfs/dbraw/zinc/42/70/37/556427037.db2.gz AHMTUKHFMMWGHV-HNNXBMFYSA-N 1 1 374.397 2.090 20 5 FEBDMO Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000368840654 556427039 /nfs/dbraw/zinc/42/70/39/556427039.db2.gz AHMTUKHFMMWGHV-HNNXBMFYSA-N 1 1 374.397 2.090 20 5 FEBDMO Cc1ncc(C[N@@H+]2CC[C@@H](NCc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976180 556465521 /nfs/dbraw/zinc/46/55/21/556465521.db2.gz UNUVHMLSRLBAAC-BXUZGUMPSA-N 1 1 364.475 2.093 20 5 FEBDMO Cc1ncc(C[N@H+]2CC[C@@H](NCc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976180 556465523 /nfs/dbraw/zinc/46/55/23/556465523.db2.gz UNUVHMLSRLBAAC-BXUZGUMPSA-N 1 1 364.475 2.093 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@@H]3Cn3ccnn3)n2)cc1 ZINC000369379455 556585423 /nfs/dbraw/zinc/58/54/23/556585423.db2.gz LRBCLWKGSHYGAC-OAHLLOKOSA-N 1 1 369.385 2.291 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC[C@@H]3Cn3ccnn3)n2)cc1 ZINC000369379455 556585424 /nfs/dbraw/zinc/58/54/24/556585424.db2.gz LRBCLWKGSHYGAC-OAHLLOKOSA-N 1 1 369.385 2.291 20 5 FEBDMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000369784328 556693740 /nfs/dbraw/zinc/69/37/40/556693740.db2.gz NCLQQURGYSDADU-INIZCTEOSA-N 1 1 373.413 2.334 20 5 FEBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000369784328 556693741 /nfs/dbraw/zinc/69/37/41/556693741.db2.gz NCLQQURGYSDADU-INIZCTEOSA-N 1 1 373.413 2.334 20 5 FEBDMO O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370058937 556770055 /nfs/dbraw/zinc/77/00/55/556770055.db2.gz CRYVZOWQXVMZDZ-GOSISDBHSA-N 1 1 369.425 2.448 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000370698499 556943543 /nfs/dbraw/zinc/94/35/43/556943543.db2.gz FVUSCPRBEMSCMM-OAHLLOKOSA-N 1 1 352.866 2.460 20 5 FEBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000370817509 556976939 /nfs/dbraw/zinc/97/69/39/556976939.db2.gz CNOOVQJRTHCYBE-KRWDZBQOSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1cc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000370817509 556976944 /nfs/dbraw/zinc/97/69/44/556976944.db2.gz CNOOVQJRTHCYBE-KRWDZBQOSA-N 1 1 360.458 2.144 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000371276852 557128703 /nfs/dbraw/zinc/12/87/03/557128703.db2.gz AVLOTRGUHSCNMB-HOTGVXAUSA-N 1 1 374.441 2.152 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000371276852 557128706 /nfs/dbraw/zinc/12/87/06/557128706.db2.gz AVLOTRGUHSCNMB-HOTGVXAUSA-N 1 1 374.441 2.152 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000517454883 562090558 /nfs/dbraw/zinc/09/05/58/562090558.db2.gz IYYIDZBCNZHOKH-OAHLLOKOSA-N 1 1 360.458 2.269 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000517707902 562095860 /nfs/dbraw/zinc/09/58/60/562095860.db2.gz WSXUBCQIIXUUAJ-LBPRGKRZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000517707902 562095861 /nfs/dbraw/zinc/09/58/61/562095861.db2.gz WSXUBCQIIXUUAJ-LBPRGKRZSA-N 1 1 373.862 2.414 20 5 FEBDMO COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747605 562097141 /nfs/dbraw/zinc/09/71/41/562097141.db2.gz ZBQNFMJQBCEQPE-JKSUJKDBSA-N 1 1 371.441 2.227 20 5 FEBDMO COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747605 562097142 /nfs/dbraw/zinc/09/71/42/562097142.db2.gz ZBQNFMJQBCEQPE-JKSUJKDBSA-N 1 1 371.441 2.227 20 5 FEBDMO Cn1cc([C@H]2[C@@H](CNC(=O)Cc3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000371754619 557283784 /nfs/dbraw/zinc/28/37/84/557283784.db2.gz GZZIXQRJQISJOK-DNVCBOLYSA-N 1 1 371.441 2.070 20 5 FEBDMO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000372086333 557376572 /nfs/dbraw/zinc/37/65/72/557376572.db2.gz UPWJXHULZOWTLD-BBWFWOEESA-N 1 1 369.425 2.242 20 5 FEBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000372107391 557381547 /nfs/dbraw/zinc/38/15/47/557381547.db2.gz IXTSWLUWUVQDBV-ZACQAIPSSA-N 1 1 369.425 2.242 20 5 FEBDMO O=c1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c2ccc(O)cc2o1 ZINC000372275535 557427618 /nfs/dbraw/zinc/42/76/18/557427618.db2.gz WYGWTTOBYSLKHC-CYBMUJFWSA-N 1 1 370.365 2.440 20 5 FEBDMO O=c1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c2ccc(O)cc2o1 ZINC000372275535 557427620 /nfs/dbraw/zinc/42/76/20/557427620.db2.gz WYGWTTOBYSLKHC-CYBMUJFWSA-N 1 1 370.365 2.440 20 5 FEBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC2)C1CC1 ZINC000372391904 557458577 /nfs/dbraw/zinc/45/85/77/557458577.db2.gz HERHHDUMUIMVGA-LBPRGKRZSA-N 1 1 360.414 2.032 20 5 FEBDMO CN1CCC[C@]2(CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1=O ZINC000372507145 557488576 /nfs/dbraw/zinc/48/85/76/557488576.db2.gz QUJVRTVPMQVUMU-GOSISDBHSA-N 1 1 371.397 2.089 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000373083294 557624656 /nfs/dbraw/zinc/62/46/56/557624656.db2.gz ZUIWJKLGHYUGMT-HNNXBMFYSA-N 1 1 366.849 2.475 20 5 FEBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCCc2ccccc21 ZINC000373246713 557657663 /nfs/dbraw/zinc/65/76/63/557657663.db2.gz PEOJGBITTCKGAZ-UHFFFAOYSA-N 1 1 369.425 2.408 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000520073715 562148968 /nfs/dbraw/zinc/14/89/68/562148968.db2.gz IPNGJDITFOMIHQ-CYBMUJFWSA-N 1 1 355.460 2.310 20 5 FEBDMO C[N@@H+](CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCC1 ZINC000373328803 557673437 /nfs/dbraw/zinc/67/34/37/557673437.db2.gz RBLMJWAQERJVDW-UHFFFAOYSA-N 1 1 364.450 2.012 20 5 FEBDMO C[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396980 562155342 /nfs/dbraw/zinc/15/53/42/562155342.db2.gz XJFKHGMTXKNTSR-NVXWUHKLSA-N 1 1 365.474 2.435 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396980 562155343 /nfs/dbraw/zinc/15/53/43/562155343.db2.gz XJFKHGMTXKNTSR-NVXWUHKLSA-N 1 1 365.474 2.435 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000373815135 557765536 /nfs/dbraw/zinc/76/55/36/557765536.db2.gz MCRGMUGFVQTESZ-UHFFFAOYSA-N 1 1 367.365 2.423 20 5 FEBDMO CC(C)c1nnc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000521029745 562167875 /nfs/dbraw/zinc/16/78/75/562167875.db2.gz PNMHFBUQLANDKY-NSHDSACASA-N 1 1 352.416 2.099 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000374372896 557873652 /nfs/dbraw/zinc/87/36/52/557873652.db2.gz GBRZZHKPRHRRAY-NEPJUHHUSA-N 1 1 352.366 2.027 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000374585911 557902937 /nfs/dbraw/zinc/90/29/37/557902937.db2.gz LMRQEVUGFCRAJB-CLROSIBMSA-N 1 1 350.415 2.080 20 5 FEBDMO C[C@@H]([C@@H]1CN(Cc2ccccc2)CCO1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000374896626 557947389 /nfs/dbraw/zinc/94/73/89/557947389.db2.gz OZZSAFNZFGIRCQ-WMZOPIPTSA-N 1 1 373.457 2.013 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1OC ZINC000375017024 557964852 /nfs/dbraw/zinc/96/48/52/557964852.db2.gz GFHODUGVZIGKEZ-IUODEOHRSA-N 1 1 363.414 2.168 20 5 FEBDMO Cc1cccc(NC[C@H]2CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[nH+]1 ZINC000375735152 558074526 /nfs/dbraw/zinc/07/45/26/558074526.db2.gz ZAJKDDZZSWFNAG-CYBMUJFWSA-N 1 1 357.370 2.116 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000375921559 558100143 /nfs/dbraw/zinc/10/01/43/558100143.db2.gz RJFWZTUUUPOXOK-UHFFFAOYSA-N 1 1 357.414 2.364 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376296675 558154050 /nfs/dbraw/zinc/15/40/50/558154050.db2.gz RMIZBRYMEQTUOU-DZGCQCFKSA-N 1 1 369.425 2.212 20 5 FEBDMO COCC[C@@H]1CCCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376376887 558164973 /nfs/dbraw/zinc/16/49/73/558164973.db2.gz QEJGUSMLHHXBIN-HOTGVXAUSA-N 1 1 352.431 2.473 20 5 FEBDMO O=C1[C@H]([NH+]2CCC(c3cnccn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000376998544 558249933 /nfs/dbraw/zinc/24/99/33/558249933.db2.gz UDCMKWJQZGDSJJ-GOSISDBHSA-N 1 1 367.409 2.370 20 5 FEBDMO Cn1ccnc1[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000377264836 558301660 /nfs/dbraw/zinc/30/16/60/558301660.db2.gz BLGLMFMJWDEOIT-HNNXBMFYSA-N 1 1 369.425 2.097 20 5 FEBDMO Cn1ccnc1[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000377264836 558301661 /nfs/dbraw/zinc/30/16/61/558301661.db2.gz BLGLMFMJWDEOIT-HNNXBMFYSA-N 1 1 369.425 2.097 20 5 FEBDMO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNc1nccc(C)c1[N+](=O)[O-] ZINC000377736417 558408531 /nfs/dbraw/zinc/40/85/31/558408531.db2.gz AXLMGYFCTSCGLT-UHFFFAOYSA-N 1 1 373.461 2.094 20 5 FEBDMO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000378246540 558510787 /nfs/dbraw/zinc/51/07/87/558510787.db2.gz ICTHVZGOWKPJDL-ROUUACIJSA-N 1 1 359.430 2.391 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239625 558659654 /nfs/dbraw/zinc/65/96/54/558659654.db2.gz ZTOCLZOAYMCPFZ-KGLIPLIRSA-N 1 1 353.444 2.151 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@H]21 ZINC000408467030 558680352 /nfs/dbraw/zinc/68/03/52/558680352.db2.gz NPYJLCPKIIGIOF-RNCFNFMXSA-N 1 1 354.204 2.133 20 5 FEBDMO CCN1CCC([N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000411309511 558873759 /nfs/dbraw/zinc/87/37/59/558873759.db2.gz RKPUEVDZSJCPQX-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](CCO)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000411637390 558933664 /nfs/dbraw/zinc/93/36/64/558933664.db2.gz CULUNNIANNYRLF-KBPBESRZSA-N 1 1 365.430 2.415 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000411976343 558998148 /nfs/dbraw/zinc/99/81/48/558998148.db2.gz CZTCKZKPFZIYLA-ROUUACIJSA-N 1 1 356.426 2.422 20 5 FEBDMO NC(=O)[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1c1ccccc1 ZINC000411975495 558998341 /nfs/dbraw/zinc/99/83/41/558998341.db2.gz YFSBPOJFXHXMEW-LSDHHAIUSA-N 1 1 365.393 2.172 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1F ZINC000412130166 559016071 /nfs/dbraw/zinc/01/60/71/559016071.db2.gz TYORXTJNLYIMSX-AWEZNQCLSA-N 1 1 353.394 2.084 20 5 FEBDMO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000412145846 559016816 /nfs/dbraw/zinc/01/68/16/559016816.db2.gz JKOBTECLCZKSRL-OTWHNJEPSA-N 1 1 374.485 2.087 20 5 FEBDMO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000412263878 559023448 /nfs/dbraw/zinc/02/34/48/559023448.db2.gz ADQATZSVZOJHMZ-RRQGHBQHSA-N 1 1 361.442 2.002 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1F ZINC000413722108 559126936 /nfs/dbraw/zinc/12/69/36/559126936.db2.gz PIGJZKXEXYNGJK-LLVKDONJSA-N 1 1 351.378 2.052 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417385256 559360343 /nfs/dbraw/zinc/36/03/43/559360343.db2.gz LWURSGCGTHHRGC-CZUORRHYSA-N 1 1 365.384 2.347 20 5 FEBDMO [NH3+]C[C@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420460981 559488655 /nfs/dbraw/zinc/48/86/55/559488655.db2.gz SXNFSXGXCOISLO-CBAPKCEASA-N 1 1 368.242 2.307 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000420292283 559479013 /nfs/dbraw/zinc/47/90/13/559479013.db2.gz LQAXRGCEBKRQDZ-HOTGVXAUSA-N 1 1 360.458 2.108 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000420292283 559479014 /nfs/dbraw/zinc/47/90/14/559479014.db2.gz LQAXRGCEBKRQDZ-HOTGVXAUSA-N 1 1 360.458 2.108 20 5 FEBDMO O=C1[C@@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420333017 559481188 /nfs/dbraw/zinc/48/11/88/559481188.db2.gz HDIXXVNFBKXREM-ROUUACIJSA-N 1 1 358.442 2.164 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000420973499 559515974 /nfs/dbraw/zinc/51/59/74/559515974.db2.gz MIOHRYPXKFXJRA-UHFFFAOYSA-N 1 1 355.441 2.067 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000420973499 559515975 /nfs/dbraw/zinc/51/59/75/559515975.db2.gz MIOHRYPXKFXJRA-UHFFFAOYSA-N 1 1 355.441 2.067 20 5 FEBDMO Cn1ccnc1[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000423544099 559631586 /nfs/dbraw/zinc/63/15/86/559631586.db2.gz NZOAAWWEYCIETF-KYHPRHEASA-N 1 1 355.442 2.395 20 5 FEBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000423944444 559647431 /nfs/dbraw/zinc/64/74/31/559647431.db2.gz FJRFEBRDBWZARR-UHFFFAOYSA-N 1 1 366.849 2.194 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(OC)c(C)c([N+](=O)[O-])c2)CC1 ZINC000424981031 559682003 /nfs/dbraw/zinc/68/20/03/559682003.db2.gz AREFQWFXWJQXAV-UHFFFAOYSA-N 1 1 365.430 2.095 20 5 FEBDMO C[C@H](CO)[N@H+]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425450272 559702868 /nfs/dbraw/zinc/70/28/68/559702868.db2.gz UKCKNFMQMXKCNJ-GFCCVEGCSA-N 1 1 372.263 2.246 20 5 FEBDMO C[C@H]1CCCN(c2ccc(C(=O)NCC(F)(F)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000427164547 559749588 /nfs/dbraw/zinc/74/95/88/559749588.db2.gz WTYHOPVLTBDMPQ-NSHDSACASA-N 1 1 356.373 2.155 20 5 FEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018052 559788791 /nfs/dbraw/zinc/78/87/91/559788791.db2.gz HJLRYJNQJDXQBA-RKVPGOIHSA-N 1 1 372.469 2.146 20 5 FEBDMO C[N@H+](CCCNC(=O)C1CCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000429539202 559800810 /nfs/dbraw/zinc/80/08/10/559800810.db2.gz JSPHNKXTHKEKGS-UHFFFAOYSA-N 1 1 373.413 2.383 20 5 FEBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000429539202 559800811 /nfs/dbraw/zinc/80/08/11/559800811.db2.gz JSPHNKXTHKEKGS-UHFFFAOYSA-N 1 1 373.413 2.383 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429546050 559800924 /nfs/dbraw/zinc/80/09/24/559800924.db2.gz GPUGWAYDKLZZNJ-UHFFFAOYSA-N 1 1 362.430 2.080 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429546050 559800925 /nfs/dbraw/zinc/80/09/25/559800925.db2.gz GPUGWAYDKLZZNJ-UHFFFAOYSA-N 1 1 362.430 2.080 20 5 FEBDMO COc1cc(C[N@H+](C)CCCNC(=O)C2CCC2)c([N+](=O)[O-])cc1F ZINC000429555785 559801230 /nfs/dbraw/zinc/80/12/30/559801230.db2.gz NDSKCVFLQVIZPE-UHFFFAOYSA-N 1 1 353.394 2.481 20 5 FEBDMO COc1cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c([N+](=O)[O-])cc1F ZINC000429555785 559801231 /nfs/dbraw/zinc/80/12/31/559801231.db2.gz NDSKCVFLQVIZPE-UHFFFAOYSA-N 1 1 353.394 2.481 20 5 FEBDMO CN(C)c1nc(N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000432316403 559856167 /nfs/dbraw/zinc/85/61/67/559856167.db2.gz WLSDIWUICWWBTM-UHFFFAOYSA-N 1 1 362.821 2.431 20 5 FEBDMO C[NH+]1CCN(C(=O)C2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000432340519 559856727 /nfs/dbraw/zinc/85/67/27/559856727.db2.gz ZMUDGDUSZLTQCG-UHFFFAOYSA-N 1 1 366.849 2.239 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CCCO1 ZINC000432549173 559860857 /nfs/dbraw/zinc/86/08/57/559860857.db2.gz HVLZOXMBHRCMCN-ZDUSSCGKSA-N 1 1 360.414 2.307 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+](CCO)[C@@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000439011328 559987015 /nfs/dbraw/zinc/98/70/15/559987015.db2.gz SWBGZIKNNNSIEJ-CQSZACIVSA-N 1 1 367.471 2.422 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000440094462 560004728 /nfs/dbraw/zinc/00/47/28/560004728.db2.gz VRAFDVLMKJOUER-GXTWGEPZSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440520178 560013582 /nfs/dbraw/zinc/01/35/82/560013582.db2.gz LCCPUJCGTYBOLN-HXUWFJFHSA-N 1 1 369.421 2.270 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000440915978 560019590 /nfs/dbraw/zinc/01/95/90/560019590.db2.gz WTRMDZLHIUWCQZ-OCCSQVGLSA-N 1 1 369.425 2.350 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000441248917 560027044 /nfs/dbraw/zinc/02/70/44/560027044.db2.gz WUOAPVCWLBYTGH-ZDUSSCGKSA-N 1 1 352.387 2.257 20 5 FEBDMO CSc1cccc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000442963492 560064145 /nfs/dbraw/zinc/06/41/45/560064145.db2.gz FEHCCJOPOPSCDP-UHFFFAOYSA-N 1 1 366.487 2.073 20 5 FEBDMO C[N@H+]1CC[C@@](O)(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447680503 560166626 /nfs/dbraw/zinc/16/66/26/560166626.db2.gz HLLVFKIRNCPQOH-LLVKDONJSA-N 1 1 370.278 2.122 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCC[NH+]1CCOCC1 ZINC000447804983 560169592 /nfs/dbraw/zinc/16/95/92/560169592.db2.gz GLLUGPNLPWQSJY-UHFFFAOYSA-N 1 1 357.794 2.169 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448317475 560183833 /nfs/dbraw/zinc/18/38/33/560183833.db2.gz IFZIIOZNQAGKRF-HNNXBMFYSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449884296 560244011 /nfs/dbraw/zinc/24/40/11/560244011.db2.gz OOZSODLSBWXBMG-ZBFHGGJFSA-N 1 1 369.425 2.479 20 5 FEBDMO Cc1cc(NC[C@H]2CCC[N@H+]2CCCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450594310 560267373 /nfs/dbraw/zinc/26/73/73/560267373.db2.gz KFQAYOVXTLXUPT-QGZVFWFLSA-N 1 1 371.441 2.041 20 5 FEBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)nc1-c1ccc(F)cc1 ZINC000450601993 560267699 /nfs/dbraw/zinc/26/76/99/560267699.db2.gz ZGCYCTHTEHROBV-INIZCTEOSA-N 1 1 374.416 3.055 20 5 FEBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451260545 560296532 /nfs/dbraw/zinc/29/65/32/560296532.db2.gz UTXQOOXBQWTZMW-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451558330 560314624 /nfs/dbraw/zinc/31/46/24/560314624.db2.gz GAGQYCWNIRRBLW-WFASDCNBSA-N 1 1 351.403 2.289 20 5 FEBDMO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451588901 560316272 /nfs/dbraw/zinc/31/62/72/560316272.db2.gz SNIAYFICUBAKFX-KGLIPLIRSA-N 1 1 360.370 2.466 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451698854 560322868 /nfs/dbraw/zinc/32/28/68/560322868.db2.gz TVVUFOLIJUCYLM-IPYPFGDCSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451698854 560322869 /nfs/dbraw/zinc/32/28/69/560322869.db2.gz TVVUFOLIJUCYLM-IPYPFGDCSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451698855 560322917 /nfs/dbraw/zinc/32/29/17/560322917.db2.gz TVVUFOLIJUCYLM-NFAWXSAZSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451698855 560322918 /nfs/dbraw/zinc/32/29/18/560322918.db2.gz TVVUFOLIJUCYLM-NFAWXSAZSA-N 1 1 363.414 2.025 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000452098230 560351019 /nfs/dbraw/zinc/35/10/19/560351019.db2.gz ALWALNYUSWUCDT-CQSZACIVSA-N 1 1 355.460 2.315 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000452106688 560351783 /nfs/dbraw/zinc/35/17/83/560351783.db2.gz QVQODSKJVVVQGF-CQSZACIVSA-N 1 1 355.460 2.315 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000453574923 560389256 /nfs/dbraw/zinc/38/92/56/560389256.db2.gz JIFHFSYAGJXUSB-UHFFFAOYSA-N 1 1 364.409 2.498 20 5 FEBDMO CNc1nc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915704 560500081 /nfs/dbraw/zinc/50/00/81/560500081.db2.gz NLOGKJOBNBOGTB-DZGCQCFKSA-N 1 1 369.425 2.424 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000456358676 560517248 /nfs/dbraw/zinc/51/72/48/560517248.db2.gz UAYVZKCHIADXLO-AWEZNQCLSA-N 1 1 372.429 2.040 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000456358676 560517249 /nfs/dbraw/zinc/51/72/49/560517249.db2.gz UAYVZKCHIADXLO-AWEZNQCLSA-N 1 1 372.429 2.040 20 5 FEBDMO CN(CC(=O)N1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000457009343 560543554 /nfs/dbraw/zinc/54/35/54/560543554.db2.gz CXBVBNXZQAXXDK-INIZCTEOSA-N 1 1 354.410 2.204 20 5 FEBDMO COc1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000458178862 560607218 /nfs/dbraw/zinc/60/72/18/560607218.db2.gz XFKGQYNTHOTITI-LBPRGKRZSA-N 1 1 351.403 2.074 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000458219138 560609791 /nfs/dbraw/zinc/60/97/91/560609791.db2.gz OPCDLMFPLCAGAW-ZDUSSCGKSA-N 1 1 367.471 2.141 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460128868 560735850 /nfs/dbraw/zinc/73/58/50/560735850.db2.gz GYZZNHJZAQJAAF-LSDHHAIUSA-N 1 1 360.414 2.126 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000464850809 560853386 /nfs/dbraw/zinc/85/33/86/560853386.db2.gz LCBDPYXQNPUGNS-DZGCQCFKSA-N 1 1 361.398 2.394 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000465014095 560856878 /nfs/dbraw/zinc/85/68/78/560856878.db2.gz RJTMEJQCBQNHGY-HNNXBMFYSA-N 1 1 363.462 2.284 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1 ZINC000465363775 560863887 /nfs/dbraw/zinc/86/38/87/560863887.db2.gz KCSZQIDDPJIMPK-UHFFFAOYSA-N 1 1 372.381 2.356 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470152697 560975509 /nfs/dbraw/zinc/97/55/09/560975509.db2.gz NWONCDAPQGBNTF-UHFFFAOYSA-N 1 1 367.425 2.273 20 5 FEBDMO CC[N@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000471049115 560996938 /nfs/dbraw/zinc/99/69/38/560996938.db2.gz ZDMMOYCVGMXWKJ-UHFFFAOYSA-N 1 1 360.208 2.000 20 5 FEBDMO CC[N@@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000471049115 560996939 /nfs/dbraw/zinc/99/69/39/560996939.db2.gz ZDMMOYCVGMXWKJ-UHFFFAOYSA-N 1 1 360.208 2.000 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472538575 561028798 /nfs/dbraw/zinc/02/87/98/561028798.db2.gz IKYRMEHLUFOZHH-GFCCVEGCSA-N 1 1 366.393 2.053 20 5 FEBDMO C[C@H](CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@@H+](C)Cc1ccccc1 ZINC000472602968 561030788 /nfs/dbraw/zinc/03/07/88/561030788.db2.gz WNLAJPVPMJZJNH-CYBMUJFWSA-N 1 1 358.398 2.336 20 5 FEBDMO COc1c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000474712430 561081138 /nfs/dbraw/zinc/08/11/38/561081138.db2.gz VDDMZDJCTJOMIO-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO COc1c(C(=O)NCC[N@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000474712430 561081139 /nfs/dbraw/zinc/08/11/39/561081139.db2.gz VDDMZDJCTJOMIO-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000474775137 561082635 /nfs/dbraw/zinc/08/26/35/561082635.db2.gz MEJUIFXKWHNTMT-UHFFFAOYSA-N 1 1 368.397 2.403 20 5 FEBDMO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000532174880 562469734 /nfs/dbraw/zinc/46/97/34/562469734.db2.gz HEDUFUFAHRAMNM-WMZOPIPTSA-N 1 1 372.425 2.449 20 5 FEBDMO C[C@@H](O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000532575102 562481990 /nfs/dbraw/zinc/48/19/90/562481990.db2.gz BQXKSZCGYSPHQQ-OAHLLOKOSA-N 1 1 357.410 2.441 20 5 FEBDMO C[C@@H](O)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000532575102 562481991 /nfs/dbraw/zinc/48/19/91/562481991.db2.gz BQXKSZCGYSPHQQ-OAHLLOKOSA-N 1 1 357.410 2.441 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000534537593 562536308 /nfs/dbraw/zinc/53/63/08/562536308.db2.gz HPRFVKCRKAJTBM-QGZVFWFLSA-N 1 1 369.425 2.493 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000534537593 562536309 /nfs/dbraw/zinc/53/63/09/562536309.db2.gz HPRFVKCRKAJTBM-QGZVFWFLSA-N 1 1 369.425 2.493 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000535758046 562567042 /nfs/dbraw/zinc/56/70/42/562567042.db2.gz SZBYIYMGLGOOFG-OAHLLOKOSA-N 1 1 364.446 2.209 20 5 FEBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000536821715 562581114 /nfs/dbraw/zinc/58/11/14/562581114.db2.gz QRVCQSMIWQWTAP-KBPBESRZSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000536821715 562581115 /nfs/dbraw/zinc/58/11/15/562581115.db2.gz QRVCQSMIWQWTAP-KBPBESRZSA-N 1 1 357.414 2.063 20 5 FEBDMO CNc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901369 562596163 /nfs/dbraw/zinc/59/61/63/562596163.db2.gz ZSJGADFPRNSOHX-NVXWUHKLSA-N 1 1 354.410 2.464 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(CCCO)CC1 ZINC000541129873 562603937 /nfs/dbraw/zinc/60/39/37/562603937.db2.gz FOSLWJGQRNGHMD-CYBMUJFWSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000603715461 568138371 /nfs/dbraw/zinc/13/83/71/568138371.db2.gz YWKRYRKUADGDIC-ZIAGYGMSSA-N 1 1 362.430 2.221 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)cc1SC ZINC000569595083 568409056 /nfs/dbraw/zinc/40/90/56/568409056.db2.gz IYKICSULYNOUOJ-SNVBAGLBSA-N 1 1 361.370 2.004 20 5 FEBDMO CC(C)C[N@@H+]1CCCC[C@@H]1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676218 568495043 /nfs/dbraw/zinc/49/50/43/568495043.db2.gz LGWQJAZJIUEORF-IAGOWNOFSA-N 1 1 365.474 2.435 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676218 568495044 /nfs/dbraw/zinc/49/50/44/568495044.db2.gz LGWQJAZJIUEORF-IAGOWNOFSA-N 1 1 365.474 2.435 20 5 FEBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670182 609315032 /nfs/dbraw/zinc/31/50/32/609315032.db2.gz LQCQWRTZPWNXOX-NWDGAFQWSA-N 1 1 372.433 2.235 20 5 FEBDMO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1-c1nn[nH]n1 ZINC000826202870 609342888 /nfs/dbraw/zinc/34/28/88/609342888.db2.gz QSQVKQXQJQAOCK-UHFFFAOYSA-N 1 1 358.333 2.212 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000815009394 674895189 /nfs/dbraw/zinc/89/51/89/674895189.db2.gz ISVJOSFOIBWTQH-MRVPVSSYSA-N 1 1 365.814 2.148 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000564325100 674995728 /nfs/dbraw/zinc/99/57/28/674995728.db2.gz LMXBBNHCFUQEEZ-AWEZNQCLSA-N 1 1 367.471 2.197 20 5 FEBDMO CC(C)(C)c1nnc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000564847671 675067619 /nfs/dbraw/zinc/06/76/19/675067619.db2.gz APKYQSOOWKCTKR-NSHDSACASA-N 1 1 366.443 2.273 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000565220311 675103124 /nfs/dbraw/zinc/10/31/24/675103124.db2.gz DTGSFBITXNBYPY-ZDUSSCGKSA-N 1 1 352.410 2.324 20 5 FEBDMO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000569873482 670625792 /nfs/dbraw/zinc/62/57/92/670625792.db2.gz XSDQLIHOPUMFBM-GFCCVEGCSA-N 1 1 365.411 2.123 20 5 FEBDMO Cc1c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000817491342 675138466 /nfs/dbraw/zinc/13/84/66/675138466.db2.gz OJIJFXHKZWBSBL-GFCCVEGCSA-N 1 1 350.375 2.286 20 5 FEBDMO CCc1ccc(S(=O)(=O)NCCNc2cccc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000574035758 671194672 /nfs/dbraw/zinc/19/46/72/671194672.db2.gz GMPPPUVKNWEIEG-UHFFFAOYSA-N 1 1 364.427 2.251 20 5 FEBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000576696655 671387718 /nfs/dbraw/zinc/38/77/18/671387718.db2.gz YQTLRLYLORKVNE-JTQLQIEISA-N 1 1 353.247 2.293 20 5 FEBDMO CS(=O)(=O)c1ccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000609350917 675919795 /nfs/dbraw/zinc/91/97/95/675919795.db2.gz WDXYVARUWRPJFY-CYBMUJFWSA-N 1 1 353.444 2.063 20 5 FEBDMO C[N@H+]1CCCN(CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609619817 675929129 /nfs/dbraw/zinc/92/91/29/675929129.db2.gz GBZYJLPBJYPGHK-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@H+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609619817 675929133 /nfs/dbraw/zinc/92/91/33/675929133.db2.gz GBZYJLPBJYPGHK-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@@H+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609619817 675929135 /nfs/dbraw/zinc/92/91/35/675929135.db2.gz GBZYJLPBJYPGHK-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000119339764 671897344 /nfs/dbraw/zinc/89/73/44/671897344.db2.gz QNLKOPBYCJKZLD-JTQLQIEISA-N 1 1 361.470 2.299 20 5 FEBDMO C[N@@H+](CCCNS(=O)(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000119367428 671898168 /nfs/dbraw/zinc/89/81/68/671898168.db2.gz JTQGBCODUBMWTI-UHFFFAOYSA-N 1 1 369.468 2.457 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000121432560 671949193 /nfs/dbraw/zinc/94/91/93/671949193.db2.gz QVEOAQQJMHRLEH-KRWDZBQOSA-N 1 1 350.415 2.427 20 5 FEBDMO CN(C)c1ccc(COC(=O)C[N@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000130291074 672073803 /nfs/dbraw/zinc/07/38/03/672073803.db2.gz MCSPJDMKKRTPEM-ZDUSSCGKSA-N 1 1 353.444 2.141 20 5 FEBDMO CN(C)c1ccc(COC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000130291074 672073807 /nfs/dbraw/zinc/07/38/07/672073807.db2.gz MCSPJDMKKRTPEM-ZDUSSCGKSA-N 1 1 353.444 2.141 20 5 FEBDMO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000162464469 672304524 /nfs/dbraw/zinc/30/45/24/672304524.db2.gz HUZQTXQGMQIBAW-CQSZACIVSA-N 1 1 352.391 2.440 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C[C@@H]1C ZINC000611216177 676025844 /nfs/dbraw/zinc/02/58/44/676025844.db2.gz KZTXQRYBQZXCMF-ZDUSSCGKSA-N 1 1 367.471 2.500 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C[C@@H]1C ZINC000611216177 676025846 /nfs/dbraw/zinc/02/58/46/676025846.db2.gz KZTXQRYBQZXCMF-ZDUSSCGKSA-N 1 1 367.471 2.500 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000590444956 672583532 /nfs/dbraw/zinc/58/35/32/672583532.db2.gz OLQDDGVOEWUURK-RNCFNFMXSA-N 1 1 354.204 2.133 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](CCO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000591014048 672641383 /nfs/dbraw/zinc/64/13/83/672641383.db2.gz ZQEPNNZOIHCIRD-UHFFFAOYSA-N 1 1 353.419 2.272 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593535182 672936243 /nfs/dbraw/zinc/93/62/43/672936243.db2.gz KAICYMHBWIATNG-BETUJISGSA-N 1 1 370.475 2.025 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594750480 673129056 /nfs/dbraw/zinc/12/90/56/673129056.db2.gz JCSOFTLWBDUYNB-BETUJISGSA-N 1 1 370.475 2.025 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594800555 673147624 /nfs/dbraw/zinc/14/76/24/673147624.db2.gz GVAWDWMAOIPXBP-JTQLQIEISA-N 1 1 361.851 2.399 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CCC3CCC3)CC2)c1 ZINC000595287423 673216805 /nfs/dbraw/zinc/21/68/05/673216805.db2.gz HSNWBVGLXYCHRV-UHFFFAOYSA-N 1 1 353.444 2.091 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000595411755 673246155 /nfs/dbraw/zinc/24/61/55/673246155.db2.gz SSJCUPISKAJEEM-INIZCTEOSA-N 1 1 367.471 2.136 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000595851874 673329995 /nfs/dbraw/zinc/32/99/95/673329995.db2.gz VCZZAFSOZHMJKO-LBPRGKRZSA-N 1 1 353.394 2.479 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000595851874 673329996 /nfs/dbraw/zinc/32/99/96/673329996.db2.gz VCZZAFSOZHMJKO-LBPRGKRZSA-N 1 1 353.394 2.479 20 5 FEBDMO O=[N+]([O-])c1ccc(NC(=S)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000731941054 673348763 /nfs/dbraw/zinc/34/87/63/673348763.db2.gz VSXKWMAEGPUJIK-INIZCTEOSA-N 1 1 364.471 2.478 20 5 FEBDMO COC(=O)c1c(Cl)c(NCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596051292 673354165 /nfs/dbraw/zinc/35/41/65/673354165.db2.gz OLAVYHOQLLPLNS-UHFFFAOYSA-N 1 1 357.794 2.169 20 5 FEBDMO COc1cc(N(C)CCC[NH+]2CCN(C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596120595 673360893 /nfs/dbraw/zinc/36/08/93/673360893.db2.gz IRUNPNQGKQJJBA-UHFFFAOYSA-N 1 1 356.854 2.331 20 5 FEBDMO CCC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538308305 673433324 /nfs/dbraw/zinc/43/33/24/673433324.db2.gz TXYYKOACPKJNQW-CQSZACIVSA-N 1 1 355.460 2.337 20 5 FEBDMO CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000597577250 673489235 /nfs/dbraw/zinc/48/92/35/673489235.db2.gz ZVQRPMBPXSDNCR-KBPBESRZSA-N 1 1 351.378 2.252 20 5 FEBDMO CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000597947443 673522652 /nfs/dbraw/zinc/52/26/52/673522652.db2.gz YIYGOBZTZSWVCZ-AWEZNQCLSA-N 1 1 367.471 2.389 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000598604914 673588931 /nfs/dbraw/zinc/58/89/31/673588931.db2.gz CLBVNWATCSWIBN-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000543183455 673631503 /nfs/dbraw/zinc/63/15/03/673631503.db2.gz QMTJEXPBERYUBA-QGZVFWFLSA-N 1 1 368.455 2.260 20 5 FEBDMO NS(=O)(=O)c1cccc(NC[C@H]2CC[N@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599127983 673635178 /nfs/dbraw/zinc/63/51/78/673635178.db2.gz SZECFNNZJABKGZ-CYBMUJFWSA-N 1 1 368.459 2.061 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599412461 673671918 /nfs/dbraw/zinc/67/19/18/673671918.db2.gz JDFLNDXMPROQPC-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599464620 673678719 /nfs/dbraw/zinc/67/87/19/673678719.db2.gz OKJPUZUKDCTIOW-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1 ZINC000599542970 673689734 /nfs/dbraw/zinc/68/97/34/673689734.db2.gz ILIXFFOAYFPBTL-MRXNPFEDSA-N 1 1 350.415 2.227 20 5 FEBDMO O=C(C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599553091 673690671 /nfs/dbraw/zinc/69/06/71/673690671.db2.gz MWOMAQPKESODRM-MNOVXSKESA-N 1 1 365.411 2.232 20 5 FEBDMO O=C(C[N@H+]1CC[C@H]2CC[C@@H](C1)S2)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000599553091 673690674 /nfs/dbraw/zinc/69/06/74/673690674.db2.gz MWOMAQPKESODRM-MNOVXSKESA-N 1 1 365.411 2.232 20 5 FEBDMO NC(=O)C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000600209780 673749378 /nfs/dbraw/zinc/74/93/78/673749378.db2.gz ZQOBVZGVMJPPSR-CQSZACIVSA-N 1 1 361.423 2.400 20 5 FEBDMO NC(=O)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000600209780 673749380 /nfs/dbraw/zinc/74/93/80/673749380.db2.gz ZQOBVZGVMJPPSR-CQSZACIVSA-N 1 1 361.423 2.400 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601356304 673847099 /nfs/dbraw/zinc/84/70/99/673847099.db2.gz MVOSGGMSPLDDSJ-RYUDHWBXSA-N 1 1 359.423 2.146 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601537291 673879117 /nfs/dbraw/zinc/87/91/17/673879117.db2.gz CGYHNRFRAMQIAO-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO COc1cc(C(=O)NCCn2cc[nH+]c2C(C)C)c([N+](=O)[O-])cc1F ZINC000823286793 675541945 /nfs/dbraw/zinc/54/19/45/675541945.db2.gz SHHUNTZUYKNHCT-UHFFFAOYSA-N 1 1 350.350 2.492 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000827139768 675733144 /nfs/dbraw/zinc/73/31/44/675733144.db2.gz DXVYHZULXXRCFY-MFKMUULPSA-N 1 1 368.231 2.458 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000827139768 675733147 /nfs/dbraw/zinc/73/31/47/675733147.db2.gz DXVYHZULXXRCFY-MFKMUULPSA-N 1 1 368.231 2.458 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930041 675802046 /nfs/dbraw/zinc/80/20/46/675802046.db2.gz GQNFGQNKVYPEEG-BETUJISGSA-N 1 1 370.475 2.022 20 5 FEBDMO C[C@H](C(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000838906903 680727002 /nfs/dbraw/zinc/72/70/02/680727002.db2.gz RHFQPIAHJOAANK-FPMFFAJLSA-N 1 1 352.362 2.244 20 5 FEBDMO CSc1ccc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000838912972 680727405 /nfs/dbraw/zinc/72/74/05/680727405.db2.gz SWWKCYUGJVTGKA-BETUJISGSA-N 1 1 352.412 2.337 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C[C@@H]21 ZINC000839412573 680752067 /nfs/dbraw/zinc/75/20/67/680752067.db2.gz WOFXVGIZARMCQF-RNCFNFMXSA-N 1 1 354.204 2.133 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000762621554 680756199 /nfs/dbraw/zinc/75/61/99/680756199.db2.gz LVSIRXCGDBQITE-LBPRGKRZSA-N 1 1 355.822 2.479 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)[C@@H](C)C1 ZINC000839565138 680762208 /nfs/dbraw/zinc/76/22/08/680762208.db2.gz YVGQNYWMWHBQOB-RYUDHWBXSA-N 1 1 372.263 2.244 20 5 FEBDMO O=C1C[C@]2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)CN1 ZINC000839590937 680764465 /nfs/dbraw/zinc/76/44/65/680764465.db2.gz UXRFAUZGJBPDSW-CQSZACIVSA-N 1 1 354.204 2.069 20 5 FEBDMO O=C1C[C@]2(CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)CN1 ZINC000839590937 680764467 /nfs/dbraw/zinc/76/44/67/680764467.db2.gz UXRFAUZGJBPDSW-CQSZACIVSA-N 1 1 354.204 2.069 20 5 FEBDMO C[N@@H+](C[C@H](O)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CC1 ZINC000839653684 680769180 /nfs/dbraw/zinc/76/91/80/680769180.db2.gz BZKKIOBWAWVGFN-QMTHXVAHSA-N 1 1 365.327 2.382 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000765208183 680835543 /nfs/dbraw/zinc/83/55/43/680835543.db2.gz KTJWPLYJNNAIED-MFKMUULPSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000765208183 680835545 /nfs/dbraw/zinc/83/55/45/680835545.db2.gz KTJWPLYJNNAIED-MFKMUULPSA-N 1 1 373.862 2.318 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000840827774 680845216 /nfs/dbraw/zinc/84/52/16/680845216.db2.gz MOOGHZJVDPPIDG-UHFFFAOYSA-N 1 1 365.503 2.297 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+]1CCOCC1 ZINC000765522907 680845234 /nfs/dbraw/zinc/84/52/34/680845234.db2.gz SHIOGIMYOABACI-MRXNPFEDSA-N 1 1 350.415 2.429 20 5 FEBDMO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832283540 680120001 /nfs/dbraw/zinc/12/00/01/680120001.db2.gz BSMWOLYSXXWDDA-IUODEOHRSA-N 1 1 361.364 2.444 20 5 FEBDMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832283540 680120004 /nfs/dbraw/zinc/12/00/04/680120004.db2.gz BSMWOLYSXXWDDA-IUODEOHRSA-N 1 1 361.364 2.444 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000832690413 680166154 /nfs/dbraw/zinc/16/61/54/680166154.db2.gz GESOGFFYGIWWGA-SKDRFNHKSA-N 1 1 354.204 2.133 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCc2ccccc2Cl)CC1 ZINC000996442592 680332753 /nfs/dbraw/zinc/33/27/53/680332753.db2.gz YENQWIRTYXRGTO-GDBMZVCRSA-N 1 1 351.834 2.128 20 5 FEBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001045437726 680629637 /nfs/dbraw/zinc/62/96/37/680629637.db2.gz ZWKOYHRNGSFMBA-ZIAGYGMSSA-N 1 1 359.417 2.448 20 5 FEBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](CCCc2ccsc2)CC1 ZINC001045437304 680629931 /nfs/dbraw/zinc/62/99/31/680629931.db2.gz MNIDHXDFVCEWJK-HUUCEWRRSA-N 1 1 351.472 2.317 20 5 FEBDMO COc1cc(Cc2noc([C@H]([NH3+])CC(F)F)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843225558 680993398 /nfs/dbraw/zinc/99/33/98/680993398.db2.gz LJTYXKNVJHYOEQ-SECBINFHSA-N 1 1 358.301 2.241 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000769900886 680999545 /nfs/dbraw/zinc/99/95/45/680999545.db2.gz WPHZIDSDWFKZRD-LBPRGKRZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000769900886 680999547 /nfs/dbraw/zinc/99/95/47/680999547.db2.gz WPHZIDSDWFKZRD-LBPRGKRZSA-N 1 1 373.862 2.414 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000844022184 681031583 /nfs/dbraw/zinc/03/15/83/681031583.db2.gz KOVKGRZQOCDAON-TXEJJXNPSA-N 1 1 353.394 2.224 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000844022184 681031584 /nfs/dbraw/zinc/03/15/84/681031584.db2.gz KOVKGRZQOCDAON-TXEJJXNPSA-N 1 1 353.394 2.224 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000932475315 681251835 /nfs/dbraw/zinc/25/18/35/681251835.db2.gz SEIILZXKAALXTN-UHFFFAOYSA-N 1 1 366.487 2.026 20 5 FEBDMO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000932547729 681262933 /nfs/dbraw/zinc/26/29/33/681262933.db2.gz QQXFSFFDDPJAIS-SECBINFHSA-N 1 1 356.785 2.278 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000933433191 681410969 /nfs/dbraw/zinc/41/09/69/681410969.db2.gz CHBPMYMSGBWAMX-LDYMZIIASA-N 1 1 358.801 2.382 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 ZINC000933678175 681450047 /nfs/dbraw/zinc/45/00/47/681450047.db2.gz YOERLUVHUACELG-RDJZCZTQSA-N 1 1 350.415 2.491 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@H]2C[C@H]2CCOC2)cc1 ZINC000933678174 681450134 /nfs/dbraw/zinc/45/01/34/681450134.db2.gz YOERLUVHUACELG-NVXWUHKLSA-N 1 1 350.415 2.491 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOC[C@H]2CC2CCOCC2)c1 ZINC000934636845 681603528 /nfs/dbraw/zinc/60/35/28/681603528.db2.gz DXZRWWPOLVDCIS-MSOLQXFVSA-N 1 1 350.415 2.146 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCOC[C@H]2CC2CCOCC2)c1 ZINC000934636845 681603531 /nfs/dbraw/zinc/60/35/31/681603531.db2.gz DXZRWWPOLVDCIS-MSOLQXFVSA-N 1 1 350.415 2.146 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1F ZINC000849411485 681719961 /nfs/dbraw/zinc/71/99/61/681719961.db2.gz LFPVJRBIVUAZKH-GFCCVEGCSA-N 1 1 373.450 2.441 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000935443805 681751328 /nfs/dbraw/zinc/75/13/28/681751328.db2.gz PJDRNRFQZJUHMB-UHFFFAOYSA-N 1 1 371.235 2.106 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000935802767 681825852 /nfs/dbraw/zinc/82/58/52/681825852.db2.gz OQPQASNBFRIHPP-UHFFFAOYSA-N 1 1 351.794 2.453 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000781651825 681957843 /nfs/dbraw/zinc/95/78/43/681957843.db2.gz YJQLQMVFHWMBGX-YPMHNXCESA-N 1 1 350.375 2.035 20 5 FEBDMO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@@H+]1CCO ZINC000782031786 682000224 /nfs/dbraw/zinc/00/02/24/682000224.db2.gz LBSNGHSXNIEHIX-UHFFFAOYSA-N 1 1 356.810 2.169 20 5 FEBDMO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1CCO ZINC000782031786 682000232 /nfs/dbraw/zinc/00/02/32/682000232.db2.gz LBSNGHSXNIEHIX-UHFFFAOYSA-N 1 1 356.810 2.169 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914325500 685503984 /nfs/dbraw/zinc/50/39/84/685503984.db2.gz LSRBVQFOKJJBTN-HZPDHXFCSA-N 1 1 364.471 2.016 20 5 FEBDMO COc1ccc(OCCOC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000785738089 682322442 /nfs/dbraw/zinc/32/24/42/682322442.db2.gz ZYANBZADVBONEI-BETUJISGSA-N 1 1 352.387 2.398 20 5 FEBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000854571905 682566667 /nfs/dbraw/zinc/56/66/67/682566667.db2.gz ZPKGKYOOERYTLC-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000790272467 682664604 /nfs/dbraw/zinc/66/46/04/682664604.db2.gz PGUILAAATBFQHZ-NSHDSACASA-N 1 1 351.790 2.485 20 5 FEBDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859533086 683124140 /nfs/dbraw/zinc/12/41/40/683124140.db2.gz DZGOOGNQYBWCAU-HNNXBMFYSA-N 1 1 353.419 2.475 20 5 FEBDMO Cc1c[nH+]cn1CC(=O)O[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000859951737 683177048 /nfs/dbraw/zinc/17/70/48/683177048.db2.gz UAEPXIHSEDFVIW-SNVBAGLBSA-N 1 1 366.761 2.324 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc([N+](=O)[O-])c1C ZINC000928086568 683376251 /nfs/dbraw/zinc/37/62/51/683376251.db2.gz PQRHNJJRMSXFQQ-HIFRSBDPSA-N 1 1 365.455 2.221 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc([N+](=O)[O-])c1C ZINC000928086568 683376260 /nfs/dbraw/zinc/37/62/60/683376260.db2.gz PQRHNJJRMSXFQQ-HIFRSBDPSA-N 1 1 365.455 2.221 20 5 FEBDMO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000867681642 684351428 /nfs/dbraw/zinc/35/14/28/684351428.db2.gz KLHFMRRBGYTQQH-UHFFFAOYSA-N 1 1 361.851 2.353 20 5 FEBDMO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000867681642 684351436 /nfs/dbraw/zinc/35/14/36/684351436.db2.gz KLHFMRRBGYTQQH-UHFFFAOYSA-N 1 1 361.851 2.353 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000872663166 685000442 /nfs/dbraw/zinc/00/04/42/685000442.db2.gz JAXICSJSWDOPSV-HUUCEWRRSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000872663166 685000444 /nfs/dbraw/zinc/00/04/44/685000444.db2.gz JAXICSJSWDOPSV-HUUCEWRRSA-N 1 1 353.444 2.014 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000872666100 685001203 /nfs/dbraw/zinc/00/12/03/685001203.db2.gz SDIWDSMRWRBMFR-VXGBXAGGSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000872666100 685001205 /nfs/dbraw/zinc/00/12/05/685001205.db2.gz SDIWDSMRWRBMFR-VXGBXAGGSA-N 1 1 359.835 2.105 20 5 FEBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c(Br)c1 ZINC000872757674 685013608 /nfs/dbraw/zinc/01/36/08/685013608.db2.gz JMXQQEUOHCONOB-NWDGAFQWSA-N 1 1 356.220 2.003 20 5 FEBDMO C[C@]([NH3+])(C(=O)N1CCO[C@@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000876627473 686231642 /nfs/dbraw/zinc/23/16/42/686231642.db2.gz HXPKVMLZKAGODI-RHSMWYFYSA-N 1 1 361.423 2.430 20 5 FEBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000879708886 686892872 /nfs/dbraw/zinc/89/28/72/686892872.db2.gz QJJCGNKBSVVXSI-UHFFFAOYSA-N 1 1 371.821 2.314 20 5 FEBDMO COCC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000879710748 686893524 /nfs/dbraw/zinc/89/35/24/686893524.db2.gz JTYIYCDLUUXUAL-UHFFFAOYSA-N 1 1 352.387 2.009 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880586380 687063028 /nfs/dbraw/zinc/06/30/28/687063028.db2.gz OYZUOAVMOOHQEE-MRXNPFEDSA-N 1 1 350.415 2.357 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000881936265 687265292 /nfs/dbraw/zinc/26/52/92/687265292.db2.gz ZFKSJGJXMIXVBJ-MNOVXSKESA-N 1 1 361.851 2.318 20 5 FEBDMO CN1CC[N@@H+](C)C[C@@H]1CNc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000881967201 687272992 /nfs/dbraw/zinc/27/29/92/687272992.db2.gz BYKNQWQOWWWQLR-JTQLQIEISA-N 1 1 361.215 2.154 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884956016 687973886 /nfs/dbraw/zinc/97/38/86/687973886.db2.gz XPNJHFXWSJKMSO-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@]2(C)C1 ZINC000887932211 688522815 /nfs/dbraw/zinc/52/28/15/688522815.db2.gz ZDNAQPFJSNYDLI-BMIGLBTASA-N 1 1 368.231 2.381 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889745031 688815191 /nfs/dbraw/zinc/81/51/91/688815191.db2.gz QWDOLJQJEXRCDC-STQMWFEESA-N 1 1 371.796 2.059 20 5 FEBDMO CC1(C)CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000890075263 688875477 /nfs/dbraw/zinc/87/54/77/688875477.db2.gz FPCYOCZLEWMKIS-UHFFFAOYSA-N 1 1 367.471 2.141 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000894048447 689456275 /nfs/dbraw/zinc/45/62/75/689456275.db2.gz WKQGNLKDDMCSQR-WFASDCNBSA-N 1 1 352.822 2.136 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c(Br)c1 ZINC000897221089 689990352 /nfs/dbraw/zinc/99/03/52/689990352.db2.gz HCFNEWKXLZMYGX-CABCVRRESA-N 1 1 370.247 2.393 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000897221089 689990356 /nfs/dbraw/zinc/99/03/56/689990356.db2.gz HCFNEWKXLZMYGX-CABCVRRESA-N 1 1 370.247 2.393 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1OC(F)F ZINC000897221836 689990852 /nfs/dbraw/zinc/99/08/52/689990852.db2.gz PATTZPAJRRRPOC-CHWSQXEVSA-N 1 1 357.357 2.232 20 5 FEBDMO O=C1NCCN1CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000897582529 690044019 /nfs/dbraw/zinc/04/40/19/690044019.db2.gz AXAYDRWZLGSMSC-UHFFFAOYSA-N 1 1 352.822 2.485 20 5 FEBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000897624454 690051769 /nfs/dbraw/zinc/05/17/69/690051769.db2.gz KUHBOYDETVKTNT-ZBEGNZNMSA-N 1 1 355.341 2.284 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000903215991 690867989 /nfs/dbraw/zinc/86/79/89/690867989.db2.gz SAKMRUWAQDKDMA-LLVKDONJSA-N 1 1 359.835 2.025 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906411010 691265198 /nfs/dbraw/zinc/26/51/98/691265198.db2.gz LRSKNGOPRFQDFC-UHFFFAOYSA-N 1 1 369.849 2.362 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906522086 691279557 /nfs/dbraw/zinc/27/95/57/691279557.db2.gz GQNYGJNNIWLMQZ-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164867072 721063852 /nfs/dbraw/zinc/06/38/52/721063852.db2.gz HKZBHIGGRHLJQN-IAGOWNOFSA-N 1 1 369.425 2.173 20 5 FEBDMO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911990 721529589 /nfs/dbraw/zinc/52/95/89/721529589.db2.gz XYRUOKZXGBTCGO-GOEBONIOSA-N 1 1 373.388 2.174 20 5 FEBDMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164905976 721562639 /nfs/dbraw/zinc/56/26/39/721562639.db2.gz IHQXKDWKIAGPRW-HOCLYGCPSA-N 1 1 373.388 2.174 20 5 FEBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000026447300 539786237 /nfs/dbraw/zinc/78/62/37/539786237.db2.gz NNOYVEKCOLUVEL-UHFFFAOYSA-N 1 1 351.403 2.433 20 5 FEBDMO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000029930102 539869126 /nfs/dbraw/zinc/86/91/26/539869126.db2.gz RWSBKWGJPVKCNI-CYBMUJFWSA-N 1 1 370.409 2.413 20 5 FEBDMO CNC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000029930102 539869129 /nfs/dbraw/zinc/86/91/29/539869129.db2.gz RWSBKWGJPVKCNI-CYBMUJFWSA-N 1 1 370.409 2.413 20 5 FEBDMO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000029929672 539869202 /nfs/dbraw/zinc/86/92/02/539869202.db2.gz PAYNYUCAQURNKS-CYBMUJFWSA-N 1 1 370.409 2.413 20 5 FEBDMO CNC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000029929672 539869207 /nfs/dbraw/zinc/86/92/07/539869207.db2.gz PAYNYUCAQURNKS-CYBMUJFWSA-N 1 1 370.409 2.413 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000041362509 540017753 /nfs/dbraw/zinc/01/77/53/540017753.db2.gz ZWJCDZJESQNWAF-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)C(C)C)cc1OC ZINC000041928507 540040742 /nfs/dbraw/zinc/04/07/42/540040742.db2.gz SDJSCAGTLVELFY-UHFFFAOYSA-N 1 1 353.419 2.462 20 5 FEBDMO CCC(CC)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)[NH+]1CCOCC1 ZINC000043484328 540101913 /nfs/dbraw/zinc/10/19/13/540101913.db2.gz IHVHVUFTFITIJV-QGZVFWFLSA-N 1 1 364.446 2.165 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000046980835 540281875 /nfs/dbraw/zinc/28/18/75/540281875.db2.gz UGSVVFARBKRQHU-OAHLLOKOSA-N 1 1 371.441 2.482 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000047142582 540292298 /nfs/dbraw/zinc/29/22/98/540292298.db2.gz AQFIKZQXNRREHA-ZDUSSCGKSA-N 1 1 363.414 2.376 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000052247557 540460507 /nfs/dbraw/zinc/46/05/07/540460507.db2.gz QDIOEXPYDHHMJM-CYBMUJFWSA-N 1 1 370.475 2.166 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000052931257 540500489 /nfs/dbraw/zinc/50/04/89/540500489.db2.gz NNOBVHMWEZMLAC-HNNXBMFYSA-N 1 1 374.441 2.162 20 5 FEBDMO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000056385441 540722621 /nfs/dbraw/zinc/72/26/21/540722621.db2.gz SXYBJRRKLVQUHG-WMLDXEAASA-N 1 1 364.446 2.312 20 5 FEBDMO COCCC[N@@H+](CCOC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000063550005 541173039 /nfs/dbraw/zinc/17/30/39/541173039.db2.gz IMUUCYPJTASQKF-UHFFFAOYSA-N 1 1 353.419 2.217 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065424220 541237422 /nfs/dbraw/zinc/23/74/22/541237422.db2.gz ZVJZMHJCKPQNMK-LBPRGKRZSA-N 1 1 351.403 2.431 20 5 FEBDMO O=C([C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1)N1CCSCC1 ZINC000067117771 541419287 /nfs/dbraw/zinc/41/92/87/541419287.db2.gz ULBHKATUFXEIKZ-MRXNPFEDSA-N 1 1 365.455 2.013 20 5 FEBDMO O=C([C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1)N1CCSCC1 ZINC000067117771 541419290 /nfs/dbraw/zinc/41/92/90/541419290.db2.gz ULBHKATUFXEIKZ-MRXNPFEDSA-N 1 1 365.455 2.013 20 5 FEBDMO Cc1c(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000067380123 541452579 /nfs/dbraw/zinc/45/25/79/541452579.db2.gz XWZDOANERWXMHN-UHFFFAOYSA-N 1 1 370.409 2.090 20 5 FEBDMO CC(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067419439 541461767 /nfs/dbraw/zinc/46/17/67/541461767.db2.gz BKPDHZAYKWEMKB-OAHLLOKOSA-N 1 1 362.430 2.080 20 5 FEBDMO C[N@@H+](CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000068904110 541639015 /nfs/dbraw/zinc/63/90/15/541639015.db2.gz PUOGPNJMDRMGCI-UHFFFAOYSA-N 1 1 372.429 2.170 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069129489 541661930 /nfs/dbraw/zinc/66/19/30/541661930.db2.gz BLWMFUUCZZJBLQ-SECBINFHSA-N 1 1 361.851 2.318 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000069527352 541694098 /nfs/dbraw/zinc/69/40/98/541694098.db2.gz KGQHXWMNFDWCKN-HNNXBMFYSA-N 1 1 362.430 2.010 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000069797666 541713559 /nfs/dbraw/zinc/71/35/59/541713559.db2.gz MDTNOHLKXXHJJB-CYBMUJFWSA-N 1 1 350.375 2.052 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC[S@](=O)c3ccccc3)C2)nc1 ZINC000072665204 541847079 /nfs/dbraw/zinc/84/70/79/541847079.db2.gz GMYOFUKVVFJEKT-HWRSSNJWSA-N 1 1 360.439 2.284 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072716585 541856299 /nfs/dbraw/zinc/85/62/99/541856299.db2.gz MSDHPRINCPNJQZ-INIZCTEOSA-N 1 1 367.471 2.088 20 5 FEBDMO CCn1cc(C[N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cn1 ZINC000072983101 541903584 /nfs/dbraw/zinc/90/35/84/541903584.db2.gz XMJZQOHXIQPFII-UHFFFAOYSA-N 1 1 361.402 2.280 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000074320872 542069976 /nfs/dbraw/zinc/06/99/76/542069976.db2.gz VAIMAFWOKGGRHA-LBPRGKRZSA-N 1 1 350.394 2.120 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000076639673 542303963 /nfs/dbraw/zinc/30/39/63/542303963.db2.gz VSQHQVJORWHPFX-OAHLLOKOSA-N 1 1 374.441 2.222 20 5 FEBDMO C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000030029488 208001101 /nfs/dbraw/zinc/00/11/01/208001101.db2.gz VNYZHCKCRIODTR-GOSISDBHSA-N 1 1 355.394 2.489 20 5 FEBDMO C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000030029488 208001107 /nfs/dbraw/zinc/00/11/07/208001107.db2.gz VNYZHCKCRIODTR-GOSISDBHSA-N 1 1 355.394 2.489 20 5 FEBDMO CN1CC[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000047254451 208376770 /nfs/dbraw/zinc/37/67/70/208376770.db2.gz JWVQZDRXGLHQRS-UHFFFAOYSA-N 1 1 368.437 2.272 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000109028044 132244295 /nfs/dbraw/zinc/24/42/95/132244295.db2.gz GVCLJAXYIMTEAM-HNNXBMFYSA-N 1 1 358.442 2.164 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000088600250 542754800 /nfs/dbraw/zinc/75/48/00/542754800.db2.gz HAMXALOUMPSZGX-GFCCVEGCSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000088600250 542754803 /nfs/dbraw/zinc/75/48/03/542754803.db2.gz HAMXALOUMPSZGX-GFCCVEGCSA-N 1 1 351.403 2.289 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000091479734 542809748 /nfs/dbraw/zinc/80/97/48/542809748.db2.gz FTPLLUKJWPPAQN-LLVKDONJSA-N 1 1 361.358 2.411 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000093962012 542946931 /nfs/dbraw/zinc/94/69/31/542946931.db2.gz PDFIBCHNQNFJFV-UHFFFAOYSA-N 1 1 362.474 2.277 20 5 FEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000104103627 543123791 /nfs/dbraw/zinc/12/37/91/543123791.db2.gz UCLGJBMFSKJYCD-UHFFFAOYSA-N 1 1 361.851 2.273 20 5 FEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 ZINC000104103627 543123792 /nfs/dbraw/zinc/12/37/92/543123792.db2.gz UCLGJBMFSKJYCD-UHFFFAOYSA-N 1 1 361.851 2.273 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000106097869 543195235 /nfs/dbraw/zinc/19/52/35/543195235.db2.gz BQKKXQNWMJQSKH-HUUCEWRRSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H](O)CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000106097869 543195237 /nfs/dbraw/zinc/19/52/37/543195237.db2.gz BQKKXQNWMJQSKH-HUUCEWRRSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H](O)CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000106097869 543195239 /nfs/dbraw/zinc/19/52/39/543195239.db2.gz BQKKXQNWMJQSKH-HUUCEWRRSA-N 1 1 374.441 2.179 20 5 FEBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110958829 543375853 /nfs/dbraw/zinc/37/58/53/543375853.db2.gz ORZMWFCVOPYTOJ-DVBCCOPCSA-N 1 1 359.426 2.321 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000111348518 543398254 /nfs/dbraw/zinc/39/82/54/543398254.db2.gz CZQNKPHIPJMCDM-CQSZACIVSA-N 1 1 363.439 2.394 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000113301443 543483342 /nfs/dbraw/zinc/48/33/42/543483342.db2.gz IGJUYIGFZPSFNP-ZDUSSCGKSA-N 1 1 371.459 2.146 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000115660328 543580208 /nfs/dbraw/zinc/58/02/08/543580208.db2.gz QKDAIJZZSNVNGA-UHFFFAOYSA-N 1 1 351.366 2.343 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000115859023 543590832 /nfs/dbraw/zinc/59/08/32/543590832.db2.gz SMPOXMGTNXPGLS-CHWSQXEVSA-N 1 1 365.430 2.221 20 5 FEBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000123870082 543788505 /nfs/dbraw/zinc/78/85/05/543788505.db2.gz XFBGRQMCAPRJSM-LBPRGKRZSA-N 1 1 356.220 2.458 20 5 FEBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCCCNC1=O ZINC000123870082 543788507 /nfs/dbraw/zinc/78/85/07/543788507.db2.gz XFBGRQMCAPRJSM-LBPRGKRZSA-N 1 1 356.220 2.458 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000125157042 543864103 /nfs/dbraw/zinc/86/41/03/543864103.db2.gz RXVPHXYMQPHFHD-BETUJISGSA-N 1 1 350.419 2.183 20 5 FEBDMO C[C@H](C[S@](C)=O)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126387593 543932745 /nfs/dbraw/zinc/93/27/45/543932745.db2.gz UYDQBBCLJXYXCR-OIRASMEMSA-N 1 1 351.428 2.491 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@H+]1C1CC1 ZINC000127571510 544000940 /nfs/dbraw/zinc/00/09/40/544000940.db2.gz XAECFSKCIYYATM-LSDHHAIUSA-N 1 1 373.457 2.052 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000130682290 544161058 /nfs/dbraw/zinc/16/10/58/544161058.db2.gz VAIVFSHXEJRHLW-UHFFFAOYSA-N 1 1 369.381 2.104 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134050246 544292520 /nfs/dbraw/zinc/29/25/20/544292520.db2.gz VCMCMVURWJLJHJ-CQSZACIVSA-N 1 1 360.414 2.043 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1C ZINC000152916678 544710986 /nfs/dbraw/zinc/71/09/86/544710986.db2.gz OLRRIKOLSCPOKV-HOCLYGCPSA-N 1 1 367.471 2.316 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000152938752 544713849 /nfs/dbraw/zinc/71/38/49/544713849.db2.gz IZMIMAWVNWPPTL-OLZOCXBDSA-N 1 1 351.403 2.167 20 5 FEBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCC[N@@H+](C)C1 ZINC000153217126 544747465 /nfs/dbraw/zinc/74/74/65/544747465.db2.gz FHWASWPQFCGZBB-ZDUSSCGKSA-N 1 1 370.247 2.452 20 5 FEBDMO Cc1c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000153561520 544791139 /nfs/dbraw/zinc/79/11/39/544791139.db2.gz LROMDNLDZHVBRB-LBPRGKRZSA-N 1 1 350.375 2.286 20 5 FEBDMO COc1ccc(CSCC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000153582762 544794292 /nfs/dbraw/zinc/79/42/92/544794292.db2.gz OTBLJUTUYUAYPJ-AWEZNQCLSA-N 1 1 367.471 2.389 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(OCCCO)CC2)cccc1[N+](=O)[O-] ZINC000154943837 544968481 /nfs/dbraw/zinc/96/84/81/544968481.db2.gz PECZXJNBUPNRGE-AWEZNQCLSA-N 1 1 365.430 2.094 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000155073904 544985016 /nfs/dbraw/zinc/98/50/16/544985016.db2.gz KEOCBNKJHLFAFG-MRXNPFEDSA-N 1 1 367.471 2.279 20 5 FEBDMO COC(=O)c1cc(C)nc(N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000553067885 674236440 /nfs/dbraw/zinc/23/64/40/674236440.db2.gz LGVLRURXBXNJRD-ZDUSSCGKSA-N 1 1 350.419 2.395 20 5 FEBDMO CC[C@@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000187587935 328034904 /nfs/dbraw/zinc/03/49/04/328034904.db2.gz AFQWGLJLISUYKV-GOSISDBHSA-N 1 1 365.430 2.417 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000188825485 328112863 /nfs/dbraw/zinc/11/28/63/328112863.db2.gz GRDNTSXRAKOVIG-OAHLLOKOSA-N 1 1 350.419 2.382 20 5 FEBDMO COC(=O)C[C@H]1CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189252718 328137321 /nfs/dbraw/zinc/13/73/21/328137321.db2.gz OULRFNLGOQVZNP-LLVKDONJSA-N 1 1 353.350 2.090 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189346575 328142018 /nfs/dbraw/zinc/14/20/18/328142018.db2.gz XUEJIGSJNFNCPA-WBMJQRKESA-N 1 1 351.403 2.289 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189346599 328142070 /nfs/dbraw/zinc/14/20/70/328142070.db2.gz XUEJIGSJNFNCPA-LRDDRELGSA-N 1 1 351.403 2.289 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000189444816 328148758 /nfs/dbraw/zinc/14/87/58/328148758.db2.gz NZYXSTBTTGYTIY-AWEZNQCLSA-N 1 1 366.462 2.298 20 5 FEBDMO CCc1n[nH]c(C2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000190656557 328222673 /nfs/dbraw/zinc/22/26/73/328222673.db2.gz XBCJTYYQUSHKPW-LBPRGKRZSA-N 1 1 372.429 2.482 20 5 FEBDMO CCc1nnc(C2CCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000190656557 328222674 /nfs/dbraw/zinc/22/26/74/328222674.db2.gz XBCJTYYQUSHKPW-LBPRGKRZSA-N 1 1 372.429 2.482 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000191324413 328260213 /nfs/dbraw/zinc/26/02/13/328260213.db2.gz LAQSLPIGRVVQBX-GFCCVEGCSA-N 1 1 350.419 2.301 20 5 FEBDMO Cc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000010090529 324366438 /nfs/dbraw/zinc/36/64/38/324366438.db2.gz GKNWGTNTPKEZFP-KRWDZBQOSA-N 1 1 363.439 2.484 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000090589646 325364891 /nfs/dbraw/zinc/36/48/91/325364891.db2.gz FUISCXSMQIGUIW-SFHVURJKSA-N 1 1 357.410 2.030 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116756842 326031975 /nfs/dbraw/zinc/03/19/75/326031975.db2.gz UHVGKUYOKLBNBM-LBPRGKRZSA-N 1 1 355.822 2.475 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000118113017 326081977 /nfs/dbraw/zinc/08/19/77/326081977.db2.gz BBTNCUGOFRZNLX-CQSZACIVSA-N 1 1 362.430 2.078 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000119729706 326192287 /nfs/dbraw/zinc/19/22/87/326192287.db2.gz UBJWTMPZKQCJIJ-UHFFFAOYSA-N 1 1 370.456 2.033 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000120679721 326278177 /nfs/dbraw/zinc/27/81/77/326278177.db2.gz GDNDYMGDWZEINT-PWSUYJOCSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000120954587 326302093 /nfs/dbraw/zinc/30/20/93/326302093.db2.gz CGDKQXUJEYFJJM-HZPDHXFCSA-N 1 1 367.471 2.026 20 5 FEBDMO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000121712558 326360234 /nfs/dbraw/zinc/36/02/34/326360234.db2.gz JEUAGCAPZRJLIN-UHFFFAOYSA-N 1 1 361.851 2.104 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000122421847 326396087 /nfs/dbraw/zinc/39/60/87/326396087.db2.gz IHHBWEXPUPPJOC-HIFRSBDPSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000130689285 326561483 /nfs/dbraw/zinc/56/14/83/326561483.db2.gz YCJLCKHRKHAANM-UHFFFAOYSA-N 1 1 368.397 2.448 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000163961621 327062007 /nfs/dbraw/zinc/06/20/07/327062007.db2.gz CZEKAOYMEGSLCS-HNNXBMFYSA-N 1 1 369.487 2.131 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)n2)c1 ZINC000171378517 327135710 /nfs/dbraw/zinc/13/57/10/327135710.db2.gz GAMQKKFDLLWPDL-CYBMUJFWSA-N 1 1 360.370 2.230 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](C4OCCO4)C3)n2)c1 ZINC000171378517 327135711 /nfs/dbraw/zinc/13/57/11/327135711.db2.gz GAMQKKFDLLWPDL-CYBMUJFWSA-N 1 1 360.370 2.230 20 5 FEBDMO O=C(CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)NC1CCCCC1 ZINC000171393615 327136807 /nfs/dbraw/zinc/13/68/07/327136807.db2.gz CXFHUPOIFOWFQG-UHFFFAOYSA-N 1 1 374.485 2.204 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000171809465 327162928 /nfs/dbraw/zinc/16/29/28/327162928.db2.gz TUZOLNYBABWYHA-HNNXBMFYSA-N 1 1 371.441 2.175 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000173261913 327244905 /nfs/dbraw/zinc/24/49/05/327244905.db2.gz DPTKRTHNMONDTQ-HIFRSBDPSA-N 1 1 355.460 2.254 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000173792368 327284264 /nfs/dbraw/zinc/28/42/64/327284264.db2.gz HFHXWTLZSXTJQJ-AWEZNQCLSA-N 1 1 365.430 2.173 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173828179 327287108 /nfs/dbraw/zinc/28/71/08/327287108.db2.gz AAKBMMJSKXQFMR-ZIAGYGMSSA-N 1 1 353.444 2.151 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)s1 ZINC000173865073 327289935 /nfs/dbraw/zinc/28/99/35/327289935.db2.gz SRWJRMHWUMHNFZ-LBPRGKRZSA-N 1 1 359.473 2.199 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCSCC1 ZINC000264776981 329059504 /nfs/dbraw/zinc/05/95/04/329059504.db2.gz HOEBSYOLJUNHLI-GFCCVEGCSA-N 1 1 355.485 2.240 20 5 FEBDMO COc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000265220315 329103591 /nfs/dbraw/zinc/10/35/91/329103591.db2.gz KOEUWTXCBNOZLC-AWEZNQCLSA-N 1 1 350.419 2.087 20 5 FEBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)CC1 ZINC000266348200 329213702 /nfs/dbraw/zinc/21/37/02/329213702.db2.gz JBSFPERJLMKFSM-CQSZACIVSA-N 1 1 370.400 2.412 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266713156 329252228 /nfs/dbraw/zinc/25/22/28/329252228.db2.gz JREDNKORTQAKLY-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000266931422 329274143 /nfs/dbraw/zinc/27/41/43/329274143.db2.gz PXHHVYHONHHQAA-CYBMUJFWSA-N 1 1 364.402 2.004 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000267437878 329327542 /nfs/dbraw/zinc/32/75/42/329327542.db2.gz NXUJMMFVZKACDL-YOEHRIQHSA-N 1 1 371.441 2.127 20 5 FEBDMO COc1ccc(NC(=O)C[NH+]2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000272759948 329811311 /nfs/dbraw/zinc/81/13/11/329811311.db2.gz ABPSBYXSCCXYDP-UHFFFAOYSA-N 1 1 351.403 2.026 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1CC(C)(C)O ZINC000275571066 330064905 /nfs/dbraw/zinc/06/49/05/330064905.db2.gz JMOBNRIAXKHZEA-LBPRGKRZSA-N 1 1 361.398 2.258 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1CC(C)(C)O ZINC000275571066 330064906 /nfs/dbraw/zinc/06/49/06/330064906.db2.gz JMOBNRIAXKHZEA-LBPRGKRZSA-N 1 1 361.398 2.258 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000364816157 330207127 /nfs/dbraw/zinc/20/71/27/330207127.db2.gz DGRIZGOBXZIDFF-UHFFFAOYSA-N 1 1 357.414 2.364 20 5 FEBDMO C[C@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440836265 330276070 /nfs/dbraw/zinc/27/60/70/330276070.db2.gz ZEVOSKOWVVCTKQ-GMSGAONNSA-N 1 1 368.242 2.320 20 5 FEBDMO COc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)ccc1[N+](=O)[O-] ZINC000160707177 518132753 /nfs/dbraw/zinc/13/27/53/518132753.db2.gz NLQDJFJTIIUYNV-UHFFFAOYSA-N 1 1 367.365 2.423 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@H+]1C ZINC000158423158 545859361 /nfs/dbraw/zinc/85/93/61/545859361.db2.gz LEVCSZOABGJFSX-KBPBESRZSA-N 1 1 357.414 2.335 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000158573862 545873160 /nfs/dbraw/zinc/87/31/60/545873160.db2.gz VBVNWDUAWFUPID-GFCCVEGCSA-N 1 1 371.434 2.371 20 5 FEBDMO COC(=O)[C@H](C)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000171302344 546201858 /nfs/dbraw/zinc/20/18/58/546201858.db2.gz OEYLRMNXBTUCFU-LLVKDONJSA-N 1 1 360.370 2.418 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000171302344 546201861 /nfs/dbraw/zinc/20/18/61/546201861.db2.gz OEYLRMNXBTUCFU-LLVKDONJSA-N 1 1 360.370 2.418 20 5 FEBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000479798905 561197279 /nfs/dbraw/zinc/19/72/79/561197279.db2.gz AOGXCENADMQMTI-CYBMUJFWSA-N 1 1 365.405 2.497 20 5 FEBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000176239323 546423309 /nfs/dbraw/zinc/42/33/09/546423309.db2.gz HZZPSNMJNCVJNG-CQSZACIVSA-N 1 1 363.805 2.182 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000176239323 546423312 /nfs/dbraw/zinc/42/33/12/546423312.db2.gz HZZPSNMJNCVJNG-CQSZACIVSA-N 1 1 363.805 2.182 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000177205868 546569557 /nfs/dbraw/zinc/56/95/57/546569557.db2.gz DVBYBEWPPVXCAJ-NWDGAFQWSA-N 1 1 363.414 2.357 20 5 FEBDMO Cc1cnc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cn1 ZINC000481181573 561227355 /nfs/dbraw/zinc/22/73/55/561227355.db2.gz NOBZFBATFLGJRI-UHFFFAOYSA-N 1 1 367.413 2.282 20 5 FEBDMO Cc1cc(N2CCC(NC(=O)Cc3ccccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000178187390 546755736 /nfs/dbraw/zinc/75/57/36/546755736.db2.gz BTOYEPLJPWFZLF-UHFFFAOYSA-N 1 1 369.425 2.329 20 5 FEBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCC[C@H]1O ZINC000481357932 561231392 /nfs/dbraw/zinc/23/13/92/561231392.db2.gz HDPXDMUSPLKSNS-CZUORRHYSA-N 1 1 363.414 2.376 20 5 FEBDMO C[C@H](N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000178743005 546841536 /nfs/dbraw/zinc/84/15/36/546841536.db2.gz XNIKHVMOUVCOEG-LBPRGKRZSA-N 1 1 374.363 2.492 20 5 FEBDMO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000178944542 546877742 /nfs/dbraw/zinc/87/77/42/546877742.db2.gz KCOJQWGSBZXUEE-CABCVRRESA-N 1 1 369.487 2.177 20 5 FEBDMO COCCO[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000179356914 546939020 /nfs/dbraw/zinc/93/90/20/546939020.db2.gz CGMGWETXENPRIE-HNNXBMFYSA-N 1 1 362.386 2.272 20 5 FEBDMO COCCO[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000179356914 546939023 /nfs/dbraw/zinc/93/90/23/546939023.db2.gz CGMGWETXENPRIE-HNNXBMFYSA-N 1 1 362.386 2.272 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000179505855 546966862 /nfs/dbraw/zinc/96/68/62/546966862.db2.gz YGCQKEKBFPFDPB-AWEZNQCLSA-N 1 1 370.413 2.069 20 5 FEBDMO COc1ccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](CO)C(C)C)cc1 ZINC000179929994 547030057 /nfs/dbraw/zinc/03/00/57/547030057.db2.gz YBFRZKALKPQZRA-GOSISDBHSA-N 1 1 362.430 2.319 20 5 FEBDMO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000482881537 561262075 /nfs/dbraw/zinc/26/20/75/561262075.db2.gz NYPPBMYDWJHGRB-ZDUSSCGKSA-N 1 1 357.863 2.344 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000181094561 547248122 /nfs/dbraw/zinc/24/81/22/547248122.db2.gz SXQTXQKHMNTEEW-ZDUSSCGKSA-N 1 1 361.402 2.149 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000483116926 561267891 /nfs/dbraw/zinc/26/78/91/561267891.db2.gz GJWUZAIZPKSFCP-OKILXGFUSA-N 1 1 372.425 2.462 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000483116926 561267892 /nfs/dbraw/zinc/26/78/92/561267892.db2.gz GJWUZAIZPKSFCP-OKILXGFUSA-N 1 1 372.425 2.462 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1C ZINC000181162709 547262045 /nfs/dbraw/zinc/26/20/45/547262045.db2.gz OPNMNGZPTVJOQF-XNJGSVPQSA-N 1 1 360.414 2.029 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181290301 547288142 /nfs/dbraw/zinc/28/81/42/547288142.db2.gz MKPAMSZZBLIWES-HNNXBMFYSA-N 1 1 367.413 2.456 20 5 FEBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000181349627 547299002 /nfs/dbraw/zinc/29/90/02/547299002.db2.gz ZBNNRJIMPBSJKM-SWLSCSKDSA-N 1 1 373.409 2.412 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000181404564 547308952 /nfs/dbraw/zinc/30/89/52/547308952.db2.gz QPTVGADVVYFRRM-JSGCOSHPSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000181469990 547319581 /nfs/dbraw/zinc/31/95/81/547319581.db2.gz IDGZSEGMPHMARF-CYBMUJFWSA-N 1 1 358.398 2.500 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000181469990 547319585 /nfs/dbraw/zinc/31/95/85/547319585.db2.gz IDGZSEGMPHMARF-CYBMUJFWSA-N 1 1 358.398 2.500 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000181467612 547320290 /nfs/dbraw/zinc/32/02/90/547320290.db2.gz WSLFTSLSSMKDSQ-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000181467612 547320295 /nfs/dbraw/zinc/32/02/95/547320295.db2.gz WSLFTSLSSMKDSQ-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO O=C(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCOCC1 ZINC000182043063 547427245 /nfs/dbraw/zinc/42/72/45/547427245.db2.gz XSPKVHYFOBJAMT-UHFFFAOYSA-N 1 1 367.833 2.319 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000182851035 547561933 /nfs/dbraw/zinc/56/19/33/547561933.db2.gz NUNJJZURVKYPKM-MAUKXSAKSA-N 1 1 360.458 2.203 20 5 FEBDMO C[S@](=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183073813 547596947 /nfs/dbraw/zinc/59/69/47/547596947.db2.gz SDNZYLVVOIXDTA-MQNRADLISA-N 1 1 361.423 2.243 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183204107 547620184 /nfs/dbraw/zinc/62/01/84/547620184.db2.gz MGOHDDHIHXABQA-MNOVXSKESA-N 1 1 360.357 2.450 20 5 FEBDMO CN(C(=O)C[N@H+]1CCC[C@H](C2(C)OCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000183860789 547730537 /nfs/dbraw/zinc/73/05/37/547730537.db2.gz KJQWJGUBKUZHRA-AWEZNQCLSA-N 1 1 363.414 2.033 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000184570431 547847928 /nfs/dbraw/zinc/84/79/28/547847928.db2.gz XFOXNBZCJOGMFC-UKRRQHHQSA-N 1 1 355.460 2.087 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000184923380 547901542 /nfs/dbraw/zinc/90/15/42/547901542.db2.gz CIYSBJQBGMUMOU-MRXNPFEDSA-N 1 1 371.441 2.373 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000184923380 547901546 /nfs/dbraw/zinc/90/15/46/547901546.db2.gz CIYSBJQBGMUMOU-MRXNPFEDSA-N 1 1 371.441 2.373 20 5 FEBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[N@H+]1CCO ZINC000485421208 561318862 /nfs/dbraw/zinc/31/88/62/561318862.db2.gz YQNAOZIOALSEJO-ZDUSSCGKSA-N 1 1 360.389 2.299 20 5 FEBDMO C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713758 548024270 /nfs/dbraw/zinc/02/42/70/548024270.db2.gz CGMHOIPNDCUPHO-BBRMVZONSA-N 1 1 360.458 2.436 20 5 FEBDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485561260 561322570 /nfs/dbraw/zinc/32/25/70/561322570.db2.gz SMBLNVCHBNJQCA-ZYHUDNBSSA-N 1 1 374.363 2.339 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000485594056 561323477 /nfs/dbraw/zinc/32/34/77/561323477.db2.gz UJSVDJLRLRYCAO-LBPRGKRZSA-N 1 1 366.393 2.451 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000485620088 561324164 /nfs/dbraw/zinc/32/41/64/561324164.db2.gz LJQYQZXDRIUQKM-TXEJJXNPSA-N 1 1 371.384 2.031 20 5 FEBDMO O=C(NC1CCN(Cc2ccncc2)CC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000185921439 548059186 /nfs/dbraw/zinc/05/91/86/548059186.db2.gz AQMNWHRHQWQGGC-UHFFFAOYSA-N 1 1 356.382 2.090 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185979326 548068558 /nfs/dbraw/zinc/06/85/58/548068558.db2.gz SRSKNFHPHADHTF-CQSZACIVSA-N 1 1 355.460 2.241 20 5 FEBDMO CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186335715 548121053 /nfs/dbraw/zinc/12/10/53/548121053.db2.gz KTXDGZPNVJIWCZ-INIZCTEOSA-N 1 1 371.441 2.373 20 5 FEBDMO C[C@@]1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000194035964 548426390 /nfs/dbraw/zinc/42/63/90/548426390.db2.gz QESAJOOGAYVKHK-IBGZPJMESA-N 1 1 370.409 2.480 20 5 FEBDMO Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000194754249 548527699 /nfs/dbraw/zinc/52/76/99/548527699.db2.gz UDRKGIOLQFOUCQ-HNNXBMFYSA-N 1 1 354.410 2.429 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000195459605 548643593 /nfs/dbraw/zinc/64/35/93/548643593.db2.gz GTAMTTNPMHYDFG-OKILXGFUSA-N 1 1 366.487 2.287 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C ZINC000487983016 561380694 /nfs/dbraw/zinc/38/06/94/561380694.db2.gz TYNNQPWFCMLIAS-QILLFSRXSA-N 1 1 352.431 2.472 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245545109 548943641 /nfs/dbraw/zinc/94/36/41/548943641.db2.gz LOMFNIVHWFRRPC-BLLLJJGKSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245545109 548943646 /nfs/dbraw/zinc/94/36/46/548943646.db2.gz LOMFNIVHWFRRPC-BLLLJJGKSA-N 1 1 351.403 2.025 20 5 FEBDMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000245545404 548943724 /nfs/dbraw/zinc/94/37/24/548943724.db2.gz CIBAGQLKNJUDSS-ZWKOTPCHSA-N 1 1 370.409 2.352 20 5 FEBDMO O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000245990238 549032145 /nfs/dbraw/zinc/03/21/45/549032145.db2.gz WTCBRGZCEIIFII-UONOGXRCSA-N 1 1 361.423 2.022 20 5 FEBDMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000245990238 549032148 /nfs/dbraw/zinc/03/21/48/549032148.db2.gz WTCBRGZCEIIFII-UONOGXRCSA-N 1 1 361.423 2.022 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246445326 549134549 /nfs/dbraw/zinc/13/45/49/549134549.db2.gz BOHPKWISTYWBHB-SUMWQHHRSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000247217274 549300919 /nfs/dbraw/zinc/30/09/19/549300919.db2.gz XJMNXUDVPWQHNL-ZFWWWQNUSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000248342060 549420964 /nfs/dbraw/zinc/42/09/64/549420964.db2.gz JHLKFLMAMMEMHR-UKRRQHHQSA-N 1 1 355.460 2.172 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000248454778 549442898 /nfs/dbraw/zinc/44/28/98/549442898.db2.gz KMELUXVLZOCLBA-AEFFLSMTSA-N 1 1 372.421 2.316 20 5 FEBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000248825512 549507575 /nfs/dbraw/zinc/50/75/75/549507575.db2.gz XBIFHGIYYFPQBV-NEPJUHHUSA-N 1 1 350.341 2.063 20 5 FEBDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249073697 549546069 /nfs/dbraw/zinc/54/60/69/549546069.db2.gz APWNDNUQTJIHSK-UONOGXRCSA-N 1 1 364.446 2.142 20 5 FEBDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249073699 549546074 /nfs/dbraw/zinc/54/60/74/549546074.db2.gz APWNDNUQTJIHSK-ZIAGYGMSSA-N 1 1 364.446 2.142 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000249227595 549571377 /nfs/dbraw/zinc/57/13/77/549571377.db2.gz VDTXMRBXDQETLM-GJZGRUSLSA-N 1 1 374.441 2.235 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249583261 549607453 /nfs/dbraw/zinc/60/74/53/549607453.db2.gz RYMNPCLIEHOITL-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1nn(CCC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263702123 549921991 /nfs/dbraw/zinc/92/19/91/549921991.db2.gz UONGHXNAMKVBEK-QGZVFWFLSA-N 1 1 371.441 2.314 20 5 FEBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263702123 549921993 /nfs/dbraw/zinc/92/19/93/549921993.db2.gz UONGHXNAMKVBEK-QGZVFWFLSA-N 1 1 371.441 2.314 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000263946103 549958651 /nfs/dbraw/zinc/95/86/51/549958651.db2.gz JOXBVUHIIRNWOB-UHFFFAOYSA-N 1 1 350.419 2.229 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000268577464 550089352 /nfs/dbraw/zinc/08/93/52/550089352.db2.gz SJBOTLUWQOQBKO-KRWDZBQOSA-N 1 1 360.458 2.227 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c2c(c1)COCO2 ZINC000268958863 550137404 /nfs/dbraw/zinc/13/74/04/550137404.db2.gz HTMHMOWFKATJCY-GJZGRUSLSA-N 1 1 352.412 2.168 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c2c(c1)COCO2 ZINC000268958863 550137406 /nfs/dbraw/zinc/13/74/06/550137406.db2.gz HTMHMOWFKATJCY-GJZGRUSLSA-N 1 1 352.412 2.168 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000269049940 550149174 /nfs/dbraw/zinc/14/91/74/550149174.db2.gz XOFWPPBKBJETKT-DOTOQJQBSA-N 1 1 356.426 2.492 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121253 550157754 /nfs/dbraw/zinc/15/77/54/550157754.db2.gz DBWPSLLWCWILJR-MAUKXSAKSA-N 1 1 356.426 2.492 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000270785278 550306691 /nfs/dbraw/zinc/30/66/91/550306691.db2.gz VBZDCAGFFBXQTG-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270803580 550308470 /nfs/dbraw/zinc/30/84/70/550308470.db2.gz OAUAGITYTWCIQS-AWEZNQCLSA-N 1 1 357.414 2.065 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271132525 550343584 /nfs/dbraw/zinc/34/35/84/550343584.db2.gz QKQGVBWTROMUHS-CQSZACIVSA-N 1 1 371.441 2.490 20 5 FEBDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271577960 550386752 /nfs/dbraw/zinc/38/67/52/550386752.db2.gz PPGGFRVEPSQLEB-JTQLQIEISA-N 1 1 355.416 2.335 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@H]21 ZINC000272287618 550434534 /nfs/dbraw/zinc/43/45/34/550434534.db2.gz UYMDHVZCULTBQV-ZWNOBZJWSA-N 1 1 361.427 2.156 20 5 FEBDMO CC[N@@H+]1CC[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000272819327 550472075 /nfs/dbraw/zinc/47/20/75/550472075.db2.gz IMRAUIBZTPJCDA-QWRGUYRKSA-N 1 1 361.489 2.226 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000272819327 550472076 /nfs/dbraw/zinc/47/20/76/550472076.db2.gz IMRAUIBZTPJCDA-QWRGUYRKSA-N 1 1 361.489 2.226 20 5 FEBDMO C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272911352 550476407 /nfs/dbraw/zinc/47/64/07/550476407.db2.gz GJGYGZOHPNOABU-AWEZNQCLSA-N 1 1 360.366 2.195 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273995028 550518537 /nfs/dbraw/zinc/51/85/37/550518537.db2.gz YGBGQIJIASDODL-UHFFFAOYSA-N 1 1 367.421 2.192 20 5 FEBDMO C[N@@H+]1CC=C(CNC(=O)c2cccc([N+](=O)[O-])c2Br)CC1 ZINC000277133241 550635689 /nfs/dbraw/zinc/63/56/89/550635689.db2.gz GQJRAGHOXMAPFY-UHFFFAOYSA-N 1 1 354.204 2.349 20 5 FEBDMO COc1cc(OCC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000277545360 550682678 /nfs/dbraw/zinc/68/26/78/550682678.db2.gz NRGYKSFZUFGQOR-CQSZACIVSA-N 1 1 363.414 2.115 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000495041877 561481528 /nfs/dbraw/zinc/48/15/28/561481528.db2.gz VDTWXQFNNGRTFL-CYBMUJFWSA-N 1 1 367.471 2.500 20 5 FEBDMO Nc1ccc(N2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000278515704 550794289 /nfs/dbraw/zinc/79/42/89/550794289.db2.gz YNJVGFXCFFMYFP-UHFFFAOYSA-N 1 1 368.319 2.312 20 5 FEBDMO CCc1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278530578 550796058 /nfs/dbraw/zinc/79/60/58/550796058.db2.gz RPTIDVFSCVEPSV-CQSZACIVSA-N 1 1 361.442 2.483 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278596084 550802369 /nfs/dbraw/zinc/80/23/69/550802369.db2.gz FHRZJUUXDFLMBS-ZDUSSCGKSA-N 1 1 374.445 2.344 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000278870995 550831154 /nfs/dbraw/zinc/83/11/54/550831154.db2.gz NPYWHYZOXQQPQI-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000278870995 550831156 /nfs/dbraw/zinc/83/11/56/550831156.db2.gz NPYWHYZOXQQPQI-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000279372764 550882727 /nfs/dbraw/zinc/88/27/27/550882727.db2.gz SSIXZUGLHVJLFJ-UHFFFAOYSA-N 1 1 372.425 2.326 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000279372764 550882728 /nfs/dbraw/zinc/88/27/28/550882728.db2.gz SSIXZUGLHVJLFJ-UHFFFAOYSA-N 1 1 372.425 2.326 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000279844697 550935223 /nfs/dbraw/zinc/93/52/23/550935223.db2.gz AULNHBGGTJOLLP-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280246438 550974222 /nfs/dbraw/zinc/97/42/22/550974222.db2.gz BGSMMIDVZRAQRN-RDTXWAMCSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280337153 550982428 /nfs/dbraw/zinc/98/24/28/550982428.db2.gz HNJCKNCIHNATEP-RDTXWAMCSA-N 1 1 363.414 2.112 20 5 FEBDMO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282450528 551230970 /nfs/dbraw/zinc/23/09/70/551230970.db2.gz NSFJTWHLWRRQGP-GFCCVEGCSA-N 1 1 369.368 2.057 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCOc2cccc([N+](=O)[O-])c2)O1 ZINC000282465686 551233337 /nfs/dbraw/zinc/23/33/37/551233337.db2.gz NIZSYUVDOHATOL-VZEFYGNVSA-N 1 1 364.398 2.157 20 5 FEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ncnn1C(C)(C)C ZINC000282702924 551261409 /nfs/dbraw/zinc/26/14/09/551261409.db2.gz KZEQESSLUWHNKH-LBPRGKRZSA-N 1 1 360.418 2.448 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000498078187 561515654 /nfs/dbraw/zinc/51/56/54/561515654.db2.gz PFPCUSGSIVEUBC-GFCCVEGCSA-N 1 1 358.398 2.310 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H]1c1ccccc1 ZINC000284375108 551535871 /nfs/dbraw/zinc/53/58/71/551535871.db2.gz LMMAGWPOSDGYRQ-DOTOQJQBSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284650639 551598639 /nfs/dbraw/zinc/59/86/39/551598639.db2.gz WTMHZEXPPBLHKE-ZIAGYGMSSA-N 1 1 356.220 2.267 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000284650635 551598746 /nfs/dbraw/zinc/59/87/46/551598746.db2.gz WTMHZEXPPBLHKE-KGLIPLIRSA-N 1 1 356.220 2.267 20 5 FEBDMO C[N@@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000284708993 551613616 /nfs/dbraw/zinc/61/36/16/551613616.db2.gz GVRLLDLNHOWIHE-OAHLLOKOSA-N 1 1 355.398 2.380 20 5 FEBDMO C[N@H+]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000284708993 551613618 /nfs/dbraw/zinc/61/36/18/551613618.db2.gz GVRLLDLNHOWIHE-OAHLLOKOSA-N 1 1 355.398 2.380 20 5 FEBDMO COc1ccc(CSCC(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000498573644 561529255 /nfs/dbraw/zinc/52/92/55/561529255.db2.gz AXCJJMQEESEWGF-UHFFFAOYSA-N 1 1 355.460 2.293 20 5 FEBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285888043 551823669 /nfs/dbraw/zinc/82/36/69/551823669.db2.gz JVSLXEFWAMOBBU-UXLLHSPISA-N 1 1 352.431 2.350 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000286049706 551843093 /nfs/dbraw/zinc/84/30/93/551843093.db2.gz ATECMBIVTLYUFJ-SWLSCSKDSA-N 1 1 360.414 2.230 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286189094 551859119 /nfs/dbraw/zinc/85/91/19/551859119.db2.gz XLCSSOKCFZOZPX-OCCSQVGLSA-N 1 1 353.394 2.038 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286189094 551859120 /nfs/dbraw/zinc/85/91/20/551859120.db2.gz XLCSSOKCFZOZPX-OCCSQVGLSA-N 1 1 353.394 2.038 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286729320 551919727 /nfs/dbraw/zinc/91/97/27/551919727.db2.gz FMFWFCGODQBGEH-NSHDSACASA-N 1 1 350.448 2.037 20 5 FEBDMO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]12 ZINC000499212028 561545831 /nfs/dbraw/zinc/54/58/31/561545831.db2.gz ONSHHIXPKVJERT-AWEZNQCLSA-N 1 1 372.406 2.059 20 5 FEBDMO O=C1NC(=O)N2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]12 ZINC000499212028 561545832 /nfs/dbraw/zinc/54/58/32/561545832.db2.gz ONSHHIXPKVJERT-AWEZNQCLSA-N 1 1 372.406 2.059 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000287752621 552042365 /nfs/dbraw/zinc/04/23/65/552042365.db2.gz TWFGQWZYWSIEOT-ZNMIVQPWSA-N 1 1 364.446 2.061 20 5 FEBDMO COCCOCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000288782380 552211687 /nfs/dbraw/zinc/21/16/87/552211687.db2.gz JITNQSNYLDYYPF-LLVKDONJSA-N 1 1 359.810 2.170 20 5 FEBDMO COCCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000288782380 552211689 /nfs/dbraw/zinc/21/16/89/552211689.db2.gz JITNQSNYLDYYPF-LLVKDONJSA-N 1 1 359.810 2.170 20 5 FEBDMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289205690 552282311 /nfs/dbraw/zinc/28/23/11/552282311.db2.gz BQCKFWCZWYHBNC-WBMJQRKESA-N 1 1 366.805 2.201 20 5 FEBDMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289205689 552282485 /nfs/dbraw/zinc/28/24/85/552282485.db2.gz BQCKFWCZWYHBNC-MLGOLLRUSA-N 1 1 366.805 2.201 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000289764229 552374925 /nfs/dbraw/zinc/37/49/25/552374925.db2.gz VRFROSLPDNIEKR-INIZCTEOSA-N 1 1 359.430 2.298 20 5 FEBDMO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000500808007 561583105 /nfs/dbraw/zinc/58/31/05/561583105.db2.gz LIIZSAYAVYERBK-GJZGRUSLSA-N 1 1 369.487 2.320 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000290000220 552412279 /nfs/dbraw/zinc/41/22/79/552412279.db2.gz WPQHOHFDPFMLAQ-NSHDSACASA-N 1 1 361.851 2.353 20 5 FEBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000290093322 552426059 /nfs/dbraw/zinc/42/60/59/552426059.db2.gz WBPCOFVXHFUKKN-OAHLLOKOSA-N 1 1 369.425 2.011 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000290150754 552435284 /nfs/dbraw/zinc/43/52/84/552435284.db2.gz VTFKVICBOUPXGU-CYBMUJFWSA-N 1 1 350.419 2.078 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808872 552541844 /nfs/dbraw/zinc/54/18/44/552541844.db2.gz QXUROIIBLIMMFF-CZUORRHYSA-N 1 1 369.425 2.411 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCCn1cc[nH+]c1C ZINC000290900000 552558366 /nfs/dbraw/zinc/55/83/66/552558366.db2.gz VOCSYRULFIYROH-UHFFFAOYSA-N 1 1 373.413 2.197 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000291428918 552623600 /nfs/dbraw/zinc/62/36/00/552623600.db2.gz LHEKNRJCLATKMA-MQUHGVABSA-N 1 1 359.426 2.320 20 5 FEBDMO O=C(NCCC[NH+]1CCOCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291499033 552630925 /nfs/dbraw/zinc/63/09/25/552630925.db2.gz UZEKECXCLZQXTP-UHFFFAOYSA-N 1 1 362.213 2.354 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)C1 ZINC000292153324 552698863 /nfs/dbraw/zinc/69/88/63/552698863.db2.gz ISINMOAQTUNOGI-LJQANCHMSA-N 1 1 358.442 2.363 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292171194 552701156 /nfs/dbraw/zinc/70/11/56/552701156.db2.gz PSAPJTMDYFXGQH-DOTOQJQBSA-N 1 1 350.415 2.083 20 5 FEBDMO CC(C)[C@]1(CO)CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962700 552775333 /nfs/dbraw/zinc/77/53/33/552775333.db2.gz FVIVYWVQZBEGBX-MAUKXSAKSA-N 1 1 352.431 2.065 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000293063149 552785327 /nfs/dbraw/zinc/78/53/27/552785327.db2.gz NQRTUCIFJBOSAX-GOSISDBHSA-N 1 1 365.430 2.272 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000293063149 552785329 /nfs/dbraw/zinc/78/53/29/552785329.db2.gz NQRTUCIFJBOSAX-GOSISDBHSA-N 1 1 365.430 2.272 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CO)CC1 ZINC000293250454 552803364 /nfs/dbraw/zinc/80/33/64/552803364.db2.gz TWOFHINWDTUBIY-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CO)CC1 ZINC000293250454 552803365 /nfs/dbraw/zinc/80/33/65/552803365.db2.gz TWOFHINWDTUBIY-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293334465 552812326 /nfs/dbraw/zinc/81/23/26/552812326.db2.gz MVKIMPYAZFNICR-GOEBONIOSA-N 1 1 357.410 2.457 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293334465 552812328 /nfs/dbraw/zinc/81/23/28/552812328.db2.gz MVKIMPYAZFNICR-GOEBONIOSA-N 1 1 357.410 2.457 20 5 FEBDMO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc([N+](=O)[O-])c1OC ZINC000294329824 552897514 /nfs/dbraw/zinc/89/75/14/552897514.db2.gz XKUJKNKLJBBYJZ-GOSISDBHSA-N 1 1 363.414 2.170 20 5 FEBDMO C[C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000294469540 552908829 /nfs/dbraw/zinc/90/88/29/552908829.db2.gz MAZFGTICEKZBBK-MRXNPFEDSA-N 1 1 362.474 2.149 20 5 FEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000295227543 552972262 /nfs/dbraw/zinc/97/22/62/552972262.db2.gz NKUBGPGYUIMNSN-HNNXBMFYSA-N 1 1 359.785 2.177 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000295399996 553000093 /nfs/dbraw/zinc/00/00/93/553000093.db2.gz SINZRPGPNWEJJZ-YOGCLGLASA-N 1 1 373.862 2.460 20 5 FEBDMO CC1CC[NH+](Cc2nc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)no2)CC1 ZINC000296433668 553159375 /nfs/dbraw/zinc/15/93/75/553159375.db2.gz MECJBTODNXURRM-UHFFFAOYSA-N 1 1 369.385 2.457 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000297949852 553361416 /nfs/dbraw/zinc/36/14/16/553361416.db2.gz AWKFNMYRMOYXEB-OAHLLOKOSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1c(C)c[nH+]c(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1C ZINC000298163914 553392547 /nfs/dbraw/zinc/39/25/47/553392547.db2.gz SSTGMWXREUMXTN-UHFFFAOYSA-N 1 1 357.414 2.332 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC1CCC1)[C@H](C)CO ZINC000298554624 553439776 /nfs/dbraw/zinc/43/97/76/553439776.db2.gz ONBSVRSJBZOQTL-CYBMUJFWSA-N 1 1 365.430 2.415 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299113339 553517215 /nfs/dbraw/zinc/51/72/15/553517215.db2.gz ZDRMXGGLAYCDLY-OLZOCXBDSA-N 1 1 363.414 2.216 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000299145436 553521403 /nfs/dbraw/zinc/52/14/03/553521403.db2.gz QHPSSZBPRCWPCG-KBPBESRZSA-N 1 1 372.429 2.026 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000299167230 553524490 /nfs/dbraw/zinc/52/44/90/553524490.db2.gz XXEDTKFBMOIYHO-HNNXBMFYSA-N 1 1 374.441 2.283 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000299405080 553558885 /nfs/dbraw/zinc/55/88/85/553558885.db2.gz XCNMWWFRSLUJKE-ZDUSSCGKSA-N 1 1 363.414 2.232 20 5 FEBDMO Nc1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)c[nH+]1 ZINC000301155831 553626299 /nfs/dbraw/zinc/62/62/99/553626299.db2.gz AFIUSDABDHAOKY-UHFFFAOYSA-N 1 1 350.382 2.447 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301288948 553639742 /nfs/dbraw/zinc/63/97/42/553639742.db2.gz MWEQLYWUDZYNNE-AWEZNQCLSA-N 1 1 371.441 2.337 20 5 FEBDMO Cc1cc(N2CCC(Nc3ccc4ncc([N+](=O)[O-])n4n3)CC2)nc(C)[nH+]1 ZINC000301971173 553695330 /nfs/dbraw/zinc/69/53/30/553695330.db2.gz SALWLRAPMAYSOP-UHFFFAOYSA-N 1 1 368.401 2.125 20 5 FEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@H+]1CC(C)(C)O ZINC000302504853 553719283 /nfs/dbraw/zinc/71/92/83/553719283.db2.gz QCLQWSMVEAZZBB-LLVKDONJSA-N 1 1 359.373 2.478 20 5 FEBDMO COC(=O)c1cnc(NCC[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000302782946 553732639 /nfs/dbraw/zinc/73/26/39/553732639.db2.gz TTXFTJZHULNAFM-UHFFFAOYSA-N 1 1 356.382 2.247 20 5 FEBDMO COCCCNC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505788245 561680886 /nfs/dbraw/zinc/68/08/86/561680886.db2.gz AALLKOMAUHDENY-UHFFFAOYSA-N 1 1 353.394 2.099 20 5 FEBDMO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000506108051 561690616 /nfs/dbraw/zinc/69/06/16/561690616.db2.gz IEPQIGASKZPJPN-UHFFFAOYSA-N 1 1 372.381 2.443 20 5 FEBDMO Cc1cc(NCC[N@@H+]2CCOC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507028833 561714699 /nfs/dbraw/zinc/71/46/99/561714699.db2.gz ALFJTZXSPSOSMV-UHFFFAOYSA-N 1 1 371.441 2.305 20 5 FEBDMO Cc1cc(NCC[N@H+]2CCOC(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507028833 561714701 /nfs/dbraw/zinc/71/47/01/561714701.db2.gz ALFJTZXSPSOSMV-UHFFFAOYSA-N 1 1 371.441 2.305 20 5 FEBDMO Cn1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507388695 561727699 /nfs/dbraw/zinc/72/76/99/561727699.db2.gz LKMVEYZVWRDQRO-HOCLYGCPSA-N 1 1 369.425 2.352 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000330435702 554121762 /nfs/dbraw/zinc/12/17/62/554121762.db2.gz MBENPWZAXNBBTQ-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330600848 554143915 /nfs/dbraw/zinc/14/39/15/554143915.db2.gz GAWUBKJXZYHCQV-NXEZZACHSA-N 1 1 373.356 2.369 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330600848 554143916 /nfs/dbraw/zinc/14/39/16/554143916.db2.gz GAWUBKJXZYHCQV-NXEZZACHSA-N 1 1 373.356 2.369 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)CCO1 ZINC000509055573 561783175 /nfs/dbraw/zinc/78/31/75/561783175.db2.gz HJXICQORAPSOJJ-CYBMUJFWSA-N 1 1 357.414 2.228 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2cccc([N+](=O)[O-])c2)C1 ZINC000509081986 561784251 /nfs/dbraw/zinc/78/42/51/561784251.db2.gz LBPKLDRQMJEVBC-HNNXBMFYSA-N 1 1 367.471 2.160 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H](C)C1 ZINC000331964744 554354225 /nfs/dbraw/zinc/35/42/25/554354225.db2.gz APVJPNFNXCTMGY-OKILXGFUSA-N 1 1 362.430 2.307 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000332056204 554371309 /nfs/dbraw/zinc/37/13/09/554371309.db2.gz OSYDOFVUMZKWRX-UONOGXRCSA-N 1 1 362.430 2.307 20 5 FEBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CCN(C)CC1 ZINC000332383325 554435728 /nfs/dbraw/zinc/43/57/28/554435728.db2.gz HTTKZOSWXNAUJT-CQSZACIVSA-N 1 1 350.438 2.334 20 5 FEBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C1CCN(C)CC1 ZINC000332383325 554435730 /nfs/dbraw/zinc/43/57/30/554435730.db2.gz HTTKZOSWXNAUJT-CQSZACIVSA-N 1 1 350.438 2.334 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508728 554458892 /nfs/dbraw/zinc/45/88/92/554458892.db2.gz HAPKHESIZUIDPI-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@@H]1C[C@@H](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000510190118 561827708 /nfs/dbraw/zinc/82/77/08/561827708.db2.gz DFHDGFDUGYSFLS-NVXWUHKLSA-N 1 1 371.441 2.208 20 5 FEBDMO COc1ccc(C[C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000360408739 554874298 /nfs/dbraw/zinc/87/42/98/554874298.db2.gz YTJHHENMADNXIP-AEFFLSMTSA-N 1 1 374.441 2.116 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](n2cccn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000363200589 555051957 /nfs/dbraw/zinc/05/19/57/555051957.db2.gz MRVCWEVLGDBCBD-MRXNPFEDSA-N 1 1 355.398 2.018 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](n2cccn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000363200589 555051959 /nfs/dbraw/zinc/05/19/59/555051959.db2.gz MRVCWEVLGDBCBD-MRXNPFEDSA-N 1 1 355.398 2.018 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257249 555065539 /nfs/dbraw/zinc/06/55/39/555065539.db2.gz VKYCAOMEBNFTOY-OLMNPRSZSA-N 1 1 358.442 2.340 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257249 555065541 /nfs/dbraw/zinc/06/55/41/555065541.db2.gz VKYCAOMEBNFTOY-OLMNPRSZSA-N 1 1 358.442 2.340 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000363285407 555071088 /nfs/dbraw/zinc/07/10/88/555071088.db2.gz JYLFYUHGUJOGEO-CHWSQXEVSA-N 1 1 354.457 2.004 20 5 FEBDMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)nn1 ZINC000363901238 555209972 /nfs/dbraw/zinc/20/99/72/555209972.db2.gz YVPOWFVLUWHBSY-TZMCWYRMSA-N 1 1 359.386 2.289 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364018958 555234879 /nfs/dbraw/zinc/23/48/79/555234879.db2.gz GZTLOCVPFCDGML-MSOLQXFVSA-N 1 1 374.441 2.399 20 5 FEBDMO CCOc1cccc(N2CCC[N@H+](CC(=O)NC(C)C)CC2)c1[N+](=O)[O-] ZINC000364030993 555236699 /nfs/dbraw/zinc/23/66/99/555236699.db2.gz OSFXGAXJUYIENJ-UHFFFAOYSA-N 1 1 364.446 2.030 20 5 FEBDMO CCOc1cccc(N2CCC[N@@H+](CC(=O)NC(C)C)CC2)c1[N+](=O)[O-] ZINC000364030993 555236701 /nfs/dbraw/zinc/23/67/01/555236701.db2.gz OSFXGAXJUYIENJ-UHFFFAOYSA-N 1 1 364.446 2.030 20 5 FEBDMO O=[N+]([O-])c1ccc(NC[C@]2([NH+]3CCOCC3)CCCOC2)c2ccncc21 ZINC000364439930 555314574 /nfs/dbraw/zinc/31/45/74/555314574.db2.gz YFCOSJOOWHQGTN-LJQANCHMSA-N 1 1 372.425 2.436 20 5 FEBDMO O=C1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000364467558 555318962 /nfs/dbraw/zinc/31/89/62/555318962.db2.gz WLQIYXHITLKTQB-HNNXBMFYSA-N 1 1 370.365 2.394 20 5 FEBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364593336 555347636 /nfs/dbraw/zinc/34/76/36/555347636.db2.gz YMXADXWWIKBGDV-HZPDHXFCSA-N 1 1 373.409 2.191 20 5 FEBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)[N@@H+]1C ZINC000513048507 561923619 /nfs/dbraw/zinc/92/36/19/561923619.db2.gz ZUCTXRUGSRLNGQ-BETUJISGSA-N 1 1 358.398 2.073 20 5 FEBDMO COc1cc(C[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c([N+](=O)[O-])cc1O ZINC000513068646 561924033 /nfs/dbraw/zinc/92/40/33/561924033.db2.gz KNAGASKBAKQOIQ-RUZDIDTESA-N 1 1 364.423 2.477 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(-n3ccnc3)c2)c([N+](=O)[O-])c1 ZINC000365829625 555677326 /nfs/dbraw/zinc/67/73/26/555677326.db2.gz XZAFNCPDPSXQLS-UHFFFAOYSA-N 1 1 354.326 2.374 20 5 FEBDMO C[C@@]1([C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000366388819 555830685 /nfs/dbraw/zinc/83/06/85/555830685.db2.gz LLKQFWASGNFVQD-ZBEGNZNMSA-N 1 1 366.805 2.058 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000514028383 561958387 /nfs/dbraw/zinc/95/83/87/561958387.db2.gz DLUOZTHJOYZYPP-CABCVRRESA-N 1 1 363.462 2.426 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCO[C@@H]3CCCCO3)C2)nc1 ZINC000514082743 561959876 /nfs/dbraw/zinc/95/98/76/561959876.db2.gz JJHKVFXSVKODIZ-WMLDXEAASA-N 1 1 350.419 2.409 20 5 FEBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000367390708 556036303 /nfs/dbraw/zinc/03/63/03/556036303.db2.gz SGZGZUKDIRVILI-CQSZACIVSA-N 1 1 357.414 2.065 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ncccc2C1 ZINC000367859769 556157627 /nfs/dbraw/zinc/15/76/27/556157627.db2.gz QNPFTRHSBLQSKR-UHFFFAOYSA-N 1 1 356.382 2.385 20 5 FEBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000368283353 556267339 /nfs/dbraw/zinc/26/73/39/556267339.db2.gz IUYSKDKKFGMBGJ-LBPRGKRZSA-N 1 1 358.402 2.197 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000515200017 562000370 /nfs/dbraw/zinc/00/03/70/562000370.db2.gz SUNMFLATUVBNDH-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000515200017 562000371 /nfs/dbraw/zinc/00/03/71/562000371.db2.gz SUNMFLATUVBNDH-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368660734 556377116 /nfs/dbraw/zinc/37/71/16/556377116.db2.gz CUKCJGGIFSSOGU-KRWDZBQOSA-N 1 1 361.446 2.227 20 5 FEBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368660734 556377119 /nfs/dbraw/zinc/37/71/19/556377119.db2.gz CUKCJGGIFSSOGU-KRWDZBQOSA-N 1 1 361.446 2.227 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000515737649 562020624 /nfs/dbraw/zinc/02/06/24/562020624.db2.gz ZUFZWABVJZRHAF-OLZOCXBDSA-N 1 1 355.460 2.302 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)c1 ZINC000369019197 556478028 /nfs/dbraw/zinc/47/80/28/556478028.db2.gz WWDIHFKPNJTZMM-HNNXBMFYSA-N 1 1 353.386 2.209 20 5 FEBDMO C[N@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@H]1c1cccs1 ZINC000369560302 556631637 /nfs/dbraw/zinc/63/16/37/556631637.db2.gz GBIQADBWCOEUKB-YGRLFVJLSA-N 1 1 361.427 2.255 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000516354953 562040750 /nfs/dbraw/zinc/04/07/50/562040750.db2.gz CONQRLNZDGTYDX-WFASDCNBSA-N 1 1 351.451 2.129 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000516610730 562050346 /nfs/dbraw/zinc/05/03/46/562050346.db2.gz SKXNJPCYIRXSMO-CYBMUJFWSA-N 1 1 372.491 2.377 20 5 FEBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C1([NH+]2CCOCC2)CCCC1 ZINC000370284958 556829799 /nfs/dbraw/zinc/82/97/99/556829799.db2.gz IHFWVXHNWHAFGH-UHFFFAOYSA-N 1 1 361.442 2.241 20 5 FEBDMO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000370927377 557019007 /nfs/dbraw/zinc/01/90/07/557019007.db2.gz IASNJQHMQRMEPH-RDTXWAMCSA-N 1 1 371.441 2.450 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000371610626 557238786 /nfs/dbraw/zinc/23/87/86/557238786.db2.gz DZKDMAVKKBRYDV-HNNXBMFYSA-N 1 1 369.425 2.214 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCN(c3ncccn3)CC2)cc1 ZINC000371640674 557247688 /nfs/dbraw/zinc/24/76/88/557247688.db2.gz WNBHTGBMROJJAW-UHFFFAOYSA-N 1 1 357.414 2.366 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc2c1OCO2 ZINC000372274677 557427537 /nfs/dbraw/zinc/42/75/37/557427537.db2.gz RQZRMQNHNIFSPJ-CYBMUJFWSA-N 1 1 360.370 2.366 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc2c1OCO2 ZINC000372274677 557427539 /nfs/dbraw/zinc/42/75/39/557427539.db2.gz RQZRMQNHNIFSPJ-CYBMUJFWSA-N 1 1 360.370 2.366 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000372330123 557442080 /nfs/dbraw/zinc/44/20/80/557442080.db2.gz JSNUYUSIXRZDPV-AWEZNQCLSA-N 1 1 361.358 2.415 20 5 FEBDMO C[N@@H+](C[C@@H]1CC12CCN(c1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000372424592 557467446 /nfs/dbraw/zinc/46/74/46/557467446.db2.gz GEBZYQPGPXBZBN-AWEZNQCLSA-N 1 1 358.442 2.394 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000372819916 557568976 /nfs/dbraw/zinc/56/89/76/557568976.db2.gz GCZWROAJRPYZNZ-STQMWFEESA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000372819916 557568979 /nfs/dbraw/zinc/56/89/79/557568979.db2.gz GCZWROAJRPYZNZ-STQMWFEESA-N 1 1 365.455 2.300 20 5 FEBDMO C[C@@H]1[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000372975387 557601216 /nfs/dbraw/zinc/60/12/16/557601216.db2.gz MNDJMADTSWCNLE-HOCLYGCPSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@H]1[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000372975390 557601223 /nfs/dbraw/zinc/60/12/23/557601223.db2.gz MNDJMADTSWCNLE-ZBFHGGJFSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000519892264 562147523 /nfs/dbraw/zinc/14/75/23/562147523.db2.gz VFMXIICNDMMRBH-CHWSQXEVSA-N 1 1 373.450 2.380 20 5 FEBDMO CO[C@@H](C)c1nc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000520398090 562155361 /nfs/dbraw/zinc/15/53/61/562155361.db2.gz QPLUTETXLZVDKX-WCQYABFASA-N 1 1 367.427 2.288 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000373929125 557789142 /nfs/dbraw/zinc/78/91/42/557789142.db2.gz LPRXCZYLDDCZSM-KGLIPLIRSA-N 1 1 355.398 2.137 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)CC1 ZINC000374222934 557846219 /nfs/dbraw/zinc/84/62/19/557846219.db2.gz JTZUPHDXZUDTII-UHFFFAOYSA-N 1 1 363.414 2.329 20 5 FEBDMO CCc1n[nH]c(C(=O)N2CC[NH2+][C@H](c3ccc(CC)cc3)C2)c1[N+](=O)[O-] ZINC000374361214 557871751 /nfs/dbraw/zinc/87/17/51/557871751.db2.gz VYVGNRCBUYINJD-HNNXBMFYSA-N 1 1 357.414 2.229 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374697138 557918097 /nfs/dbraw/zinc/91/80/97/557918097.db2.gz FINWOXIJMGUEIC-OLZOCXBDSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374697138 557918099 /nfs/dbraw/zinc/91/80/99/557918099.db2.gz FINWOXIJMGUEIC-OLZOCXBDSA-N 1 1 351.403 2.431 20 5 FEBDMO Nc1nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000374758593 557926776 /nfs/dbraw/zinc/92/67/76/557926776.db2.gz HFLKXQOQGIEMIC-CABCVRRESA-N 1 1 354.414 2.210 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H](c2ccccc2)C1 ZINC000374767219 557928130 /nfs/dbraw/zinc/92/81/30/557928130.db2.gz NQCFJORONNKHND-BBRMVZONSA-N 1 1 358.373 2.144 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000374857002 557941716 /nfs/dbraw/zinc/94/17/16/557941716.db2.gz RCESZYQWOTWNCP-YPMHNXCESA-N 1 1 373.862 2.271 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000375010347 557963850 /nfs/dbraw/zinc/96/38/50/557963850.db2.gz APZYLWIHIHNSGP-SOLBZPMBSA-N 1 1 364.442 2.473 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375035238 557967801 /nfs/dbraw/zinc/96/78/01/557967801.db2.gz BXPFKNRFCHMNCB-XHDPSFHLSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)cc([N+](=O)[O-])c1F ZINC000375103948 557978635 /nfs/dbraw/zinc/97/86/35/557978635.db2.gz FTCSHUILHHTBNH-UHFFFAOYSA-N 1 1 368.390 2.054 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375291629 558005204 /nfs/dbraw/zinc/00/52/04/558005204.db2.gz IJGWPCROIWUGOS-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000521620320 562180520 /nfs/dbraw/zinc/18/05/20/562180520.db2.gz FYMBKNGRZMCUTL-YXJHDRRASA-N 1 1 350.415 2.226 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000376111473 558128203 /nfs/dbraw/zinc/12/82/03/558128203.db2.gz IGHYSMKTATZHTJ-RZFZLAGVSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000376111473 558128204 /nfs/dbraw/zinc/12/82/04/558128204.db2.gz IGHYSMKTATZHTJ-RZFZLAGVSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000376475247 558178223 /nfs/dbraw/zinc/17/82/23/558178223.db2.gz RCWFKVSDLJHSIP-UHFFFAOYSA-N 1 1 370.456 2.406 20 5 FEBDMO CCCc1n[nH]c(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000521904559 562186145 /nfs/dbraw/zinc/18/61/45/562186145.db2.gz VTCUPTVOKRFACT-BETUJISGSA-N 1 1 351.451 2.368 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000521943325 562187080 /nfs/dbraw/zinc/18/70/80/562187080.db2.gz VTQRPBFKDRQOSS-CQSZACIVSA-N 1 1 357.476 2.177 20 5 FEBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000377119640 558270266 /nfs/dbraw/zinc/27/02/66/558270266.db2.gz KPNBSEOQPWFNOQ-COXVUDFISA-N 1 1 363.414 2.192 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000377216344 558290926 /nfs/dbraw/zinc/29/09/26/558290926.db2.gz TVPKZDVQNAFXPR-GJZGRUSLSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000377216344 558290929 /nfs/dbraw/zinc/29/09/29/558290929.db2.gz TVPKZDVQNAFXPR-GJZGRUSLSA-N 1 1 352.387 2.146 20 5 FEBDMO CCc1nc(CN2C[C@@H]3C[N@@H+](Cc4csc([N+](=O)[O-])c4)C[C@@H]3C2)no1 ZINC000377439836 558341076 /nfs/dbraw/zinc/34/10/76/558341076.db2.gz PCAOQTFDNGAFQB-BETUJISGSA-N 1 1 363.443 2.166 20 5 FEBDMO CCc1nc(CN2C[C@@H]3C[N@H+](Cc4csc([N+](=O)[O-])c4)C[C@@H]3C2)no1 ZINC000377439836 558341078 /nfs/dbraw/zinc/34/10/78/558341078.db2.gz PCAOQTFDNGAFQB-BETUJISGSA-N 1 1 363.443 2.166 20 5 FEBDMO Cc1cnn([C@H]2CC[N@@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000377764455 558414873 /nfs/dbraw/zinc/41/48/73/558414873.db2.gz ROKPYOBNOYNHCZ-DLBZAZTESA-N 1 1 355.398 2.152 20 5 FEBDMO Cc1cnn([C@H]2CC[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000377764455 558414878 /nfs/dbraw/zinc/41/48/78/558414878.db2.gz ROKPYOBNOYNHCZ-DLBZAZTESA-N 1 1 355.398 2.152 20 5 FEBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000377841405 558432964 /nfs/dbraw/zinc/43/29/64/558432964.db2.gz AREMPJDNTHOCJG-LLVKDONJSA-N 1 1 356.810 2.169 20 5 FEBDMO Cn1cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000378102208 558481661 /nfs/dbraw/zinc/48/16/61/558481661.db2.gz KADNTNKMFYLFNL-HNNXBMFYSA-N 1 1 352.398 2.366 20 5 FEBDMO Cc1nn(CCC(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303266 558524473 /nfs/dbraw/zinc/52/44/73/558524473.db2.gz CIPSJWACQMXROL-SJORKVTESA-N 1 1 371.441 2.012 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000408375863 558672160 /nfs/dbraw/zinc/67/21/60/558672160.db2.gz UNEKYKMVGXLKKE-KBPBESRZSA-N 1 1 353.444 2.008 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCCNc2cccc(C)[nH+]2)cc([N+](=O)[O-])c1 ZINC000525172720 562241821 /nfs/dbraw/zinc/24/18/21/562241821.db2.gz ZCAQMKZHVZZYSL-UHFFFAOYSA-N 1 1 372.381 2.317 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000411211568 558853969 /nfs/dbraw/zinc/85/39/69/558853969.db2.gz IGTFEKAMGUVCQT-CQSZACIVSA-N 1 1 374.441 2.283 20 5 FEBDMO O=C(CC[N@H+](CCO)[C@H]1CCCSC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411660191 558938155 /nfs/dbraw/zinc/93/81/55/558938155.db2.gz ALUCBGGELATIKY-HNNXBMFYSA-N 1 1 353.444 2.113 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1F ZINC000412190403 559019208 /nfs/dbraw/zinc/01/92/08/559019208.db2.gz ZUEMHSXHYJUJNC-CYBMUJFWSA-N 1 1 367.421 2.379 20 5 FEBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+]1CC(C)(C)O ZINC000413245264 559091485 /nfs/dbraw/zinc/09/14/85/559091485.db2.gz JGOHVMXGKCHWPB-SNVBAGLBSA-N 1 1 362.352 2.290 20 5 FEBDMO C[C@@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+]1Cc1ccccc1 ZINC000413535281 559114886 /nfs/dbraw/zinc/11/48/86/559114886.db2.gz SVGLDELSZURWRH-CQSZACIVSA-N 1 1 352.398 2.348 20 5 FEBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000413990490 559145429 /nfs/dbraw/zinc/14/54/29/559145429.db2.gz OWXQWLWZLUDQBH-NVXWUHKLSA-N 1 1 372.425 2.190 20 5 FEBDMO Cc1cc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c(C)cc1[N+](=O)[O-] ZINC000416505514 559318502 /nfs/dbraw/zinc/31/85/02/559318502.db2.gz DJNAVGYHUWDSSZ-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419398630 559440757 /nfs/dbraw/zinc/44/07/57/559440757.db2.gz IENVSYOLERUODT-MRXNPFEDSA-N 1 1 370.409 2.441 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420450839 559488047 /nfs/dbraw/zinc/48/80/47/559488047.db2.gz PXMXAYUKBMOUCF-VIFPVBQESA-N 1 1 368.242 2.322 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421403832 559541283 /nfs/dbraw/zinc/54/12/83/559541283.db2.gz YBIQKCJNAVIWKR-CQSZACIVSA-N 1 1 366.414 2.131 20 5 FEBDMO [NH3+]C1(CNC(=O)c2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)CC1 ZINC000424036321 559652105 /nfs/dbraw/zinc/65/21/05/559652105.db2.gz GZEKELSSFALEHV-UHFFFAOYSA-N 1 1 368.437 2.318 20 5 FEBDMO [NH3+]C[C@@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303967 559660987 /nfs/dbraw/zinc/66/09/87/559660987.db2.gz QCLKQBQGZGVCGG-GOEBONIOSA-N 1 1 359.405 2.358 20 5 FEBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cn3ccc([N+](=O)[O-])n3)sc2C1 ZINC000425087422 559686770 /nfs/dbraw/zinc/68/67/70/559686770.db2.gz UVXFLZSNUWRXGK-UHFFFAOYSA-N 1 1 364.431 2.043 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000425555261 559709597 /nfs/dbraw/zinc/70/95/97/559709597.db2.gz QEGKSDKLMWZAJC-KRWDZBQOSA-N 1 1 359.426 2.475 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCS[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000426371886 559733569 /nfs/dbraw/zinc/73/35/69/559733569.db2.gz NATJJTHGRGXKFQ-LBPRGKRZSA-N 1 1 354.428 2.474 20 5 FEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988666 559787598 /nfs/dbraw/zinc/78/75/98/559787598.db2.gz AKLUWSOZYNPPCB-CLCXKQKWSA-N 1 1 372.469 2.146 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000430210748 559815389 /nfs/dbraw/zinc/81/53/89/559815389.db2.gz FGCQZPGRTVOAIL-LLVKDONJSA-N 1 1 361.320 2.104 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434752967 559908466 /nfs/dbraw/zinc/90/84/66/559908466.db2.gz ANMXOQZXSOICDQ-KRWDZBQOSA-N 1 1 367.471 2.074 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434768851 559908957 /nfs/dbraw/zinc/90/89/57/559908957.db2.gz UFFARMLVNKOYLQ-MRXNPFEDSA-N 1 1 367.471 2.452 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434768851 559908958 /nfs/dbraw/zinc/90/89/58/559908958.db2.gz UFFARMLVNKOYLQ-MRXNPFEDSA-N 1 1 367.471 2.452 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000436319263 559939905 /nfs/dbraw/zinc/93/99/05/559939905.db2.gz DHVQTIRFWBYBRK-KGLIPLIRSA-N 1 1 364.446 2.142 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000440076338 560004326 /nfs/dbraw/zinc/00/43/26/560004326.db2.gz JEWPKWUPDOUEJZ-GXTWGEPZSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000440480004 560011966 /nfs/dbraw/zinc/01/19/66/560011966.db2.gz UISMXYZCTUFURL-IBGZPJMESA-N 1 1 371.393 2.102 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC000443722250 560091197 /nfs/dbraw/zinc/09/11/97/560091197.db2.gz UZVDHSWZDFMYHV-CQSZACIVSA-N 1 1 355.460 2.302 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000444893579 560124150 /nfs/dbraw/zinc/12/41/50/560124150.db2.gz GOMMUCCCKMZHOM-HNNXBMFYSA-N 1 1 366.418 2.082 20 5 FEBDMO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000448959268 560208783 /nfs/dbraw/zinc/20/87/83/560208783.db2.gz DTTZHYQRJDINIZ-HNNXBMFYSA-N 1 1 355.398 2.089 20 5 FEBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449492293 560231803 /nfs/dbraw/zinc/23/18/03/560231803.db2.gz BRCFATAJAAWSPI-XJKSGUPXSA-N 1 1 366.414 2.394 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449576429 560233978 /nfs/dbraw/zinc/23/39/78/560233978.db2.gz SXVOAEUEZJGWTK-ZUZCIYMTSA-N 1 1 359.785 2.176 20 5 FEBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000449744389 560238800 /nfs/dbraw/zinc/23/88/00/560238800.db2.gz GSQHDAQVROUUHX-UHFFFAOYSA-N 1 1 350.463 2.109 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152967 560252378 /nfs/dbraw/zinc/25/23/78/560252378.db2.gz RQZRSXDDZZLIAF-DIFFPNOSSA-N 1 1 355.398 2.197 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450294556 560257388 /nfs/dbraw/zinc/25/73/88/560257388.db2.gz OYJPYFIHVSNECB-GASCZTMLSA-N 1 1 372.473 2.466 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000450316000 560258330 /nfs/dbraw/zinc/25/83/30/560258330.db2.gz YCTQAGSDVTXIQV-CHWSQXEVSA-N 1 1 360.414 2.095 20 5 FEBDMO CCN1CC[NH+]([C@H]2CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000450317376 560258387 /nfs/dbraw/zinc/25/83/87/560258387.db2.gz KFUXGYLGYJQRPK-HNNXBMFYSA-N 1 1 355.442 2.359 20 5 FEBDMO CC(C)NC(=O)c1ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450792095 560273512 /nfs/dbraw/zinc/27/35/12/560273512.db2.gz NKJLXPSSDKYIOI-GASCZTMLSA-N 1 1 362.430 2.008 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000450925538 560278829 /nfs/dbraw/zinc/27/88/29/560278829.db2.gz YPSGNCLABHXKLX-UHFFFAOYSA-N 1 1 352.464 2.132 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000451223394 560294073 /nfs/dbraw/zinc/29/40/73/560294073.db2.gz SFTAFDLUMDHJEV-DZGCQCFKSA-N 1 1 355.394 2.384 20 5 FEBDMO CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548035 560313856 /nfs/dbraw/zinc/31/38/56/560313856.db2.gz MBEZKCYMTPXPKW-CQSZACIVSA-N 1 1 360.414 2.105 20 5 FEBDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549628 560314113 /nfs/dbraw/zinc/31/41/13/560314113.db2.gz PTJLHMAHDHFRHT-QILLFSRXSA-N 1 1 352.431 2.187 20 5 FEBDMO Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)C2=O)cn1 ZINC000451550871 560314209 /nfs/dbraw/zinc/31/42/09/560314209.db2.gz SSBCCCVGTATMGH-YJBOKZPZSA-N 1 1 369.425 2.313 20 5 FEBDMO Cn1cc(N2CC[C@H]([N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)C2=O)cn1 ZINC000451550871 560314210 /nfs/dbraw/zinc/31/42/10/560314210.db2.gz SSBCCCVGTATMGH-YJBOKZPZSA-N 1 1 369.425 2.313 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451785619 560328366 /nfs/dbraw/zinc/32/83/66/560328366.db2.gz GKWQVIATZMJFJG-KGLIPLIRSA-N 1 1 360.370 2.466 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+](C2CC2)C1 ZINC000452172350 560354458 /nfs/dbraw/zinc/35/44/58/560354458.db2.gz WGDLMWIXPRXFOQ-CQSZACIVSA-N 1 1 369.425 2.337 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452358052 560360039 /nfs/dbraw/zinc/36/00/39/560360039.db2.gz FSVCDOYLNSZMRH-FUHWJXTLSA-N 1 1 363.458 2.127 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452386275 560362471 /nfs/dbraw/zinc/36/24/71/560362471.db2.gz WQCKOJGTWWMTSS-DLBZAZTESA-N 1 1 363.458 2.127 20 5 FEBDMO Cc1cnc(CC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000453387800 560386043 /nfs/dbraw/zinc/38/60/43/560386043.db2.gz BFWMIQZENHEEEF-QGZVFWFLSA-N 1 1 352.398 2.348 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000453952311 560416087 /nfs/dbraw/zinc/41/60/87/560416087.db2.gz AZKMZSFPSCDBET-CQSZACIVSA-N 1 1 362.430 2.038 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC000453952311 560416088 /nfs/dbraw/zinc/41/60/88/560416088.db2.gz AZKMZSFPSCDBET-CQSZACIVSA-N 1 1 362.430 2.038 20 5 FEBDMO CNc1nc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000454297954 560438511 /nfs/dbraw/zinc/43/85/11/560438511.db2.gz OUNKMAHCRBMRJF-AWEZNQCLSA-N 1 1 359.386 2.191 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000455251766 560475685 /nfs/dbraw/zinc/47/56/85/560475685.db2.gz TWHAVAJDLOYXNT-AWEZNQCLSA-N 1 1 350.419 2.180 20 5 FEBDMO CNc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456055699 560505636 /nfs/dbraw/zinc/50/56/36/560505636.db2.gz TVXGZIKUWWYWMO-UKRRQHHQSA-N 1 1 369.425 2.424 20 5 FEBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000456170964 560509532 /nfs/dbraw/zinc/50/95/32/560509532.db2.gz CCJYNHCOXWTROY-INIZCTEOSA-N 1 1 350.419 2.463 20 5 FEBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000456170964 560509533 /nfs/dbraw/zinc/50/95/33/560509533.db2.gz CCJYNHCOXWTROY-INIZCTEOSA-N 1 1 350.419 2.463 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000457112391 560550042 /nfs/dbraw/zinc/55/00/42/560550042.db2.gz JIIUHUVSFMBDBU-KRWDZBQOSA-N 1 1 357.414 2.335 20 5 FEBDMO C[N@@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CC1 ZINC000457172300 560554392 /nfs/dbraw/zinc/55/43/92/560554392.db2.gz UKKJUOBWHHOEJE-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000458171897 560606736 /nfs/dbraw/zinc/60/67/36/560606736.db2.gz BCYNGVONUJDIEA-CQSZACIVSA-N 1 1 372.425 2.370 20 5 FEBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000464424816 560841513 /nfs/dbraw/zinc/84/15/13/560841513.db2.gz ICZNNPTVCZFYPN-UHFFFAOYSA-N 1 1 366.443 2.153 20 5 FEBDMO COC(=O)C[C@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000464598807 560846410 /nfs/dbraw/zinc/84/64/10/560846410.db2.gz OCNFJOYRECLOHA-QGZVFWFLSA-N 1 1 361.354 2.062 20 5 FEBDMO O=C(Cn1cc([N+](=O)[O-])c(C2CC2)n1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000468113357 560922566 /nfs/dbraw/zinc/92/25/66/560922566.db2.gz LVRKSKQZSTYQIP-UHFFFAOYSA-N 1 1 369.425 2.013 20 5 FEBDMO Cn1c(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000469871292 560967568 /nfs/dbraw/zinc/96/75/68/560967568.db2.gz MIZJJOXBFMNTHV-OAHLLOKOSA-N 1 1 374.466 2.281 20 5 FEBDMO Cn1c(C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000469871292 560967569 /nfs/dbraw/zinc/96/75/69/560967569.db2.gz MIZJJOXBFMNTHV-OAHLLOKOSA-N 1 1 374.466 2.281 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000470176335 560976228 /nfs/dbraw/zinc/97/62/28/560976228.db2.gz WBRMAUXOYZIZJC-IHWMJMDHSA-N 1 1 367.471 2.259 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000475580455 561100307 /nfs/dbraw/zinc/10/03/07/561100307.db2.gz FJGBKHVHXJYIOH-AWEZNQCLSA-N 1 1 364.398 2.148 20 5 FEBDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475707773 561102785 /nfs/dbraw/zinc/10/27/85/561102785.db2.gz UUIFWQRLDOFJHK-HNNXBMFYSA-N 1 1 366.414 2.395 20 5 FEBDMO C[C@@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])nn2C)C[N@H+]1Cc1ccccc1 ZINC000476648849 561125227 /nfs/dbraw/zinc/12/52/27/561125227.db2.gz OMWMJGNOEXYKNK-ZBFHGGJFSA-N 1 1 371.441 2.359 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000476657812 561125432 /nfs/dbraw/zinc/12/54/32/561125432.db2.gz MHQMJEBSPNXNCD-HIFRSBDPSA-N 1 1 357.414 2.111 20 5 FEBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000477025080 561134545 /nfs/dbraw/zinc/13/45/45/561134545.db2.gz MCIOGUXSFJKMCN-INIZCTEOSA-N 1 1 371.441 2.313 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C2(CCCCC2)C1 ZINC000530714753 562421598 /nfs/dbraw/zinc/42/15/98/562421598.db2.gz JPHFJLHJPGZZLJ-UHFFFAOYSA-N 1 1 361.398 2.414 20 5 FEBDMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000531664757 562453571 /nfs/dbraw/zinc/45/35/71/562453571.db2.gz HQIQXWRQCBFMBL-GOEBONIOSA-N 1 1 372.425 2.449 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534494363 562535137 /nfs/dbraw/zinc/53/51/37/562535137.db2.gz BZCFALKRHAASLS-QGZVFWFLSA-N 1 1 371.441 2.305 20 5 FEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000535045394 562549432 /nfs/dbraw/zinc/54/94/32/562549432.db2.gz CELQHIIHAOTNRX-CYBMUJFWSA-N 1 1 371.397 2.116 20 5 FEBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000535245831 562553802 /nfs/dbraw/zinc/55/38/02/562553802.db2.gz GYXXJQVXSZRZRH-AWEZNQCLSA-N 1 1 372.377 2.122 20 5 FEBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000535245831 562553803 /nfs/dbraw/zinc/55/38/03/562553803.db2.gz GYXXJQVXSZRZRH-AWEZNQCLSA-N 1 1 372.377 2.122 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000536805929 562580765 /nfs/dbraw/zinc/58/07/65/562580765.db2.gz JSGCOTIIXMWFHM-MRXNPFEDSA-N 1 1 371.441 2.141 20 5 FEBDMO CNc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901370 562596229 /nfs/dbraw/zinc/59/62/29/562596229.db2.gz ZSJGADFPRNSOHX-RDJZCZTQSA-N 1 1 354.410 2.464 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602872246 568009345 /nfs/dbraw/zinc/00/93/45/568009345.db2.gz BCDLFBWXDDLFPC-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000602785891 568040080 /nfs/dbraw/zinc/04/00/80/568040080.db2.gz WRNZSQFPEZSZLX-QGZVFWFLSA-N 1 1 371.441 2.384 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000807394383 674414434 /nfs/dbraw/zinc/41/44/34/674414434.db2.gz LKTGSUAPWUEUIQ-LBPRGKRZSA-N 1 1 368.821 2.177 20 5 FEBDMO CC(C)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000557048995 674434073 /nfs/dbraw/zinc/43/40/73/674434073.db2.gz UVLLKOHYFMLHCG-CQSZACIVSA-N 1 1 355.460 2.336 20 5 FEBDMO C[NH+](C)Cc1cnc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000809581041 674499258 /nfs/dbraw/zinc/49/92/58/674499258.db2.gz SYRCGJNMCOXASS-GFCCVEGCSA-N 1 1 362.459 2.194 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000810441081 674544996 /nfs/dbraw/zinc/54/49/96/674544996.db2.gz CFMJHCZDRVSDHQ-JTQLQIEISA-N 1 1 356.810 2.032 20 5 FEBDMO C[N@H+]1CCC[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029196 608379053 /nfs/dbraw/zinc/37/90/53/608379053.db2.gz QIOVXQQRXWSIFL-LLVKDONJSA-N 1 1 368.401 2.077 20 5 FEBDMO COc1cc(OCC(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000810846731 674564882 /nfs/dbraw/zinc/56/48/82/674564882.db2.gz IKIODMTWVOHYAI-OCCSQVGLSA-N 1 1 350.371 2.152 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000811716502 674622831 /nfs/dbraw/zinc/62/28/31/674622831.db2.gz SMCZIPOOENWCJU-UHFFFAOYSA-N 1 1 352.460 2.166 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430994 674744518 /nfs/dbraw/zinc/74/45/18/674744518.db2.gz YXHKXLRBUOMMDD-GHMZBOCLSA-N 1 1 374.224 2.495 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000563753582 674935912 /nfs/dbraw/zinc/93/59/12/674935912.db2.gz KUPMZKUFNAKIHV-CJNGLKHVSA-N 1 1 355.460 2.229 20 5 FEBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525283 675008990 /nfs/dbraw/zinc/00/89/90/675008990.db2.gz RWDCRMAMQXFNTM-AEKWLRTRSA-N 1 1 363.483 2.315 20 5 FEBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cccs1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525283 675008992 /nfs/dbraw/zinc/00/89/92/675008992.db2.gz RWDCRMAMQXFNTM-AEKWLRTRSA-N 1 1 363.483 2.315 20 5 FEBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccs1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525283 675008994 /nfs/dbraw/zinc/00/89/94/675008994.db2.gz RWDCRMAMQXFNTM-AEKWLRTRSA-N 1 1 363.483 2.315 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1OC ZINC000564590060 675041848 /nfs/dbraw/zinc/04/18/48/675041848.db2.gz HEFUULGBUMJKEL-LBPRGKRZSA-N 1 1 353.419 2.461 20 5 FEBDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857742 675069159 /nfs/dbraw/zinc/06/91/59/675069159.db2.gz XXLPJTLFAFBHBM-BZUAXINKSA-N 1 1 351.447 2.187 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000565683208 675142688 /nfs/dbraw/zinc/14/26/88/675142688.db2.gz JZOXRWIOPDJQCF-GFCCVEGCSA-N 1 1 359.448 2.002 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000565830429 675154393 /nfs/dbraw/zinc/15/43/93/675154393.db2.gz DXTWPRVINOTSPD-ZDUSSCGKSA-N 1 1 355.460 2.120 20 5 FEBDMO C[C@H](CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000572476971 671006957 /nfs/dbraw/zinc/00/69/57/671006957.db2.gz WEFUCEFREMLFIW-OAHLLOKOSA-N 1 1 369.487 2.223 20 5 FEBDMO Cc1nn(CCC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000608812495 675904574 /nfs/dbraw/zinc/90/45/74/675904574.db2.gz QRQZGBUUFPCCMD-STQMWFEESA-N 1 1 351.451 2.035 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000576819514 671397040 /nfs/dbraw/zinc/39/70/40/671397040.db2.gz JTASHCMNLBZIDB-OCCSQVGLSA-N 1 1 355.460 2.260 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000609269722 675916135 /nfs/dbraw/zinc/91/61/35/675916135.db2.gz WDQHVSPFIDGZSN-ZDUSSCGKSA-N 1 1 353.444 2.157 20 5 FEBDMO COc1ccc(S(=O)(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000609352624 675919941 /nfs/dbraw/zinc/91/99/41/675919941.db2.gz AZBRTIZCHNCIHY-BETUJISGSA-N 1 1 371.459 2.145 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000609673380 675931873 /nfs/dbraw/zinc/93/18/73/675931873.db2.gz DFXYPQLVFALPNY-KGLIPLIRSA-N 1 1 355.460 2.444 20 5 FEBDMO CC(C)(C)C[N@@H+](CCO)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000609767216 675935698 /nfs/dbraw/zinc/93/56/98/675935698.db2.gz KVMXBVAVEGHTIQ-UHFFFAOYSA-N 1 1 351.403 2.233 20 5 FEBDMO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842283 671887942 /nfs/dbraw/zinc/88/79/42/671887942.db2.gz IQMDPNWTBLAFDA-LBPRGKRZSA-N 1 1 354.838 2.460 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000119327054 671896873 /nfs/dbraw/zinc/89/68/73/671896873.db2.gz CHZRFLKMKMCHGT-ZDUSSCGKSA-N 1 1 355.441 2.238 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[NH+]1CCSCC1 ZINC000610130640 675955523 /nfs/dbraw/zinc/95/55/23/675955523.db2.gz BEPQOJHYUKOUPA-UHFFFAOYSA-N 1 1 357.407 2.371 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610135192 675956261 /nfs/dbraw/zinc/95/62/61/675956261.db2.gz MEDREMDZTAJSRN-RYUDHWBXSA-N 1 1 359.423 2.227 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000154022820 672208856 /nfs/dbraw/zinc/20/88/56/672208856.db2.gz FHWLKKJVAXJYHK-OKILXGFUSA-N 1 1 350.419 2.476 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000585754954 672230547 /nfs/dbraw/zinc/23/05/47/672230547.db2.gz XQRLZWUBWUSWCD-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000585754954 672230549 /nfs/dbraw/zinc/23/05/49/672230549.db2.gz XQRLZWUBWUSWCD-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO O=[N+]([O-])c1cnccc1NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000610808824 675998293 /nfs/dbraw/zinc/99/82/93/675998293.db2.gz PAVINXLSDMEYFU-UHFFFAOYSA-N 1 1 361.833 2.299 20 5 FEBDMO CC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000611087342 676016151 /nfs/dbraw/zinc/01/61/51/676016151.db2.gz BGWQAVNJKQGVRE-LLVKDONJSA-N 1 1 370.247 2.452 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000589307546 672520830 /nfs/dbraw/zinc/52/08/30/672520830.db2.gz OVPGIXCZEOFAOB-LBPRGKRZSA-N 1 1 359.448 2.002 20 5 FEBDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589497378 672529418 /nfs/dbraw/zinc/52/94/18/672529418.db2.gz QTQHLKULFJTLFW-CQSZACIVSA-N 1 1 350.371 2.299 20 5 FEBDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589497378 672529420 /nfs/dbraw/zinc/52/94/20/672529420.db2.gz QTQHLKULFJTLFW-CQSZACIVSA-N 1 1 350.371 2.299 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000590165326 672562490 /nfs/dbraw/zinc/56/24/90/672562490.db2.gz GHGYHSJFVQEHSV-KRWDZBQOSA-N 1 1 367.471 2.318 20 5 FEBDMO C[N@H+](CCO)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1Cl ZINC000590538299 672587651 /nfs/dbraw/zinc/58/76/51/672587651.db2.gz PIEMLLYJEBDJSD-UHFFFAOYSA-N 1 1 364.789 2.320 20 5 FEBDMO C[N@@H+](CCO)Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1Cl ZINC000590538299 672587656 /nfs/dbraw/zinc/58/76/56/672587656.db2.gz PIEMLLYJEBDJSD-UHFFFAOYSA-N 1 1 364.789 2.320 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591968 672594484 /nfs/dbraw/zinc/59/44/84/672594484.db2.gz WIMATIBBKHIKRV-NSHDSACASA-N 1 1 359.423 2.053 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000590759732 672612892 /nfs/dbraw/zinc/61/28/92/672612892.db2.gz LCZNDZKPVRCIBQ-QGZVFWFLSA-N 1 1 368.455 2.264 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000590759732 672612897 /nfs/dbraw/zinc/61/28/97/672612897.db2.gz LCZNDZKPVRCIBQ-QGZVFWFLSA-N 1 1 368.455 2.264 20 5 FEBDMO COC(=O)[C@H]1CSCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591057414 672645620 /nfs/dbraw/zinc/64/56/20/672645620.db2.gz LLEHORREUCXMMY-CYBMUJFWSA-N 1 1 354.428 2.202 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)c1 ZINC000611575903 676045134 /nfs/dbraw/zinc/04/51/34/676045134.db2.gz LHNBUDIIBQSOFO-CQSZACIVSA-N 1 1 358.320 2.217 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)c1 ZINC000611575903 676045135 /nfs/dbraw/zinc/04/51/35/676045135.db2.gz LHNBUDIIBQSOFO-CQSZACIVSA-N 1 1 358.320 2.217 20 5 FEBDMO C[C@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000591727748 672705403 /nfs/dbraw/zinc/70/54/03/672705403.db2.gz FVJNLEJXWZSBKT-NVXWUHKLSA-N 1 1 351.447 2.046 20 5 FEBDMO CCCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@@H+](C)C1 ZINC000591924764 672721866 /nfs/dbraw/zinc/72/18/66/672721866.db2.gz JDEBVHRRAYHWST-HNNXBMFYSA-N 1 1 350.419 2.229 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592196683 672770154 /nfs/dbraw/zinc/77/01/54/672770154.db2.gz XBFJGHXBYMHLNV-HUUCEWRRSA-N 1 1 350.415 2.368 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534726 672936305 /nfs/dbraw/zinc/93/63/05/672936305.db2.gz RJWZHERYLZHWSD-GUTXKFCHSA-N 1 1 368.459 2.016 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594482994 673086659 /nfs/dbraw/zinc/08/66/59/673086659.db2.gz HAKLZGBSLIKRTR-RYUDHWBXSA-N 1 1 359.473 2.260 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594482994 673086664 /nfs/dbraw/zinc/08/66/64/673086664.db2.gz HAKLZGBSLIKRTR-RYUDHWBXSA-N 1 1 359.473 2.260 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594801798 673147826 /nfs/dbraw/zinc/14/78/26/673147826.db2.gz SKAWDPBYUVWCEO-LLVKDONJSA-N 1 1 361.851 2.399 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)CN1CCN(C)CC1 ZINC000595012005 673186387 /nfs/dbraw/zinc/18/63/87/673186387.db2.gz MOBSKWXZMCHRNE-GJZGRUSLSA-N 1 1 350.463 2.138 20 5 FEBDMO C[NH2+][C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000595250198 673213893 /nfs/dbraw/zinc/21/38/93/673213893.db2.gz MKBMGCBVCGAKCF-ZDUSSCGKSA-N 1 1 372.212 2.175 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000462706201 673277029 /nfs/dbraw/zinc/27/70/29/673277029.db2.gz RRRSLSVJZYRUMC-LBPRGKRZSA-N 1 1 359.423 2.229 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000462871719 673286813 /nfs/dbraw/zinc/28/68/13/673286813.db2.gz CSANCTOYYZCJNC-AWEZNQCLSA-N 1 1 352.387 2.146 20 5 FEBDMO O=C(C[N@H+]1CCC[C@](O)(C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595749074 673289020 /nfs/dbraw/zinc/28/90/20/673289020.db2.gz DAZXWPVMJPJSTO-MRXNPFEDSA-N 1 1 353.806 2.424 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@](O)(C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595749074 673289022 /nfs/dbraw/zinc/28/90/22/673289022.db2.gz DAZXWPVMJPJSTO-MRXNPFEDSA-N 1 1 353.806 2.424 20 5 FEBDMO CNc1c(C(=O)NCC[N@@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000462934616 673289913 /nfs/dbraw/zinc/28/99/13/673289913.db2.gz CLFSDRRNNFDAQL-UHFFFAOYSA-N 1 1 360.439 2.486 20 5 FEBDMO CNc1c(C(=O)NCC[N@H+]2CCc3sccc3C2)cccc1[N+](=O)[O-] ZINC000462934616 673289917 /nfs/dbraw/zinc/28/99/17/673289917.db2.gz CLFSDRRNNFDAQL-UHFFFAOYSA-N 1 1 360.439 2.486 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(N[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596335192 673377850 /nfs/dbraw/zinc/37/78/50/673377850.db2.gz GNWUKDQNDLWFSR-LBPRGKRZSA-N 1 1 370.475 2.130 20 5 FEBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000537629452 673398262 /nfs/dbraw/zinc/39/82/62/673398262.db2.gz HMECBRSUIMUKQH-CQSZACIVSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000537629452 673398263 /nfs/dbraw/zinc/39/82/63/673398263.db2.gz HMECBRSUIMUKQH-CQSZACIVSA-N 1 1 365.411 2.108 20 5 FEBDMO CCOc1cc(Sc2nnnn2C[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000537833774 673410206 /nfs/dbraw/zinc/41/02/06/673410206.db2.gz OVEBPEKPCVDGLB-LLVKDONJSA-N 1 1 364.431 2.083 20 5 FEBDMO COCCOC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000539832829 673508584 /nfs/dbraw/zinc/50/85/84/673508584.db2.gz CVPJYXCGZZOGFX-UHFFFAOYSA-N 1 1 354.403 2.239 20 5 FEBDMO CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000597947444 673522765 /nfs/dbraw/zinc/52/27/65/673522765.db2.gz YIYGOBZTZSWVCZ-CQSZACIVSA-N 1 1 367.471 2.389 20 5 FEBDMO NS(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000599125759 673635325 /nfs/dbraw/zinc/63/53/25/673635325.db2.gz BGITUJMYXZQDKD-AWEZNQCLSA-N 1 1 368.459 2.061 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000599389866 673667935 /nfs/dbraw/zinc/66/79/35/673667935.db2.gz DXJFVTMUGWCASB-HNNXBMFYSA-N 1 1 353.444 2.280 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CC(O)(CC)CC)c([N+](=O)[O-])c1 ZINC000599673441 673705074 /nfs/dbraw/zinc/70/50/74/673705074.db2.gz ONYSIZAZMCFFLT-UHFFFAOYSA-N 1 1 353.419 2.415 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599693540 673707060 /nfs/dbraw/zinc/70/70/60/673707060.db2.gz YCMTVHWAVVCNNS-LLVKDONJSA-N 1 1 361.851 2.009 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599693540 673707062 /nfs/dbraw/zinc/70/70/62/673707062.db2.gz YCMTVHWAVVCNNS-LLVKDONJSA-N 1 1 361.851 2.009 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH+](CCCF)CC2)c1 ZINC000600071944 673738533 /nfs/dbraw/zinc/73/85/33/673738533.db2.gz IMLKMKMQXUPDRO-UHFFFAOYSA-N 1 1 353.394 2.176 20 5 FEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000600077268 673738812 /nfs/dbraw/zinc/73/88/12/673738812.db2.gz ZAXUEZIJYYGEKT-UHFFFAOYSA-N 1 1 374.210 2.475 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC([NH+]2CCOCC2)CC1 ZINC000600105366 673741030 /nfs/dbraw/zinc/74/10/30/673741030.db2.gz NNJSMOGBLHWMLX-UHFFFAOYSA-N 1 1 353.806 2.185 20 5 FEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000601106066 673826379 /nfs/dbraw/zinc/82/63/79/673826379.db2.gz LPBMKJRKTJTGNK-UHFFFAOYSA-N 1 1 366.315 2.220 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601108368 673826439 /nfs/dbraw/zinc/82/64/39/673826439.db2.gz FLHLFEHLAVGNPV-OKILXGFUSA-N 1 1 351.426 2.124 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601461293 673866449 /nfs/dbraw/zinc/86/64/49/673866449.db2.gz AKCDANKGMQCPFU-LLVKDONJSA-N 1 1 361.489 2.363 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3nccc4sccc43)CC2)c1 ZINC000566878783 675249800 /nfs/dbraw/zinc/24/98/00/675249800.db2.gz TZYCJLMKAQNVLW-UHFFFAOYSA-N 1 1 358.427 2.223 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O)C(C)C ZINC000823314051 675544306 /nfs/dbraw/zinc/54/43/06/675544306.db2.gz DWSAHGVIBRGKFX-UHFFFAOYSA-N 1 1 354.382 2.152 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000823782242 675571499 /nfs/dbraw/zinc/57/14/99/675571499.db2.gz NJSJQHWFYCEZMW-LBPRGKRZSA-N 1 1 350.371 2.397 20 5 FEBDMO CCOC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC12COC2 ZINC000824489240 675605797 /nfs/dbraw/zinc/60/57/97/675605797.db2.gz HQGUPRGSEXNQLO-GFCCVEGCSA-N 1 1 354.790 2.260 20 5 FEBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC12COC2 ZINC000824489240 675605798 /nfs/dbraw/zinc/60/57/98/675605798.db2.gz HQGUPRGSEXNQLO-GFCCVEGCSA-N 1 1 354.790 2.260 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000826945796 675717446 /nfs/dbraw/zinc/71/74/46/675717446.db2.gz GTGOCEDRDQDUFO-GFCCVEGCSA-N 1 1 350.394 2.109 20 5 FEBDMO O=C1CC[C@H]2C[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000827139764 675733074 /nfs/dbraw/zinc/73/30/74/675733074.db2.gz DXVYHZULXXRCFY-GWCFXTLKSA-N 1 1 368.231 2.458 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])CC[C@@H]2N1 ZINC000827139764 675733076 /nfs/dbraw/zinc/73/30/76/675733076.db2.gz DXVYHZULXXRCFY-GWCFXTLKSA-N 1 1 368.231 2.458 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000618068367 676318576 /nfs/dbraw/zinc/31/85/76/676318576.db2.gz WRDAQDWOTGAPHG-OAHLLOKOSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000618068367 676318579 /nfs/dbraw/zinc/31/85/79/676318579.db2.gz WRDAQDWOTGAPHG-OAHLLOKOSA-N 1 1 353.444 2.198 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000619476568 676379302 /nfs/dbraw/zinc/37/93/02/676379302.db2.gz MSRFFEFBKFLRLL-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000619476418 676379387 /nfs/dbraw/zinc/37/93/87/676379387.db2.gz OOFZDYCXWHGGDO-QWHCGFSZSA-N 1 1 371.459 2.145 20 5 FEBDMO CSC[C@@H]1CCC[N@@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840028902 680793758 /nfs/dbraw/zinc/79/37/58/680793758.db2.gz UONDWAMZGMOGMZ-BBRMVZONSA-N 1 1 351.428 2.317 20 5 FEBDMO CSC[C@@H]1CCC[N@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840028902 680793761 /nfs/dbraw/zinc/79/37/61/680793761.db2.gz UONDWAMZGMOGMZ-BBRMVZONSA-N 1 1 351.428 2.317 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000765506194 680844333 /nfs/dbraw/zinc/84/43/33/680844333.db2.gz CJLIJMCYXWYRCM-UHFFFAOYSA-N 1 1 366.219 2.417 20 5 FEBDMO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000749320534 680040079 /nfs/dbraw/zinc/04/00/79/680040079.db2.gz YGPAZWPSFDVIOU-ZDUSSCGKSA-N 1 1 354.401 2.478 20 5 FEBDMO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000749320534 680040086 /nfs/dbraw/zinc/04/00/86/680040086.db2.gz YGPAZWPSFDVIOU-ZDUSSCGKSA-N 1 1 354.401 2.478 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000832764077 680174283 /nfs/dbraw/zinc/17/42/83/680174283.db2.gz IFIIPABWVHJTEV-GFCCVEGCSA-N 1 1 359.423 2.146 20 5 FEBDMO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000754509660 680360617 /nfs/dbraw/zinc/36/06/17/680360617.db2.gz LQCJJYNHLUHPBD-KRWDZBQOSA-N 1 1 350.415 2.474 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836201069 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JJVFBDVUUWTCSR-KBUPBQIOSA-N 1 1 366.487 2.190 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1OC ZINC000845815216 681154239 /nfs/dbraw/zinc/15/42/39/681154239.db2.gz VZQGMUSZNZTNEJ-NEPJUHHUSA-N 1 1 352.387 2.499 20 5 FEBDMO CN1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC[N@@H+](C)CC1 ZINC000933992671 681494503 /nfs/dbraw/zinc/49/45/03/681494503.db2.gz YWNLYVKUXBDURY-UHFFFAOYSA-N 1 1 371.279 2.037 20 5 FEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848581633 681582605 /nfs/dbraw/zinc/58/26/05/681582605.db2.gz BHSSNEZQRNQRFW-LBPRGKRZSA-N 1 1 357.357 2.415 20 5 FEBDMO O=C(N1CC[C@H]([NH+]2CC=CC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584475 681583275 /nfs/dbraw/zinc/58/32/75/681583275.db2.gz ZAADMIQOLRSTKY-ZDUSSCGKSA-N 1 1 353.325 2.039 20 5 FEBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000912955280 685467929 /nfs/dbraw/zinc/46/79/29/685467929.db2.gz PLZZOKMSHJJNME-UHFFFAOYSA-N 1 1 367.471 2.304 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000849411282 681719372 /nfs/dbraw/zinc/71/93/72/681719372.db2.gz DAVODPZTYOEXJW-LBPRGKRZSA-N 1 1 373.450 2.441 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000779892463 681767086 /nfs/dbraw/zinc/76/70/86/681767086.db2.gz JDPQOSVLQRZIGH-GFCCVEGCSA-N 1 1 373.862 2.319 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](CCCCCO)CC1 ZINC000913688492 685482091 /nfs/dbraw/zinc/48/20/91/685482091.db2.gz XLAQBNQVXVZPLS-UHFFFAOYSA-N 1 1 355.822 2.169 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850508023 681909910 /nfs/dbraw/zinc/90/99/10/681909910.db2.gz QSIRSGGXZDTHMM-NSHDSACASA-N 1 1 368.821 2.176 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000917082687 685529588 /nfs/dbraw/zinc/52/95/88/685529588.db2.gz YAJWSOUFVXFQGL-QWHCGFSZSA-N 1 1 350.375 2.342 20 5 FEBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000785734672 682321723 /nfs/dbraw/zinc/32/17/23/682321723.db2.gz UKSJYOCLQLAOJF-GHMZBOCLSA-N 1 1 353.350 2.088 20 5 FEBDMO CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000787962288 682493817 /nfs/dbraw/zinc/49/38/17/682493817.db2.gz ONFZSFWWZJDHMF-AWEZNQCLSA-N 1 1 357.794 2.316 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000791063898 682721396 /nfs/dbraw/zinc/72/13/96/682721396.db2.gz ZAJNTVOPLKNDDV-CQSZACIVSA-N 1 1 350.375 2.353 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791210651 682728648 /nfs/dbraw/zinc/72/86/48/682728648.db2.gz XPNABROGOOBFKF-GFCCVEGCSA-N 1 1 352.410 2.404 20 5 FEBDMO CC(C)N1CC[NH+](CCCOC(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000791735806 682762734 /nfs/dbraw/zinc/76/27/34/682762734.db2.gz AKRCBXVRZYPMAG-UHFFFAOYSA-N 1 1 353.394 2.307 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796294952 683150832 /nfs/dbraw/zinc/15/08/32/683150832.db2.gz SOEBUAAYZVLFFN-OCCSQVGLSA-N 1 1 362.304 2.056 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796294952 683150836 /nfs/dbraw/zinc/15/08/36/683150836.db2.gz SOEBUAAYZVLFFN-OCCSQVGLSA-N 1 1 362.304 2.056 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000919836681 683301613 /nfs/dbraw/zinc/30/16/13/683301613.db2.gz GSKVXSXCOAJCKX-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000919836681 683301617 /nfs/dbraw/zinc/30/16/17/683301617.db2.gz GSKVXSXCOAJCKX-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000920704669 683362242 /nfs/dbraw/zinc/36/22/42/683362242.db2.gz UZKDREGZKJNCGK-CYBMUJFWSA-N 1 1 370.427 2.030 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823661 683480119 /nfs/dbraw/zinc/48/01/19/683480119.db2.gz AFYPYLFMZOHZRC-OCCSQVGLSA-N 1 1 353.806 2.183 20 5 FEBDMO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385733 683711910 /nfs/dbraw/zinc/71/19/10/683711910.db2.gz ABVYJRXAVOJQGC-BRSBDYLESA-N 1 1 351.422 2.303 20 5 FEBDMO CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385733 683711911 /nfs/dbraw/zinc/71/19/11/683711911.db2.gz ABVYJRXAVOJQGC-BRSBDYLESA-N 1 1 351.422 2.303 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000930543692 683749263 /nfs/dbraw/zinc/74/92/63/683749263.db2.gz CQJOVWKHMMRZDL-AOOOYVTPSA-N 1 1 369.219 2.383 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866893077 684175889 /nfs/dbraw/zinc/17/58/89/684175889.db2.gz KBSUVFAKUVZFPO-LBPRGKRZSA-N 1 1 359.423 2.005 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867813575 684397319 /nfs/dbraw/zinc/39/73/19/684397319.db2.gz XYJVRVAEFGTUPX-WCQYABFASA-N 1 1 373.862 2.271 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000870828998 684760443 /nfs/dbraw/zinc/76/04/43/684760443.db2.gz ZVIBYVPLKIIHTE-TZDAIYRESA-N 1 1 354.382 2.251 20 5 FEBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000876979795 686304455 /nfs/dbraw/zinc/30/44/55/686304455.db2.gz AIBIJZQNPUGCCI-HPEXNQPKSA-N 1 1 357.357 2.040 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](OC)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000879320613 686794426 /nfs/dbraw/zinc/79/44/26/686794426.db2.gz HXYRZBHBXVYTDA-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000879368717 686806853 /nfs/dbraw/zinc/80/68/53/686806853.db2.gz SDJTYNIRXUFRLV-KBPBESRZSA-N 1 1 358.341 2.149 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000879368717 686806862 /nfs/dbraw/zinc/80/68/62/686806862.db2.gz SDJTYNIRXUFRLV-KBPBESRZSA-N 1 1 358.341 2.149 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879558192 686855158 /nfs/dbraw/zinc/85/51/58/686855158.db2.gz HUANODKARSKUCA-NEPJUHHUSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879558192 686855165 /nfs/dbraw/zinc/85/51/65/686855165.db2.gz HUANODKARSKUCA-NEPJUHHUSA-N 1 1 351.428 2.227 20 5 FEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000882484293 687375338 /nfs/dbraw/zinc/37/53/38/687375338.db2.gz YHKDTZOCBPFUGA-SNVBAGLBSA-N 1 1 361.320 2.360 20 5 FEBDMO C[C@H](Nc1c(Br)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895246452 689683507 /nfs/dbraw/zinc/68/35/07/689683507.db2.gz BTCJVGMKIWQYAF-GXFFZTMASA-N 1 1 357.252 2.404 20 5 FEBDMO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1C[N@@H+](C)CCN1C ZINC000896579281 689900074 /nfs/dbraw/zinc/90/00/74/689900074.db2.gz BQFATQIUDJITHW-SMDDNHRTSA-N 1 1 362.455 2.174 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(C(F)(F)F)c1 ZINC000897218244 689989415 /nfs/dbraw/zinc/98/94/15/689989415.db2.gz BPFFYISQCWYHAQ-QWHCGFSZSA-N 1 1 360.336 2.044 20 5 FEBDMO CN1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000897858273 690091817 /nfs/dbraw/zinc/09/18/17/690091817.db2.gz DVIFOFJAFNXTGT-UHFFFAOYSA-N 1 1 360.380 2.293 20 5 FEBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000413469808 719483113 /nfs/dbraw/zinc/48/31/13/719483113.db2.gz LOSGJIKHLAIZER-JKSUJKDBSA-N 1 1 358.373 2.315 20 5 FEBDMO Cc1c(C)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164771718 721148258 /nfs/dbraw/zinc/14/82/58/721148258.db2.gz SRGKFOWIDORSPP-DLBZAZTESA-N 1 1 370.457 2.298 20 5 FEBDMO O=[N+]([O-])c1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164780605 721419256 /nfs/dbraw/zinc/41/92/56/721419256.db2.gz BOZMSOXIGHZSCU-RYUDHWBXSA-N 1 1 370.438 2.496 20 5 FEBDMO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911988 721529109 /nfs/dbraw/zinc/52/91/09/721529109.db2.gz XYRUOKZXGBTCGO-GDBMZVCRSA-N 1 1 373.388 2.174 20 5 FEBDMO Cc1cc(Cl)nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1[N+](=O)[O-] ZINC001164967256 722070041 /nfs/dbraw/zinc/07/00/41/722070041.db2.gz LFFDSQKIAZXHOP-BETUJISGSA-N 1 1 352.822 2.251 20 5 FEBDMO C[C@@H]1C[C@@H](CCNc2ncc([N+](=O)[O-])c(N)n2)C[N@H+]1Cc1ccccc1 ZINC000511635223 795275643 /nfs/dbraw/zinc/27/56/43/795275643.db2.gz FBWRCMILNGFTCM-UKRRQHHQSA-N 1 1 356.430 2.102 20 5 FEBDMO C[N@@H+](CCOc1ccccc1F)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025697699 539766660 /nfs/dbraw/zinc/76/66/60/539766660.db2.gz QBRUMGJCDXDFOU-HNNXBMFYSA-N 1 1 364.373 2.484 20 5 FEBDMO C[N@@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000030029489 539873048 /nfs/dbraw/zinc/87/30/48/539873048.db2.gz VNYZHCKCRIODTR-SFHVURJKSA-N 1 1 355.394 2.489 20 5 FEBDMO C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000030029489 539873050 /nfs/dbraw/zinc/87/30/50/539873050.db2.gz VNYZHCKCRIODTR-SFHVURJKSA-N 1 1 355.394 2.489 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000031208790 539901438 /nfs/dbraw/zinc/90/14/38/539901438.db2.gz QTBFFFSTMHTDCW-MRXNPFEDSA-N 1 1 369.381 2.406 20 5 FEBDMO C[NH+](C)Cc1cccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)c1 ZINC000033089626 539966864 /nfs/dbraw/zinc/96/68/64/539966864.db2.gz ANOZWFZMNGWUOE-UHFFFAOYSA-N 1 1 353.382 2.463 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041787915 540033179 /nfs/dbraw/zinc/03/31/79/540033179.db2.gz WZSCVISBBOFCRB-CQSZACIVSA-N 1 1 362.430 2.162 20 5 FEBDMO CCC[NH+]1CCN(C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])CC1 ZINC000053267226 540521415 /nfs/dbraw/zinc/52/14/15/540521415.db2.gz UQOCYXBTPDKOPN-UHFFFAOYSA-N 1 1 351.403 2.170 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000055216032 540635990 /nfs/dbraw/zinc/63/59/90/540635990.db2.gz OEFOFWQWKFTXNU-LBPRGKRZSA-N 1 1 373.431 2.377 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000057715252 540810919 /nfs/dbraw/zinc/81/09/19/540810919.db2.gz UYMQTFZHQIBFGD-LLVKDONJSA-N 1 1 351.403 2.215 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000058274317 540836992 /nfs/dbraw/zinc/83/69/92/540836992.db2.gz IGSRGTIJVKDZAK-AWEZNQCLSA-N 1 1 371.441 2.457 20 5 FEBDMO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000060950642 541124275 /nfs/dbraw/zinc/12/42/75/541124275.db2.gz UAQZTNXGZLEGGI-ZDUSSCGKSA-N 1 1 371.459 2.146 20 5 FEBDMO COc1cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000065675020 541252278 /nfs/dbraw/zinc/25/22/78/541252278.db2.gz ONTPMBPCDFHKOL-STQMWFEESA-N 1 1 365.430 2.462 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000065876540 541267831 /nfs/dbraw/zinc/26/78/31/541267831.db2.gz MUMUYTZQTQDCOB-UHFFFAOYSA-N 1 1 363.462 2.214 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066327222 541302341 /nfs/dbraw/zinc/30/23/41/541302341.db2.gz RYZSDZZMKDGFPU-GFCCVEGCSA-N 1 1 355.441 2.238 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000066630143 541350695 /nfs/dbraw/zinc/35/06/95/541350695.db2.gz JLHCYYFASSPPFO-CHWSQXEVSA-N 1 1 363.414 2.216 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000067702561 541501257 /nfs/dbraw/zinc/50/12/57/541501257.db2.gz FBCAEIROGFHONQ-DAYGRLMNSA-N 1 1 361.442 2.238 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000067702561 541501260 /nfs/dbraw/zinc/50/12/60/541501260.db2.gz FBCAEIROGFHONQ-DAYGRLMNSA-N 1 1 361.442 2.238 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000068779028 541627141 /nfs/dbraw/zinc/62/71/41/541627141.db2.gz AQXJYZNWSYXNKR-UHFFFAOYSA-N 1 1 357.414 2.337 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000074073766 542034213 /nfs/dbraw/zinc/03/42/13/542034213.db2.gz IFPIAUJTWNWYDI-UHFFFAOYSA-N 1 1 357.414 2.338 20 5 FEBDMO CC(=O)NCC[N@@H+](Cc1ccsc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801558917 674135065 /nfs/dbraw/zinc/13/50/65/674135065.db2.gz YSVGKRFYFCNPDJ-KRWDZBQOSA-N 1 1 363.439 2.328 20 5 FEBDMO CC(=O)NCC[N@H+](Cc1ccsc1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000801558917 674135067 /nfs/dbraw/zinc/13/50/67/674135067.db2.gz YSVGKRFYFCNPDJ-KRWDZBQOSA-N 1 1 363.439 2.328 20 5 FEBDMO Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000076329550 542260830 /nfs/dbraw/zinc/26/08/30/542260830.db2.gz VEQNBTQAJMHKRB-UHFFFAOYSA-N 1 1 363.462 2.393 20 5 FEBDMO Cc1ccc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000076329550 542260835 /nfs/dbraw/zinc/26/08/35/542260835.db2.gz VEQNBTQAJMHKRB-UHFFFAOYSA-N 1 1 363.462 2.393 20 5 FEBDMO C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000076331273 542261308 /nfs/dbraw/zinc/26/13/08/542261308.db2.gz UGYILFFHJATEKL-GFCCVEGCSA-N 1 1 369.853 2.253 20 5 FEBDMO C[N@@H+](CCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000077302661 542364367 /nfs/dbraw/zinc/36/43/67/542364367.db2.gz PTYQPHPNNABQRF-UHFFFAOYSA-N 1 1 370.475 2.309 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000038628644 208204328 /nfs/dbraw/zinc/20/43/28/208204328.db2.gz VFTYAXGZMKEKAV-MRXNPFEDSA-N 1 1 363.439 2.484 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000047144326 208373737 /nfs/dbraw/zinc/37/37/37/208373737.db2.gz NFWQNYYGTNMKCS-CQSZACIVSA-N 1 1 357.414 2.385 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000077356723 542372041 /nfs/dbraw/zinc/37/20/41/542372041.db2.gz SEJRQIMXCUBPLL-UHFFFAOYSA-N 1 1 351.403 2.431 20 5 FEBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000080554298 542594135 /nfs/dbraw/zinc/59/41/35/542594135.db2.gz NZERHSPGHZKUNI-UHFFFAOYSA-N 1 1 360.336 2.236 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932841 542776115 /nfs/dbraw/zinc/77/61/15/542776115.db2.gz TVSLTQCTWGMTNF-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932838 542775134 /nfs/dbraw/zinc/77/51/34/542775134.db2.gz TVSLTQCTWGMTNF-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO CN(CCCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092652805 542877998 /nfs/dbraw/zinc/87/79/98/542877998.db2.gz UAUYNMVUPWNSHR-UHFFFAOYSA-N 1 1 358.389 2.270 20 5 FEBDMO CC(C)C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000105591302 543177735 /nfs/dbraw/zinc/17/77/35/543177735.db2.gz DSDUGCKTRPIHNU-LBPRGKRZSA-N 1 1 353.448 2.463 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000106864454 543250716 /nfs/dbraw/zinc/25/07/16/543250716.db2.gz FAKFZRXLOMVLEM-DOMZBBRYSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000107892526 543281052 /nfs/dbraw/zinc/28/10/52/543281052.db2.gz AUGPTXOMSKLPJO-CQSZACIVSA-N 1 1 367.471 2.295 20 5 FEBDMO COC(=O)CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(C)C ZINC000109575005 543327385 /nfs/dbraw/zinc/32/73/85/543327385.db2.gz ZAFHOHRTYXAGTR-UHFFFAOYSA-N 1 1 351.403 2.363 20 5 FEBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111221045 543385945 /nfs/dbraw/zinc/38/59/45/543385945.db2.gz QAUBZJATKIPMQZ-OCCSQVGLSA-N 1 1 358.398 2.378 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000113301316 543483000 /nfs/dbraw/zinc/48/30/00/543483000.db2.gz GKQDLXALOKESSC-OAHLLOKOSA-N 1 1 355.460 2.279 20 5 FEBDMO Cc1nn(CCC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000116651364 543612372 /nfs/dbraw/zinc/61/23/72/543612372.db2.gz CGSVNXWCIRWPAG-ZDUSSCGKSA-N 1 1 351.451 2.179 20 5 FEBDMO CCOc1ccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000123090068 543741187 /nfs/dbraw/zinc/74/11/87/543741187.db2.gz YXVRROSAPCOSOB-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000123792030 543783426 /nfs/dbraw/zinc/78/34/26/543783426.db2.gz LRASCVSPZHMPLA-HOCLYGCPSA-N 1 1 371.441 2.453 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000123791789 543783460 /nfs/dbraw/zinc/78/34/60/543783460.db2.gz LRASCVSPZHMPLA-ZBFHGGJFSA-N 1 1 371.441 2.453 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000123833070 543785437 /nfs/dbraw/zinc/78/54/37/543785437.db2.gz VZEKGBIXBJHQEV-ZDUSSCGKSA-N 1 1 358.398 2.500 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000123833070 543785439 /nfs/dbraw/zinc/78/54/39/543785439.db2.gz VZEKGBIXBJHQEV-ZDUSSCGKSA-N 1 1 358.398 2.500 20 5 FEBDMO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000124412783 543819474 /nfs/dbraw/zinc/81/94/74/543819474.db2.gz WRJPIFQRBJQKFJ-SECBINFHSA-N 1 1 356.231 2.163 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000124836800 543845919 /nfs/dbraw/zinc/84/59/19/543845919.db2.gz XQGUWSZBQZVXJT-RISCZKNCSA-N 1 1 363.443 2.203 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000125981860 543911946 /nfs/dbraw/zinc/91/19/46/543911946.db2.gz IEBVKGTZABSWAY-NSHDSACASA-N 1 1 354.370 2.313 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1C ZINC000126218569 543924378 /nfs/dbraw/zinc/92/43/78/543924378.db2.gz MMJSVYZBSVYEHG-QWHCGFSZSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C ZINC000126218569 543924381 /nfs/dbraw/zinc/92/43/81/543924381.db2.gz MMJSVYZBSVYEHG-QWHCGFSZSA-N 1 1 353.444 2.115 20 5 FEBDMO O=C(CC[NH+]1CCC(c2nc[nH]n2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128864858 544077852 /nfs/dbraw/zinc/07/78/52/544077852.db2.gz PLMYHBGXOXXZCM-UHFFFAOYSA-N 1 1 362.365 2.060 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C(C)C ZINC000130762888 544163770 /nfs/dbraw/zinc/16/37/70/544163770.db2.gz FYQJARHVKMXBBD-UHFFFAOYSA-N 1 1 355.460 2.403 20 5 FEBDMO CN(CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 ZINC000131860452 544209763 /nfs/dbraw/zinc/20/97/63/544209763.db2.gz OJHMUDZAGLRCLQ-UHFFFAOYSA-N 1 1 368.437 2.489 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000135507540 544349969 /nfs/dbraw/zinc/34/99/69/544349969.db2.gz ZSBOYMPWAUNBMH-HNNXBMFYSA-N 1 1 357.414 2.131 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000135507540 544349972 /nfs/dbraw/zinc/34/99/72/544349972.db2.gz ZSBOYMPWAUNBMH-HNNXBMFYSA-N 1 1 357.414 2.131 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000135507540 544349975 /nfs/dbraw/zinc/34/99/75/544349975.db2.gz ZSBOYMPWAUNBMH-HNNXBMFYSA-N 1 1 357.414 2.131 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000146588805 544440516 /nfs/dbraw/zinc/44/05/16/544440516.db2.gz PDJSRASEPQQVCG-LLVKDONJSA-N 1 1 359.835 2.107 20 5 FEBDMO Cc1ccc([C@@H]2CSCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000247527458 549349742 /nfs/dbraw/zinc/34/97/42/549349742.db2.gz NYDOZPVRLYTQER-SJORKVTESA-N 1 1 362.455 2.251 20 5 FEBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000152299621 544635747 /nfs/dbraw/zinc/63/57/47/544635747.db2.gz HEQMZISOVCGCAP-LBPRGKRZSA-N 1 1 369.219 2.047 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000152875512 544706232 /nfs/dbraw/zinc/70/62/32/544706232.db2.gz RPDLCFHFOMIBDF-ZFWWWQNUSA-N 1 1 353.444 2.008 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000153960970 544845094 /nfs/dbraw/zinc/84/50/94/544845094.db2.gz NTJACHNJXPQNIX-HNNXBMFYSA-N 1 1 371.441 2.488 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000154715329 544939576 /nfs/dbraw/zinc/93/95/76/544939576.db2.gz CGALQKCVWYYMPZ-KDOFPFPSSA-N 1 1 369.425 2.337 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(OCCCO)CC3)n2)cc1 ZINC000155058790 544983340 /nfs/dbraw/zinc/98/33/40/544983340.db2.gz BQUVVONNJXRGNM-UHFFFAOYSA-N 1 1 362.386 2.008 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000179068499 327623893 /nfs/dbraw/zinc/62/38/93/327623893.db2.gz AGMRHULYJGDVHW-UHFFFAOYSA-N 1 1 361.402 2.340 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000182924123 327794096 /nfs/dbraw/zinc/79/40/96/327794096.db2.gz KDDRQRDENBFCQD-OALUTQOASA-N 1 1 367.405 2.011 20 5 FEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000804343820 674281440 /nfs/dbraw/zinc/28/14/40/674281440.db2.gz FPPFXYFJWLGOKT-ZDUSSCGKSA-N 1 1 350.375 2.194 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000188033193 328061678 /nfs/dbraw/zinc/06/16/78/328061678.db2.gz WHZBBFHXBHPOCJ-SJCJKPOMSA-N 1 1 351.403 2.025 20 5 FEBDMO CSc1cccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000188255032 328076184 /nfs/dbraw/zinc/07/61/84/328076184.db2.gz YBDQMDMNJIYOQK-UHFFFAOYSA-N 1 1 367.471 2.236 20 5 FEBDMO COC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000188351210 328082123 /nfs/dbraw/zinc/08/21/23/328082123.db2.gz FCEMYFFFAJESJU-CXAGYDPISA-N 1 1 360.414 2.231 20 5 FEBDMO COC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000188351210 328082125 /nfs/dbraw/zinc/08/21/25/328082125.db2.gz FCEMYFFFAJESJU-CXAGYDPISA-N 1 1 360.414 2.231 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188628871 328099992 /nfs/dbraw/zinc/09/99/92/328099992.db2.gz LVMKSIMTNXDHDL-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188628871 328099993 /nfs/dbraw/zinc/09/99/93/328099993.db2.gz LVMKSIMTNXDHDL-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189410942 328146530 /nfs/dbraw/zinc/14/65/30/328146530.db2.gz HXICWQQPHWPLJG-OAHLLOKOSA-N 1 1 351.447 2.141 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)n1 ZINC000191794732 328282291 /nfs/dbraw/zinc/28/22/91/328282291.db2.gz PZVXRZVGVYLOJN-CYBMUJFWSA-N 1 1 361.402 2.280 20 5 FEBDMO COc1cccc2c1CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000193709282 328390764 /nfs/dbraw/zinc/39/07/64/328390764.db2.gz SNJBLEWZZIOHGS-KRWDZBQOSA-N 1 1 372.421 2.444 20 5 FEBDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522323 325362062 /nfs/dbraw/zinc/36/20/62/325362062.db2.gz OEFUMFDRWPZANK-MRXNPFEDSA-N 1 1 357.410 2.472 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843825 326107910 /nfs/dbraw/zinc/10/79/10/326107910.db2.gz OJOGLGULLPDYFY-ZIAGYGMSSA-N 1 1 364.446 2.204 20 5 FEBDMO CN(C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000118865972 326109950 /nfs/dbraw/zinc/10/99/50/326109950.db2.gz GSXSIHPOJJLPHH-CQSZACIVSA-N 1 1 355.398 2.139 20 5 FEBDMO CN(C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000118865972 326109952 /nfs/dbraw/zinc/10/99/52/326109952.db2.gz GSXSIHPOJJLPHH-CQSZACIVSA-N 1 1 355.398 2.139 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119979307 326217786 /nfs/dbraw/zinc/21/77/86/326217786.db2.gz VKRCSXVUJWDCIO-CQSZACIVSA-N 1 1 350.419 2.444 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000120178287 326238137 /nfs/dbraw/zinc/23/81/37/326238137.db2.gz QJLCXCNWQHVEQK-UHFFFAOYSA-N 1 1 363.462 2.359 20 5 FEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000120523086 326265840 /nfs/dbraw/zinc/26/58/40/326265840.db2.gz JGLMBQBQNRLIIF-YPMHNXCESA-N 1 1 351.403 2.024 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000121147089 326317048 /nfs/dbraw/zinc/31/70/48/326317048.db2.gz LHTJMBNOUAHHIN-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000121806188 326368810 /nfs/dbraw/zinc/36/88/10/326368810.db2.gz WNTLRGPDUCOICT-AWEZNQCLSA-N 1 1 374.441 2.317 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000122364681 326393848 /nfs/dbraw/zinc/39/38/48/326393848.db2.gz JIXLWIPEQMXRKN-HIFRSBDPSA-N 1 1 353.444 2.008 20 5 FEBDMO CC1CCC(O)(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000130237208 326553440 /nfs/dbraw/zinc/55/34/40/326553440.db2.gz YALGDUURWZCOBY-UHFFFAOYSA-N 1 1 367.471 2.355 20 5 FEBDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155363446 326786019 /nfs/dbraw/zinc/78/60/19/326786019.db2.gz QGCSATQCPZXBOL-UHFFFAOYSA-N 1 1 350.419 2.064 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000172619141 327211919 /nfs/dbraw/zinc/21/19/19/327211919.db2.gz QRLHOJNGJVEREI-ZFWWWQNUSA-N 1 1 357.414 2.335 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172801018 327220032 /nfs/dbraw/zinc/22/00/32/327220032.db2.gz SCNIHANQMYYBAO-DZGCQCFKSA-N 1 1 362.430 2.101 20 5 FEBDMO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000173179210 327239500 /nfs/dbraw/zinc/23/95/00/327239500.db2.gz VNSALSYVYHOPQE-GFCCVEGCSA-N 1 1 353.444 2.420 20 5 FEBDMO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173474434 327259998 /nfs/dbraw/zinc/25/99/98/327259998.db2.gz HZVSANBWSAYJDT-CABCVRRESA-N 1 1 363.462 2.369 20 5 FEBDMO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173474434 327259999 /nfs/dbraw/zinc/25/99/99/327259999.db2.gz HZVSANBWSAYJDT-CABCVRRESA-N 1 1 363.462 2.369 20 5 FEBDMO CC1CCC([N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCO2)CC1 ZINC000173866650 327289780 /nfs/dbraw/zinc/28/97/80/327289780.db2.gz JBGMIQSOGDAPFR-RLNQZENFSA-N 1 1 366.462 2.212 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174201324 327312793 /nfs/dbraw/zinc/31/27/93/327312793.db2.gz AJRDUZCBRNIAIQ-LBPRGKRZSA-N 1 1 353.806 2.043 20 5 FEBDMO CCc1ccc(C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174227889 327314296 /nfs/dbraw/zinc/31/42/96/327314296.db2.gz SORPVVVJMCHLNB-SFHVURJKSA-N 1 1 362.474 2.159 20 5 FEBDMO C[C@H](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000175161503 327377586 /nfs/dbraw/zinc/37/75/86/327377586.db2.gz CGWGVXUDIOBUOB-CYBMUJFWSA-N 1 1 357.414 2.411 20 5 FEBDMO Cc1cc(N2CCC(NC(=O)c3csc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000178177938 327570371 /nfs/dbraw/zinc/57/03/71/327570371.db2.gz KOAGELMPFLZSIO-UHFFFAOYSA-N 1 1 361.427 2.462 20 5 FEBDMO Cc1cc(NC[C@H](C)[NH+]2CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264957437 329078330 /nfs/dbraw/zinc/07/83/30/329078330.db2.gz WUWGWXOEQBKULM-HNNXBMFYSA-N 1 1 370.457 2.408 20 5 FEBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000266193204 329198958 /nfs/dbraw/zinc/19/89/58/329198958.db2.gz FNWVHKAKOFRFLW-LBPRGKRZSA-N 1 1 353.806 2.043 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566466 329236841 /nfs/dbraw/zinc/23/68/41/329236841.db2.gz RLQDHQZYPFLRAC-KBPBESRZSA-N 1 1 363.414 2.311 20 5 FEBDMO C[N@H+](Cc1cccc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266569073 329237203 /nfs/dbraw/zinc/23/72/03/329237203.db2.gz KXFBSFGBGOOQGH-CQSZACIVSA-N 1 1 369.219 2.047 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000266734437 329254082 /nfs/dbraw/zinc/25/40/82/329254082.db2.gz OMIFDYDISZMTPU-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000267058063 329287380 /nfs/dbraw/zinc/28/73/80/329287380.db2.gz SNLUCMMRFFIROA-UHFFFAOYSA-N 1 1 366.336 2.367 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CCO)CCOCC(F)(F)F ZINC000267058063 329287381 /nfs/dbraw/zinc/28/73/81/329287381.db2.gz SNLUCMMRFFIROA-UHFFFAOYSA-N 1 1 366.336 2.367 20 5 FEBDMO CCc1ccc([C@@H](COC)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000273221910 329846613 /nfs/dbraw/zinc/84/66/13/329846613.db2.gz AYJSOHSLSOGJRT-RHSMWYFYSA-N 1 1 364.398 2.467 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCOCCOCCOC ZINC000276234096 330132036 /nfs/dbraw/zinc/13/20/36/330132036.db2.gz KYNSYVKBTMARJZ-UHFFFAOYSA-N 1 1 356.419 2.105 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCOCCOCCOC ZINC000276234096 330132035 /nfs/dbraw/zinc/13/20/35/330132035.db2.gz KYNSYVKBTMARJZ-UHFFFAOYSA-N 1 1 356.419 2.105 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000276304372 330138817 /nfs/dbraw/zinc/13/88/17/330138817.db2.gz NPGRAWRCSGVVRI-HNNXBMFYSA-N 1 1 367.471 2.453 20 5 FEBDMO COC(=O)c1cnc(N2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000276506995 330159449 /nfs/dbraw/zinc/15/94/49/330159449.db2.gz DFNNAAPDRFLHSW-UHFFFAOYSA-N 1 1 370.409 2.489 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821023 330208145 /nfs/dbraw/zinc/20/81/45/330208145.db2.gz SLDRKOSWJANOFC-QAPCUYQASA-N 1 1 371.441 2.160 20 5 FEBDMO CC(=O)c1ccc(N2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000367199954 330229110 /nfs/dbraw/zinc/22/91/10/330229110.db2.gz FOEQURCXUXNGAB-RHSMWYFYSA-N 1 1 360.458 2.260 20 5 FEBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461429 330245015 /nfs/dbraw/zinc/24/50/15/330245015.db2.gz XWFNYAWNDVZEAF-YJBOKZPZSA-N 1 1 360.414 2.295 20 5 FEBDMO C[C@H](c1ccccc1)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(N)=O ZINC000411379221 330256012 /nfs/dbraw/zinc/25/60/12/330256012.db2.gz DTJHFIHSFIBJSY-CQSZACIVSA-N 1 1 370.409 2.472 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000157580269 545758334 /nfs/dbraw/zinc/75/83/34/545758334.db2.gz PKWALORGACYHAL-INIZCTEOSA-N 1 1 365.430 2.359 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000161726227 546133892 /nfs/dbraw/zinc/13/38/92/546133892.db2.gz UHLYYAZAWYYDKZ-BXUZGUMPSA-N 1 1 353.444 2.156 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000161726227 546133896 /nfs/dbraw/zinc/13/38/96/546133896.db2.gz UHLYYAZAWYYDKZ-BXUZGUMPSA-N 1 1 353.444 2.156 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000172014934 546232763 /nfs/dbraw/zinc/23/27/63/546232763.db2.gz SXVVPTWTWGOCEF-KRWDZBQOSA-N 1 1 363.439 2.484 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000480869518 561218933 /nfs/dbraw/zinc/21/89/33/561218933.db2.gz XODRZRXCXPCXCF-UHFFFAOYSA-N 1 1 355.398 2.233 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000480869518 561218934 /nfs/dbraw/zinc/21/89/34/561218934.db2.gz XODRZRXCXPCXCF-UHFFFAOYSA-N 1 1 355.398 2.233 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000481125631 561225723 /nfs/dbraw/zinc/22/57/23/561225723.db2.gz KVUCXFATEQLCIF-CYBMUJFWSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178869676 546863937 /nfs/dbraw/zinc/86/39/37/546863937.db2.gz AONLCBVZEBHBBZ-DOMZBBRYSA-N 1 1 353.419 2.473 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(NC2CC[NH+](CC3CC3)CC2)s1 ZINC000179571889 546979563 /nfs/dbraw/zinc/97/95/63/546979563.db2.gz UFZBQDWWGFAOKC-UHFFFAOYSA-N 1 1 359.473 2.346 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000483058185 561266198 /nfs/dbraw/zinc/26/61/98/561266198.db2.gz ZBMXPSARRDIXCJ-DYVFJYSZSA-N 1 1 363.414 2.192 20 5 FEBDMO Cn1cc(C[N@@H+]2CCCC3(C2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182082886 547434173 /nfs/dbraw/zinc/43/41/73/547434173.db2.gz UNXNWGNXECDJSM-UHFFFAOYSA-N 1 1 358.398 2.334 20 5 FEBDMO Cn1cc(C[N@H+]2CCCC3(C2)OCCO3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000182082886 547434176 /nfs/dbraw/zinc/43/41/76/547434176.db2.gz UNXNWGNXECDJSM-UHFFFAOYSA-N 1 1 358.398 2.334 20 5 FEBDMO CN(C)C(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000182215398 547454570 /nfs/dbraw/zinc/45/45/70/547454570.db2.gz VPEFIKMVTCNIJA-UHFFFAOYSA-N 1 1 363.414 2.152 20 5 FEBDMO COc1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000182512272 547506280 /nfs/dbraw/zinc/50/62/80/547506280.db2.gz ROCUGKYAIISWTP-OAHLLOKOSA-N 1 1 358.394 2.401 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000183439226 547659411 /nfs/dbraw/zinc/65/94/11/547659411.db2.gz MSNUEVJHLZPNCA-SFHVURJKSA-N 1 1 369.421 2.400 20 5 FEBDMO COC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184631489 547857650 /nfs/dbraw/zinc/85/76/50/547857650.db2.gz AIMUKKBFCXNVND-GDBMZVCRSA-N 1 1 350.371 2.213 20 5 FEBDMO COC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184772747 547878196 /nfs/dbraw/zinc/87/81/96/547878196.db2.gz QAEHYGWZBUSBPB-KBPBESRZSA-N 1 1 350.371 2.213 20 5 FEBDMO COC(=O)c1cc(N[C@@H](C)CCN2CC[NH+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC000184828335 547884266 /nfs/dbraw/zinc/88/42/66/547884266.db2.gz VJUVREPAIRAJHF-AWEZNQCLSA-N 1 1 364.446 2.128 20 5 FEBDMO C[N@@H+](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000485439480 561319198 /nfs/dbraw/zinc/31/91/98/561319198.db2.gz NVDLNWFYSGQZSC-INIZCTEOSA-N 1 1 351.472 2.471 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](CO)CC(C)C ZINC000185372030 547976468 /nfs/dbraw/zinc/97/64/68/547976468.db2.gz RIKHGWGRUYZNQY-AWEZNQCLSA-N 1 1 353.419 2.271 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000186166184 548093417 /nfs/dbraw/zinc/09/34/17/548093417.db2.gz GEHSMBUIXDDWEL-LJQANCHMSA-N 1 1 356.426 2.371 20 5 FEBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194736914 548523377 /nfs/dbraw/zinc/52/33/77/548523377.db2.gz MOHCRJFPXDJVBS-OAHLLOKOSA-N 1 1 354.410 2.429 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000194882364 548544385 /nfs/dbraw/zinc/54/43/85/548544385.db2.gz DFSZIJRFYNBCSZ-ZDUSSCGKSA-N 1 1 360.418 2.147 20 5 FEBDMO CCc1nn(C)c(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000195271006 548607848 /nfs/dbraw/zinc/60/78/48/548607848.db2.gz NWXJRIQXCKICHI-MRXNPFEDSA-N 1 1 373.457 2.460 20 5 FEBDMO CC(C)[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487104351 561363827 /nfs/dbraw/zinc/36/38/27/561363827.db2.gz ZURSMPJJYXOXSQ-QGZVFWFLSA-N 1 1 371.441 2.336 20 5 FEBDMO CC(C)[C@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487104351 561363828 /nfs/dbraw/zinc/36/38/28/561363828.db2.gz ZURSMPJJYXOXSQ-QGZVFWFLSA-N 1 1 371.441 2.336 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000487072510 561362928 /nfs/dbraw/zinc/36/29/28/561362928.db2.gz CQSCXHJIWZOUCF-HNNXBMFYSA-N 1 1 350.419 2.085 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000228099257 548753612 /nfs/dbraw/zinc/75/36/12/548753612.db2.gz ASHZNBBONXTNDQ-AWEZNQCLSA-N 1 1 356.220 2.315 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000228099257 548753615 /nfs/dbraw/zinc/75/36/15/548753615.db2.gz ASHZNBBONXTNDQ-AWEZNQCLSA-N 1 1 356.220 2.315 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245540776 548941782 /nfs/dbraw/zinc/94/17/82/548941782.db2.gz IOWWPAVPKHHNLP-HEHGZKQESA-N 1 1 365.430 2.413 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245603020 548955656 /nfs/dbraw/zinc/95/56/56/548955656.db2.gz WWVFVLGJCJAIDP-OLZOCXBDSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000245603020 548955659 /nfs/dbraw/zinc/95/56/59/548955659.db2.gz WWVFVLGJCJAIDP-OLZOCXBDSA-N 1 1 350.419 2.130 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000488046099 561382130 /nfs/dbraw/zinc/38/21/30/561382130.db2.gz UPQFNXUXXVBJGT-BBRMVZONSA-N 1 1 364.446 2.202 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000246046014 549041320 /nfs/dbraw/zinc/04/13/20/549041320.db2.gz BVRABYTUQSHBEA-HIFRSBDPSA-N 1 1 353.444 2.151 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000246114041 549055279 /nfs/dbraw/zinc/05/52/79/549055279.db2.gz ILAWRDCIHDWZDI-KBPBESRZSA-N 1 1 353.444 2.151 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C2CC2)c1 ZINC000246741636 549201045 /nfs/dbraw/zinc/20/10/45/549201045.db2.gz PDWUADNYYCOCRT-QZTJIDSGSA-N 1 1 350.415 2.116 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000246806119 549216817 /nfs/dbraw/zinc/21/68/17/549216817.db2.gz AJBXVDKDKQFQNF-CABCVRRESA-N 1 1 367.471 2.459 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000246824046 549221950 /nfs/dbraw/zinc/22/19/50/549221950.db2.gz BIBNLXLYNYYQCM-TZMCWYRMSA-N 1 1 355.460 2.172 20 5 FEBDMO CCOc1ccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000247122873 549287436 /nfs/dbraw/zinc/28/74/36/549287436.db2.gz YXVRROSAPCOSOB-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO CC[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[N@H+]1C[C@H](C)O ZINC000247275269 549309441 /nfs/dbraw/zinc/30/94/41/549309441.db2.gz YGWGDBSBYQSYPS-HOCLYGCPSA-N 1 1 363.458 2.437 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000247631890 549367041 /nfs/dbraw/zinc/36/70/41/549367041.db2.gz UVNYQATVNFVIEU-QWHZDKJVSA-N 1 1 371.441 2.064 20 5 FEBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000247698352 549373512 /nfs/dbraw/zinc/37/35/12/549373512.db2.gz XDUMSNRJFBRXRR-DGCLKSJQSA-N 1 1 353.448 2.173 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248035840 549401044 /nfs/dbraw/zinc/40/10/44/549401044.db2.gz RRAJWBLCTLMCBJ-GXTWGEPZSA-N 1 1 371.434 2.147 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248406107 549430313 /nfs/dbraw/zinc/43/03/13/549430313.db2.gz SBADKYXGSGFNMQ-UKRRQHHQSA-N 1 1 370.413 2.417 20 5 FEBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248478020 549448102 /nfs/dbraw/zinc/44/81/02/549448102.db2.gz ZAWBHXKGGXVMKS-HIFRSBDPSA-N 1 1 360.414 2.077 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H](O)CCc3ccccc3)C2)nc1 ZINC000248568703 549459666 /nfs/dbraw/zinc/45/96/66/549459666.db2.gz LNWSSGLSTMUDCD-SJLPKXTDSA-N 1 1 356.426 2.470 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCO[C@H]1C ZINC000489472066 561412346 /nfs/dbraw/zinc/41/23/46/561412346.db2.gz BVCZWGZEUTYOAJ-YOEHRIQHSA-N 1 1 365.430 2.358 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000248964933 549532371 /nfs/dbraw/zinc/53/23/71/549532371.db2.gz BOFLMXSIBVZFSL-RYUDHWBXSA-N 1 1 359.423 2.133 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000249093933 549550769 /nfs/dbraw/zinc/55/07/69/549550769.db2.gz OJVJNYMPFVQLQH-KGLIPLIRSA-N 1 1 355.460 2.135 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249265189 549574489 /nfs/dbraw/zinc/57/44/89/549574489.db2.gz ZMMPRVTWZMFKJW-TZMCWYRMSA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000249489563 549595811 /nfs/dbraw/zinc/59/58/11/549595811.db2.gz DVOJTIFYXPWXGX-KGLIPLIRSA-N 1 1 360.414 2.137 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491094350 561442859 /nfs/dbraw/zinc/44/28/59/561442859.db2.gz YNCXRHYQMWREJB-KRWDZBQOSA-N 1 1 350.438 2.336 20 5 FEBDMO COc1cc(C[NH2+]Cc2cc3ccccc3n(C)c2=O)c([N+](=O)[O-])cc1O ZINC000491458539 561445700 /nfs/dbraw/zinc/44/57/00/561445700.db2.gz MTMHPFRRBFJZOB-UHFFFAOYSA-N 1 1 369.377 2.451 20 5 FEBDMO CC(=O)N1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000268735548 550110654 /nfs/dbraw/zinc/11/06/54/550110654.db2.gz OJULBDRRWFSNDD-CYBMUJFWSA-N 1 1 358.398 2.345 20 5 FEBDMO CC(=O)N1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000268735548 550110658 /nfs/dbraw/zinc/11/06/58/550110658.db2.gz OJULBDRRWFSNDD-CYBMUJFWSA-N 1 1 358.398 2.345 20 5 FEBDMO CCOc1cc(CN2CC[N@@H+](CCC(=O)OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492583454 561451888 /nfs/dbraw/zinc/45/18/88/561451888.db2.gz OUUYMCAMKQPOID-CQSZACIVSA-N 1 1 365.430 2.063 20 5 FEBDMO Cc1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1[N+](=O)[O-] ZINC000493931208 561459543 /nfs/dbraw/zinc/45/95/43/561459543.db2.gz FAUVQWKBQGDPDN-UHFFFAOYSA-N 1 1 358.333 2.190 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000494005734 561460706 /nfs/dbraw/zinc/46/07/06/561460706.db2.gz CGQCXFHXIGIFNP-UKRRQHHQSA-N 1 1 357.414 2.204 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272386011 550442865 /nfs/dbraw/zinc/44/28/65/550442865.db2.gz IKOQXAYRNNRPQT-RISCZKNCSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272386011 550442867 /nfs/dbraw/zinc/44/28/67/550442867.db2.gz IKOQXAYRNNRPQT-RISCZKNCSA-N 1 1 373.862 2.271 20 5 FEBDMO CC[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000494390661 561468593 /nfs/dbraw/zinc/46/85/93/561468593.db2.gz HANDJRJGAMYTDP-UHFFFAOYSA-N 1 1 369.365 2.147 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000494390661 561468594 /nfs/dbraw/zinc/46/85/94/561468594.db2.gz HANDJRJGAMYTDP-UHFFFAOYSA-N 1 1 369.365 2.147 20 5 FEBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538937 550456521 /nfs/dbraw/zinc/45/65/21/550456521.db2.gz RONGCKMOZDWFHZ-OLZOCXBDSA-N 1 1 353.423 2.026 20 5 FEBDMO COc1ccc(NC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000272875412 550474966 /nfs/dbraw/zinc/47/49/66/550474966.db2.gz VSDZWEHDURBHDR-BETUJISGSA-N 1 1 366.418 2.224 20 5 FEBDMO C[C@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272926806 550477010 /nfs/dbraw/zinc/47/70/10/550477010.db2.gz KRTLSYURMHBFJC-HNNXBMFYSA-N 1 1 373.457 2.077 20 5 FEBDMO O=[N+]([O-])c1c(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)nc2sccn21 ZINC000273204797 550489706 /nfs/dbraw/zinc/48/97/06/550489706.db2.gz OPGBUGOKHKMQIC-AWEZNQCLSA-N 1 1 373.438 2.483 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000273291035 550493293 /nfs/dbraw/zinc/49/32/93/550493293.db2.gz FNTIDSWVEGFDGR-UHFFFAOYSA-N 1 1 368.455 2.261 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000273291035 550493295 /nfs/dbraw/zinc/49/32/95/550493295.db2.gz FNTIDSWVEGFDGR-UHFFFAOYSA-N 1 1 368.455 2.261 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277552131 550683721 /nfs/dbraw/zinc/68/37/21/550683721.db2.gz MPFYDQWJNKLVAM-HNNXBMFYSA-N 1 1 364.446 2.014 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278196195 550759520 /nfs/dbraw/zinc/75/95/20/550759520.db2.gz PIBAITMZUWMLIL-CYBMUJFWSA-N 1 1 360.418 2.145 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000278555885 550798692 /nfs/dbraw/zinc/79/86/92/550798692.db2.gz MBRDKTSFWLCVFE-OLZOCXBDSA-N 1 1 350.419 2.130 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000279244621 550869113 /nfs/dbraw/zinc/86/91/13/550869113.db2.gz QUSFNDQYOZCGCG-ZIAGYGMSSA-N 1 1 350.394 2.157 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(OC)C1 ZINC000279340894 550879559 /nfs/dbraw/zinc/87/95/59/550879559.db2.gz PQESDBANUJJEAW-PXAZEXFGSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(OC)C1 ZINC000279340894 550879560 /nfs/dbraw/zinc/87/95/60/550879560.db2.gz PQESDBANUJJEAW-PXAZEXFGSA-N 1 1 351.403 2.431 20 5 FEBDMO CCOc1cc(N2CC[NH+](Cc3cnn(C)c3C)CC2)ccc1[N+](=O)[O-] ZINC000279830929 550933794 /nfs/dbraw/zinc/93/37/94/550933794.db2.gz QFPZKKBJQKNBTF-UHFFFAOYSA-N 1 1 359.430 2.358 20 5 FEBDMO C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000279867114 550937535 /nfs/dbraw/zinc/93/75/35/550937535.db2.gz BYWRBUJHHKRXAM-QLFBSQMISA-N 1 1 364.446 2.406 20 5 FEBDMO C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000279867114 550937536 /nfs/dbraw/zinc/93/75/36/550937536.db2.gz BYWRBUJHHKRXAM-QLFBSQMISA-N 1 1 364.446 2.406 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000279978855 550948923 /nfs/dbraw/zinc/94/89/23/550948923.db2.gz ZHYXKIZLASXNHC-OLZOCXBDSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000279978855 550948925 /nfs/dbraw/zinc/94/89/25/550948925.db2.gz ZHYXKIZLASXNHC-OLZOCXBDSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280264675 550975257 /nfs/dbraw/zinc/97/52/57/550975257.db2.gz MCDHJXMZQVIHEQ-KUHUBIRLSA-N 1 1 372.425 2.375 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280264675 550975258 /nfs/dbraw/zinc/97/52/58/550975258.db2.gz MCDHJXMZQVIHEQ-KUHUBIRLSA-N 1 1 372.425 2.375 20 5 FEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc([N+](=O)[O-])cc1Br ZINC000280301780 550978410 /nfs/dbraw/zinc/97/84/10/550978410.db2.gz SADFYJRNQOUIHG-UHFFFAOYSA-N 1 1 354.204 2.349 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280355828 550984277 /nfs/dbraw/zinc/98/42/77/550984277.db2.gz IQCCWISXGGJESP-KBXCAEBGSA-N 1 1 363.414 2.112 20 5 FEBDMO CCc1nn(C)c(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000280618919 551013921 /nfs/dbraw/zinc/01/39/21/551013921.db2.gz YVYWTWCGHRDULI-IYBDPMFKSA-N 1 1 355.442 2.459 20 5 FEBDMO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000280630126 551015229 /nfs/dbraw/zinc/01/52/29/551015229.db2.gz XHNAUNJSRPOZHJ-KRWDZBQOSA-N 1 1 365.386 2.153 20 5 FEBDMO CO[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000280630126 551015230 /nfs/dbraw/zinc/01/52/30/551015230.db2.gz XHNAUNJSRPOZHJ-KRWDZBQOSA-N 1 1 365.386 2.153 20 5 FEBDMO COC(=O)c1cc(NC(=O)NCC[N@@H+]2CC=CCC2)c(C)c([N+](=O)[O-])c1 ZINC000281099989 551063357 /nfs/dbraw/zinc/06/33/57/551063357.db2.gz SGMKGVFUXTVGIO-UHFFFAOYSA-N 1 1 362.386 2.073 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1(C)C ZINC000281784088 551142940 /nfs/dbraw/zinc/14/29/40/551142940.db2.gz NIMUYLLEVFGECW-UHFFFAOYSA-N 1 1 360.414 2.097 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1(C)C ZINC000281861495 551149926 /nfs/dbraw/zinc/14/99/26/551149926.db2.gz VLYBSCWZXOJUEQ-UHFFFAOYSA-N 1 1 354.838 2.004 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1C ZINC000497542815 561503429 /nfs/dbraw/zinc/50/34/29/561503429.db2.gz RBGNSGBNCZJVMX-LBPRGKRZSA-N 1 1 355.460 2.222 20 5 FEBDMO COc1ccc(CSCC(=O)NCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000498182068 561517851 /nfs/dbraw/zinc/51/78/51/561517851.db2.gz KEVQWEBDXFDCPG-UHFFFAOYSA-N 1 1 364.427 2.158 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C[C@H]1C ZINC000498552938 561527930 /nfs/dbraw/zinc/52/79/30/561527930.db2.gz DGIFDMQJZGQNJY-OLZOCXBDSA-N 1 1 372.429 2.039 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H](C)[S@]1=O ZINC000285827796 551816174 /nfs/dbraw/zinc/81/61/74/551816174.db2.gz HCXHSKQHILWAAA-QQERXFAXSA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H](C)[S@]1=O ZINC000285827796 551816175 /nfs/dbraw/zinc/81/61/75/551816175.db2.gz HCXHSKQHILWAAA-QQERXFAXSA-N 1 1 367.471 2.463 20 5 FEBDMO CCOc1cc(C(=O)N2CCC[N@@H+](CC)CC2)c([N+](=O)[O-])cc1OC ZINC000499868512 561560333 /nfs/dbraw/zinc/56/03/33/561560333.db2.gz XVLYAIJYOYQPBE-UHFFFAOYSA-N 1 1 351.403 2.170 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000500155191 561566990 /nfs/dbraw/zinc/56/69/90/561566990.db2.gz JHMOEGSINZKQKH-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289468108 552326096 /nfs/dbraw/zinc/32/60/96/552326096.db2.gz WQUZAQKDGLDEHY-SFHVURJKSA-N 1 1 367.446 2.345 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000289809601 552382279 /nfs/dbraw/zinc/38/22/79/552382279.db2.gz NUODOKNVZNAFSK-AWEZNQCLSA-N 1 1 363.462 2.305 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000289893953 552395476 /nfs/dbraw/zinc/39/54/76/552395476.db2.gz TYLFVOZDGFLLBY-STQMWFEESA-N 1 1 350.419 2.076 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000290328632 552461010 /nfs/dbraw/zinc/46/10/10/552461010.db2.gz CJNATZRIRJMOPO-KRWDZBQOSA-N 1 1 363.393 2.300 20 5 FEBDMO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000500808012 561583043 /nfs/dbraw/zinc/58/30/43/561583043.db2.gz LIIZSAYAVYERBK-LSDHHAIUSA-N 1 1 369.487 2.320 20 5 FEBDMO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000500808004 561583066 /nfs/dbraw/zinc/58/30/66/561583066.db2.gz LIIZSAYAVYERBK-CABCVRRESA-N 1 1 369.487 2.320 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500842890 561584118 /nfs/dbraw/zinc/58/41/18/561584118.db2.gz LYZASFASCSNTQT-RHSMWYFYSA-N 1 1 371.441 2.442 20 5 FEBDMO NC(=O)c1ccnc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000290442462 552479550 /nfs/dbraw/zinc/47/95/50/552479550.db2.gz CCZWQPOHJZUZIY-CQSZACIVSA-N 1 1 355.398 2.165 20 5 FEBDMO COC(=O)CCC[NH+]1CCC(NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000291255060 552606869 /nfs/dbraw/zinc/60/68/69/552606869.db2.gz RSWPUNCQWKTHKZ-UHFFFAOYSA-N 1 1 365.430 2.111 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C2)C1 ZINC000292501655 552732765 /nfs/dbraw/zinc/73/27/65/552732765.db2.gz GZPBHDSCZINWPG-MRXNPFEDSA-N 1 1 355.341 2.364 20 5 FEBDMO CN(C(=O)C[N@H+](C)C[C@@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000293365367 552815765 /nfs/dbraw/zinc/81/57/65/552815765.db2.gz OPLICWYCPIOKDX-SFHVURJKSA-N 1 1 357.410 2.093 20 5 FEBDMO CN(C(=O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000293365367 552815767 /nfs/dbraw/zinc/81/57/67/552815767.db2.gz OPLICWYCPIOKDX-SFHVURJKSA-N 1 1 357.410 2.093 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293598523 552839117 /nfs/dbraw/zinc/83/91/17/552839117.db2.gz BPZGYAGSGCVDGR-GOSISDBHSA-N 1 1 356.382 2.016 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)C1 ZINC000293970321 552871930 /nfs/dbraw/zinc/87/19/30/552871930.db2.gz UOPQTYVKYIPJGL-IBGZPJMESA-N 1 1 358.442 2.363 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000294027487 552876545 /nfs/dbraw/zinc/87/65/45/552876545.db2.gz ZWTTWYYFRIPBKF-ZWKOTPCHSA-N 1 1 374.441 2.104 20 5 FEBDMO Cc1ccc(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000294221308 552888954 /nfs/dbraw/zinc/88/89/54/552888954.db2.gz NALJIIHZAGPUEB-UHFFFAOYSA-N 1 1 351.451 2.250 20 5 FEBDMO Cc1ccc(NC(=O)N(C)CCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000294221308 552888956 /nfs/dbraw/zinc/88/89/56/552888956.db2.gz NALJIIHZAGPUEB-UHFFFAOYSA-N 1 1 351.451 2.250 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000294908382 552943268 /nfs/dbraw/zinc/94/32/68/552943268.db2.gz SDUFAEHNIBBBEB-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2nc(CNCC[NH+]3CCC(O)CC3)cs2)c1 ZINC000294912894 552943536 /nfs/dbraw/zinc/94/35/36/552943536.db2.gz SMNJAMVFDHVJDH-UHFFFAOYSA-N 1 1 362.455 2.265 20 5 FEBDMO CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000294927199 552944762 /nfs/dbraw/zinc/94/47/62/552944762.db2.gz BHXZWITXYMBLOR-SNVBAGLBSA-N 1 1 370.258 2.319 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@](C)(F)C2)cc1SC ZINC000295209665 552970298 /nfs/dbraw/zinc/97/02/98/552970298.db2.gz LHLUCDINUPTXIH-HNNXBMFYSA-N 1 1 357.407 2.099 20 5 FEBDMO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+](C2CC2)C1 ZINC000295277398 552980547 /nfs/dbraw/zinc/98/05/47/552980547.db2.gz HLBOIZZRPZWXKY-GFCCVEGCSA-N 1 1 351.378 2.055 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295288027 552982054 /nfs/dbraw/zinc/98/20/54/552982054.db2.gz AEQIENSBDJMCAH-LBPRGKRZSA-N 1 1 355.822 2.133 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295575115 553027839 /nfs/dbraw/zinc/02/78/39/553027839.db2.gz VFBNDEZJNLJXHL-CYBMUJFWSA-N 1 1 365.430 2.415 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295575115 553027842 /nfs/dbraw/zinc/02/78/42/553027842.db2.gz VFBNDEZJNLJXHL-CYBMUJFWSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CSc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000502714103 561623880 /nfs/dbraw/zinc/62/38/80/561623880.db2.gz ZXTRZECHFLAWRL-LSDHHAIUSA-N 1 1 365.455 2.009 20 5 FEBDMO COC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296758719 553207837 /nfs/dbraw/zinc/20/78/37/553207837.db2.gz PDKWUUCXAVTOHG-SJCJKPOMSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296758719 553207838 /nfs/dbraw/zinc/20/78/38/553207838.db2.gz PDKWUUCXAVTOHG-SJCJKPOMSA-N 1 1 351.403 2.289 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000502901071 561629355 /nfs/dbraw/zinc/62/93/55/561629355.db2.gz CFBYQJBNWHMFJQ-ZDUSSCGKSA-N 1 1 370.475 2.309 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000297811422 553342011 /nfs/dbraw/zinc/34/20/11/553342011.db2.gz INXXSAQXVMUNKF-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[N@@H+]2CC=C(C)CC2)cc([N+](=O)[O-])c1 ZINC000503262456 561638279 /nfs/dbraw/zinc/63/82/79/561638279.db2.gz HDBYYFHPBAGOLA-UHFFFAOYSA-N 1 1 361.398 2.153 20 5 FEBDMO O=C(CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)Nc1ccccc1F ZINC000298109943 553385500 /nfs/dbraw/zinc/38/55/00/553385500.db2.gz OGPJXGMBUSRADP-UHFFFAOYSA-N 1 1 373.388 2.280 20 5 FEBDMO C[C@@]12CC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]1C2(F)F ZINC000298230413 553401201 /nfs/dbraw/zinc/40/12/01/553401201.db2.gz HIFMEORXMDJFNC-GOEBONIOSA-N 1 1 351.353 2.461 20 5 FEBDMO C[C@@]12CC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C[C@@H]1C2(F)F ZINC000298230413 553401202 /nfs/dbraw/zinc/40/12/02/553401202.db2.gz HIFMEORXMDJFNC-GOEBONIOSA-N 1 1 351.353 2.461 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1cccc(Br)c1 ZINC000298395731 553420275 /nfs/dbraw/zinc/42/02/75/553420275.db2.gz OMHSRZDSHICFOE-CQSZACIVSA-N 1 1 369.219 2.219 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)c1cccc(Br)c1 ZINC000298395721 553420294 /nfs/dbraw/zinc/42/02/94/553420294.db2.gz OMHSRZDSHICFOE-AWEZNQCLSA-N 1 1 369.219 2.219 20 5 FEBDMO CCOC1CC([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000298565503 553441557 /nfs/dbraw/zinc/44/15/57/553441557.db2.gz PUIZLMASNYAEHJ-UHFFFAOYSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[C@@H](C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)OC ZINC000298567075 553441872 /nfs/dbraw/zinc/44/18/72/553441872.db2.gz PZCVDZCZFXNMLO-GFCCVEGCSA-N 1 1 367.402 2.206 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000299192645 553528075 /nfs/dbraw/zinc/52/80/75/553528075.db2.gz DJOZJYVUAUKZRO-DOMZBBRYSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000301617528 553666179 /nfs/dbraw/zinc/66/61/79/553666179.db2.gz KMVAKUYMXUDAIE-GXTWGEPZSA-N 1 1 355.398 2.164 20 5 FEBDMO COc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301845025 553685380 /nfs/dbraw/zinc/68/53/80/553685380.db2.gz LYIVLEVLASJJIA-FKEKPDDDSA-N 1 1 360.458 2.351 20 5 FEBDMO COC1CC[NH+](CCNc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301907134 553690839 /nfs/dbraw/zinc/69/08/39/553690839.db2.gz ZPPTWXHHKXBICG-UHFFFAOYSA-N 1 1 359.224 2.275 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302009819 553697997 /nfs/dbraw/zinc/69/79/97/553697997.db2.gz VVGPJABDWCNNHL-ZFWWWQNUSA-N 1 1 367.413 2.355 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000302238765 553712978 /nfs/dbraw/zinc/71/29/78/553712978.db2.gz HEYREUYVFNQTQH-UHFFFAOYSA-N 1 1 352.464 2.132 20 5 FEBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000507141721 561719175 /nfs/dbraw/zinc/71/91/75/561719175.db2.gz IDBSPRQOQBOKMU-LYASGUKUSA-N 1 1 353.444 2.012 20 5 FEBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000507141721 561719177 /nfs/dbraw/zinc/71/91/77/561719177.db2.gz IDBSPRQOQBOKMU-LYASGUKUSA-N 1 1 353.444 2.012 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330429087 554120768 /nfs/dbraw/zinc/12/07/68/554120768.db2.gz ICPNKUJJGFFUKP-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO Cn1c2ccc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2oc1=O ZINC000508680510 561769486 /nfs/dbraw/zinc/76/94/86/561769486.db2.gz POXJUVUKSGWXCH-CYBMUJFWSA-N 1 1 369.381 2.121 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000331323771 554246811 /nfs/dbraw/zinc/24/68/11/554246811.db2.gz MPMLOSKBMIMAFF-PWSUYJOCSA-N 1 1 370.247 2.499 20 5 FEBDMO C[C@@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000332583780 554476569 /nfs/dbraw/zinc/47/65/69/554476569.db2.gz AUISYFIOZJGIBH-CQSZACIVSA-N 1 1 364.446 2.408 20 5 FEBDMO C[C@@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000332583780 554476571 /nfs/dbraw/zinc/47/65/71/554476571.db2.gz AUISYFIOZJGIBH-CQSZACIVSA-N 1 1 364.446 2.408 20 5 FEBDMO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361014344 554900121 /nfs/dbraw/zinc/90/01/21/554900121.db2.gz YROAZMJQZFRBIJ-YUELXQCFSA-N 1 1 371.397 2.263 20 5 FEBDMO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361014344 554900122 /nfs/dbraw/zinc/90/01/22/554900122.db2.gz YROAZMJQZFRBIJ-YUELXQCFSA-N 1 1 371.397 2.263 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000361110195 554904763 /nfs/dbraw/zinc/90/47/63/554904763.db2.gz VOVHROHWXDRCTD-IAQYHMDHSA-N 1 1 352.822 2.213 20 5 FEBDMO Cc1c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290415 554960932 /nfs/dbraw/zinc/96/09/32/554960932.db2.gz RODBERZZWFBKRK-SWLSCSKDSA-N 1 1 362.386 2.286 20 5 FEBDMO CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000362859941 554993609 /nfs/dbraw/zinc/99/36/09/554993609.db2.gz IVIZFFZWARVORY-MRXNPFEDSA-N 1 1 363.462 2.331 20 5 FEBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000363348311 555082996 /nfs/dbraw/zinc/08/29/96/555082996.db2.gz FCEFONYSNUVQAO-INIZCTEOSA-N 1 1 371.441 2.304 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424292 555102077 /nfs/dbraw/zinc/10/20/77/555102077.db2.gz QIXYMACANZTIAS-FHLIZLRMSA-N 1 1 361.442 2.143 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCCN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000363614632 555147911 /nfs/dbraw/zinc/14/79/11/555147911.db2.gz VJOJOIMOJLAFBV-ROUUACIJSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2CN2CCC[C@H]2CO)cc1 ZINC000363614632 555147912 /nfs/dbraw/zinc/14/79/12/555147912.db2.gz VJOJOIMOJLAFBV-ROUUACIJSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2CN2CCC[C@H]2CO)cc1 ZINC000363614632 555147914 /nfs/dbraw/zinc/14/79/14/555147914.db2.gz VJOJOIMOJLAFBV-ROUUACIJSA-N 1 1 363.458 2.285 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000363678571 555162236 /nfs/dbraw/zinc/16/22/36/555162236.db2.gz LPHXWZXTGNCZOI-UHFFFAOYSA-N 1 1 358.398 2.326 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000364070276 555244296 /nfs/dbraw/zinc/24/42/96/555244296.db2.gz LORNHIYAIITNSU-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000364201003 555268306 /nfs/dbraw/zinc/26/83/06/555268306.db2.gz MFVQWNLQCBZUGP-AWEZNQCLSA-N 1 1 369.425 2.309 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364871204 555420949 /nfs/dbraw/zinc/42/09/49/555420949.db2.gz JZFHOZLNJDCVCR-LSDHHAIUSA-N 1 1 369.368 2.056 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364871204 555420952 /nfs/dbraw/zinc/42/09/52/555420952.db2.gz JZFHOZLNJDCVCR-LSDHHAIUSA-N 1 1 369.368 2.056 20 5 FEBDMO O=C(C[N@@H+]1CC[C@H](COC(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512805615 561916170 /nfs/dbraw/zinc/91/61/70/561916170.db2.gz JMORBICGPSMAFV-NSHDSACASA-N 1 1 355.341 2.045 20 5 FEBDMO O=C(C[N@H+]1CC[C@H](COC(F)F)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512805615 561916171 /nfs/dbraw/zinc/91/61/71/561916171.db2.gz JMORBICGPSMAFV-NSHDSACASA-N 1 1 355.341 2.045 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@]2(CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000365149890 555495749 /nfs/dbraw/zinc/49/57/49/555495749.db2.gz HWIQPWLFGVHOEU-HXUWFJFHSA-N 1 1 369.421 2.263 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CC3CCC4(CC3)OCCO4)C2)c1 ZINC000365170580 555500960 /nfs/dbraw/zinc/50/09/60/555500960.db2.gz LJESDQBNDKFSAY-HNNXBMFYSA-N 1 1 350.419 2.362 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540002 555603198 /nfs/dbraw/zinc/60/31/98/555603198.db2.gz QIYLJPRKCHPRIH-JLSDUUJJSA-N 1 1 361.442 2.143 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365793159 555668837 /nfs/dbraw/zinc/66/88/37/555668837.db2.gz FGILMWHEXBJQBF-HZPDHXFCSA-N 1 1 362.386 2.478 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365793159 555668838 /nfs/dbraw/zinc/66/88/38/555668838.db2.gz FGILMWHEXBJQBF-HZPDHXFCSA-N 1 1 362.386 2.478 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000366777989 555931443 /nfs/dbraw/zinc/93/14/43/555931443.db2.gz BFYTXDNLJGZCLK-JLJPHGGASA-N 1 1 366.414 2.251 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000366777989 555931444 /nfs/dbraw/zinc/93/14/44/555931444.db2.gz BFYTXDNLJGZCLK-JLJPHGGASA-N 1 1 366.414 2.251 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(F)cc1 ZINC000366809893 555940140 /nfs/dbraw/zinc/94/01/40/555940140.db2.gz VNLNFLNRUIVQQY-WMLDXEAASA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(F)cc1 ZINC000366809893 555940144 /nfs/dbraw/zinc/94/01/44/555940144.db2.gz VNLNFLNRUIVQQY-WMLDXEAASA-N 1 1 358.373 2.491 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000514555695 561967259 /nfs/dbraw/zinc/96/72/59/561967259.db2.gz NLKVWKDAHZVULP-CHWSQXEVSA-N 1 1 362.430 2.221 20 5 FEBDMO CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367293283 556010135 /nfs/dbraw/zinc/01/01/35/556010135.db2.gz YPRHQCRBCGMWMS-INIZCTEOSA-N 1 1 350.438 2.334 20 5 FEBDMO Cc1c([C@@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000367332858 556020337 /nfs/dbraw/zinc/02/03/37/556020337.db2.gz JUVSWTURYIUUMT-QAPCUYQASA-N 1 1 360.414 2.214 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000367567774 556084863 /nfs/dbraw/zinc/08/48/63/556084863.db2.gz ZGQYUVXKHGJOJS-INIZCTEOSA-N 1 1 371.441 2.455 20 5 FEBDMO Cc1c(C[N@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000369068924 556496259 /nfs/dbraw/zinc/49/62/59/556496259.db2.gz YBYNKPCECZNJJB-UHFFFAOYSA-N 1 1 374.485 2.422 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000369092103 556503071 /nfs/dbraw/zinc/50/30/71/556503071.db2.gz MNVLXKOMJQAYFW-OAHLLOKOSA-N 1 1 361.358 2.172 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000369591363 556640949 /nfs/dbraw/zinc/64/09/49/556640949.db2.gz LGYHHCTVWAPPSO-CSMYWGQOSA-N 1 1 363.414 2.287 20 5 FEBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)cn1 ZINC000370008429 556756455 /nfs/dbraw/zinc/75/64/55/556756455.db2.gz LNDZPJGKGSLJDV-CYBMUJFWSA-N 1 1 358.398 2.259 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370013529 556757519 /nfs/dbraw/zinc/75/75/19/556757519.db2.gz WXAGRAZIQSYLIH-KGLIPLIRSA-N 1 1 357.414 2.220 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370013529 556757523 /nfs/dbraw/zinc/75/75/23/556757523.db2.gz WXAGRAZIQSYLIH-KGLIPLIRSA-N 1 1 357.414 2.220 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000370039111 556763957 /nfs/dbraw/zinc/76/39/57/556763957.db2.gz VUOFWBLEYHTMFI-SFHVURJKSA-N 1 1 362.474 2.205 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)c1 ZINC000370416467 556866508 /nfs/dbraw/zinc/86/65/08/556866508.db2.gz YOIISSYCIHDHML-UHFFFAOYSA-N 1 1 367.471 2.236 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000370915900 557014293 /nfs/dbraw/zinc/01/42/93/557014293.db2.gz DYMAQALNMXFMBG-RDTXWAMCSA-N 1 1 371.441 2.450 20 5 FEBDMO Cn1cc([C@H]2[C@H](CNC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000370924321 557017946 /nfs/dbraw/zinc/01/79/46/557017946.db2.gz RMOQEVBCKPICLQ-WMLDXEAASA-N 1 1 357.414 2.141 20 5 FEBDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000370927437 557019311 /nfs/dbraw/zinc/01/93/11/557019311.db2.gz IHZULUYRBLUJQJ-MAUKXSAKSA-N 1 1 371.441 2.450 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000371233245 557114411 /nfs/dbraw/zinc/11/44/11/557114411.db2.gz XKRSIZZAADFRPM-ZIAGYGMSSA-N 1 1 363.414 2.290 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000371285251 557131105 /nfs/dbraw/zinc/13/11/05/557131105.db2.gz ZBNWHJOUSAYGPC-QWHCGFSZSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000371285251 557131109 /nfs/dbraw/zinc/13/11/09/557131109.db2.gz ZBNWHJOUSAYGPC-QWHCGFSZSA-N 1 1 353.806 2.231 20 5 FEBDMO CC(C)N1CC[NH+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000371342238 557153120 /nfs/dbraw/zinc/15/31/20/557153120.db2.gz WGPMEKSVSZLDLU-UHFFFAOYSA-N 1 1 360.458 2.225 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]21 ZINC000371546758 557217242 /nfs/dbraw/zinc/21/72/42/557217242.db2.gz OCOFFPDQKZKLOO-KBXCAEBGSA-N 1 1 358.442 2.361 20 5 FEBDMO Cc1c([C@@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cnn1C ZINC000372318178 557438168 /nfs/dbraw/zinc/43/81/68/557438168.db2.gz FXUUUVVBMHNDCY-SFHVURJKSA-N 1 1 369.425 2.363 20 5 FEBDMO Cc1c([C@@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cnn1C ZINC000372318178 557438170 /nfs/dbraw/zinc/43/81/70/557438170.db2.gz FXUUUVVBMHNDCY-SFHVURJKSA-N 1 1 369.425 2.363 20 5 FEBDMO CNS(=O)(=O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000372399248 557460675 /nfs/dbraw/zinc/46/06/75/557460675.db2.gz GASCVLKUDMZMNP-UHFFFAOYSA-N 1 1 355.460 2.232 20 5 FEBDMO COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000372400347 557461497 /nfs/dbraw/zinc/46/14/97/557461497.db2.gz DDPACEVNVNYGKT-YJBOKZPZSA-N 1 1 370.409 2.421 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372423168 557466640 /nfs/dbraw/zinc/46/66/40/557466640.db2.gz VXVNGHJRSUFHLP-KXBFYZLASA-N 1 1 370.409 2.178 20 5 FEBDMO CC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607768 557519371 /nfs/dbraw/zinc/51/93/71/557519371.db2.gz VZINXZOJSFMUNX-QGZVFWFLSA-N 1 1 360.458 2.402 20 5 FEBDMO CNc1nc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520245226 562151698 /nfs/dbraw/zinc/15/16/98/562151698.db2.gz ADNQXKLGXARLKY-LJQANCHMSA-N 1 1 369.425 2.426 20 5 FEBDMO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582811 557722692 /nfs/dbraw/zinc/72/26/92/557722692.db2.gz IAILUYXCMQWSKS-WBVHZDCISA-N 1 1 360.414 2.177 20 5 FEBDMO C[C@H]1CCC[N@@H+](C(C)(C)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396979 562155328 /nfs/dbraw/zinc/15/53/28/562155328.db2.gz XJFKHGMTXKNTSR-DOTOQJQBSA-N 1 1 365.474 2.435 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396979 562155329 /nfs/dbraw/zinc/15/53/29/562155329.db2.gz XJFKHGMTXKNTSR-DOTOQJQBSA-N 1 1 365.474 2.435 20 5 FEBDMO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000373668634 557734871 /nfs/dbraw/zinc/73/48/71/557734871.db2.gz VCIHBCYZLMKKKZ-AWEZNQCLSA-N 1 1 357.414 2.399 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000373807242 557763924 /nfs/dbraw/zinc/76/39/24/557763924.db2.gz SEGIFVJAIDMGSL-FZKQIMNGSA-N 1 1 372.429 2.218 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000373807242 557763926 /nfs/dbraw/zinc/76/39/26/557763926.db2.gz SEGIFVJAIDMGSL-FZKQIMNGSA-N 1 1 372.429 2.218 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](CO)C1 ZINC000374042286 557812962 /nfs/dbraw/zinc/81/29/62/557812962.db2.gz KXVYNCUDMOZGHV-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCC[C@@H](CO)C1 ZINC000374042286 557812964 /nfs/dbraw/zinc/81/29/64/557812964.db2.gz KXVYNCUDMOZGHV-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000374266794 557855085 /nfs/dbraw/zinc/85/50/85/557855085.db2.gz ZSBUENJYBOANIG-IBGZPJMESA-N 1 1 371.441 2.279 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)c1 ZINC000374769545 557928275 /nfs/dbraw/zinc/92/82/75/557928275.db2.gz UWLJSYUEWUDKRV-CYBMUJFWSA-N 1 1 365.455 2.257 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CCCOC)CC2)c1 ZINC000374831095 557937527 /nfs/dbraw/zinc/93/75/27/557937527.db2.gz WMRQEHBVKKSORJ-UHFFFAOYSA-N 1 1 365.430 2.178 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375284463 558004195 /nfs/dbraw/zinc/00/41/95/558004195.db2.gz PGLFDNBHXYWSRB-FZKQIMNGSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375284463 558004196 /nfs/dbraw/zinc/00/41/96/558004196.db2.gz PGLFDNBHXYWSRB-FZKQIMNGSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1ncccc1O[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000375457544 558030499 /nfs/dbraw/zinc/03/04/99/558030499.db2.gz KGPVLIQQNGWAOW-OAHLLOKOSA-N 1 1 356.382 2.050 20 5 FEBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000375457544 558030500 /nfs/dbraw/zinc/03/05/00/558030500.db2.gz KGPVLIQQNGWAOW-OAHLLOKOSA-N 1 1 356.382 2.050 20 5 FEBDMO CCC(=O)c1ccc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000375654476 558063032 /nfs/dbraw/zinc/06/30/32/558063032.db2.gz JDANQSZDLANOSG-INIZCTEOSA-N 1 1 360.458 2.404 20 5 FEBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000375696267 558069128 /nfs/dbraw/zinc/06/91/28/558069128.db2.gz FUKKTBXNFBJVHK-UHFFFAOYSA-N 1 1 365.434 2.267 20 5 FEBDMO CC(C)N1CCN([C@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375907622 558098000 /nfs/dbraw/zinc/09/80/00/558098000.db2.gz YMOFLSOLHNUGEV-SFHVURJKSA-N 1 1 362.474 2.074 20 5 FEBDMO CC(C)N1CCN([C@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375907622 558098001 /nfs/dbraw/zinc/09/80/01/558098001.db2.gz YMOFLSOLHNUGEV-SFHVURJKSA-N 1 1 362.474 2.074 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000377168191 558280928 /nfs/dbraw/zinc/28/09/28/558280928.db2.gz JTJCGVYESSRDBF-XKQJLSEDSA-N 1 1 374.441 2.350 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000377560198 558364431 /nfs/dbraw/zinc/36/44/31/558364431.db2.gz AEVVXADFMDUALO-UHFFFAOYSA-N 1 1 363.805 2.381 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760041 558413835 /nfs/dbraw/zinc/41/38/35/558413835.db2.gz INGSVZKCBBMUJX-MSOLQXFVSA-N 1 1 355.442 2.245 20 5 FEBDMO C[N@@H+](CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000523253434 562210054 /nfs/dbraw/zinc/21/00/54/562210054.db2.gz HPMIMGXAOVKVBS-UHFFFAOYSA-N 1 1 351.451 2.297 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000378506813 558571980 /nfs/dbraw/zinc/57/19/80/558571980.db2.gz JNJIRFBLIHBLKG-IUODEOHRSA-N 1 1 353.444 2.120 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000378506813 558571982 /nfs/dbraw/zinc/57/19/82/558571982.db2.gz JNJIRFBLIHBLKG-IUODEOHRSA-N 1 1 353.444 2.120 20 5 FEBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182445 558654554 /nfs/dbraw/zinc/65/45/54/558654554.db2.gz KRVWHBQBBWHGCU-YOEHRIQHSA-N 1 1 358.442 2.043 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524869521 562236554 /nfs/dbraw/zinc/23/65/54/562236554.db2.gz LUQSIUPAOHSXPM-QWHCGFSZSA-N 1 1 371.459 2.097 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525086303 562240231 /nfs/dbraw/zinc/24/02/31/562240231.db2.gz HWPKIFOUCWTLOG-OKILXGFUSA-N 1 1 370.475 2.026 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000411553115 558916266 /nfs/dbraw/zinc/91/62/66/558916266.db2.gz ICLMYRBHQKDZOY-DXCKQFNASA-N 1 1 374.441 2.030 20 5 FEBDMO CCN1C[C@@H](C)[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000411721313 558950290 /nfs/dbraw/zinc/95/02/90/558950290.db2.gz OJTOTXIGEOGSDL-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411791339 558963784 /nfs/dbraw/zinc/96/37/84/558963784.db2.gz KVCVJPPMOJSBPG-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[C@@H]1CN(CC)CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411791339 558963785 /nfs/dbraw/zinc/96/37/85/558963785.db2.gz KVCVJPPMOJSBPG-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[C@@H]1CN(CC)CC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411791339 558963787 /nfs/dbraw/zinc/96/37/87/558963787.db2.gz KVCVJPPMOJSBPG-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000411957283 558994895 /nfs/dbraw/zinc/99/48/95/558994895.db2.gz WQCOCBZNBZNEOX-MSOLQXFVSA-N 1 1 367.405 2.292 20 5 FEBDMO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000411957283 558994898 /nfs/dbraw/zinc/99/48/98/558994898.db2.gz WQCOCBZNBZNEOX-MSOLQXFVSA-N 1 1 367.405 2.292 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1F ZINC000412121380 559015498 /nfs/dbraw/zinc/01/54/98/559015498.db2.gz FIOKNKOXXLNAJU-RYUDHWBXSA-N 1 1 353.394 2.226 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412178819 559018587 /nfs/dbraw/zinc/01/85/87/559018587.db2.gz UBMUUUOSTWIBDG-ZYSHUDEJSA-N 1 1 374.485 2.088 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)CCCn2cc[nH+]c2C)c1F ZINC000412198501 559019571 /nfs/dbraw/zinc/01/95/71/559019571.db2.gz FRWJXLHAYVKSJI-UHFFFAOYSA-N 1 1 364.377 2.339 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413449335 559108671 /nfs/dbraw/zinc/10/86/71/559108671.db2.gz XIRIBFIIILSGBI-RBUKOAKNSA-N 1 1 374.485 2.232 20 5 FEBDMO Cc1cc(NC(=O)NC2CCC([NH+]3CCNCC3)CC2)ccc1[N+](=O)[O-] ZINC000415419318 559233682 /nfs/dbraw/zinc/23/36/82/559233682.db2.gz QCMMSPUWHDISEK-UHFFFAOYSA-N 1 1 361.446 2.241 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416508357 559318624 /nfs/dbraw/zinc/31/86/24/559318624.db2.gz RCFNKLGQILGMMF-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323668 559480500 /nfs/dbraw/zinc/48/05/00/559480500.db2.gz GQAFXCFTOSLENP-HUUCEWRRSA-N 1 1 357.414 2.466 20 5 FEBDMO COC(=O)c1cc(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)c(C)c([N+](=O)[O-])c1 ZINC000421112525 559524612 /nfs/dbraw/zinc/52/46/12/559524612.db2.gz SZNKYNFKBJILQF-CYBMUJFWSA-N 1 1 364.402 2.248 20 5 FEBDMO COc1ccc(CSCC(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421701461 559549876 /nfs/dbraw/zinc/54/98/76/559549876.db2.gz HREVYWDWOHBTHV-CQSZACIVSA-N 1 1 367.471 2.389 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000425066852 559686234 /nfs/dbraw/zinc/68/62/34/559686234.db2.gz PZMDIMAUCTWIJU-GXFFZTMASA-N 1 1 355.341 2.362 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3cc[nH+]c(N4CCCCC4)n3)C2)nc1 ZINC000428160524 559770702 /nfs/dbraw/zinc/77/07/02/559770702.db2.gz CRJOONSXJYDBFP-CQSZACIVSA-N 1 1 369.429 2.461 20 5 FEBDMO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCNCC1 ZINC000431067444 559833365 /nfs/dbraw/zinc/83/33/65/559833365.db2.gz DXOMIZRANYIFHZ-UHFFFAOYSA-N 1 1 364.446 2.396 20 5 FEBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCNCC1 ZINC000431067444 559833366 /nfs/dbraw/zinc/83/33/66/559833366.db2.gz DXOMIZRANYIFHZ-UHFFFAOYSA-N 1 1 364.446 2.396 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000432459394 559859221 /nfs/dbraw/zinc/85/92/21/559859221.db2.gz JOHFIJLCQZKUSC-CYBMUJFWSA-N 1 1 370.409 2.122 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000432462394 559859331 /nfs/dbraw/zinc/85/93/31/559859331.db2.gz SKDPPKOHBKUPRN-ZBFHGGJFSA-N 1 1 370.409 2.265 20 5 FEBDMO COC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000432638772 559862246 /nfs/dbraw/zinc/86/22/46/559862246.db2.gz OZOVISYKMMNSIR-TUKIKUTGSA-N 1 1 362.386 2.489 20 5 FEBDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000433310973 559876735 /nfs/dbraw/zinc/87/67/35/559876735.db2.gz KECGKKRUMXSCGW-UHFFFAOYSA-N 1 1 368.397 2.103 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434752969 559908485 /nfs/dbraw/zinc/90/84/85/559908485.db2.gz ANMXOQZXSOICDQ-QGZVFWFLSA-N 1 1 367.471 2.074 20 5 FEBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000439479331 559995095 /nfs/dbraw/zinc/99/50/95/559995095.db2.gz TUECCOFLDIZTTK-SFHVURJKSA-N 1 1 366.414 2.395 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000440076011 560004322 /nfs/dbraw/zinc/00/43/22/560004322.db2.gz IXJYMCKQOQNJJS-OLZOCXBDSA-N 1 1 355.460 2.302 20 5 FEBDMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])s1 ZINC000440508885 560012961 /nfs/dbraw/zinc/01/29/61/560012961.db2.gz UQZBGNCRRFLYFG-KRWDZBQOSA-N 1 1 361.423 2.023 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000441201014 560026068 /nfs/dbraw/zinc/02/60/68/560026068.db2.gz DCJXMMFMINYOHJ-HDMKZQKVSA-N 1 1 359.426 2.449 20 5 FEBDMO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000443712545 560090846 /nfs/dbraw/zinc/09/08/46/560090846.db2.gz WNYAADWRRLHNCC-UONOGXRCSA-N 1 1 355.460 2.277 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000449673055 560236376 /nfs/dbraw/zinc/23/63/76/560236376.db2.gz NVYRVQRFKDUCLN-YMTOWFKASA-N 1 1 364.320 2.357 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000449673055 560236377 /nfs/dbraw/zinc/23/63/77/560236377.db2.gz NVYRVQRFKDUCLN-YMTOWFKASA-N 1 1 364.320 2.357 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)CC[C@H]21 ZINC000450146949 560252191 /nfs/dbraw/zinc/25/21/91/560252191.db2.gz MJONSJUMEMHXSJ-JKSUJKDBSA-N 1 1 369.425 2.337 20 5 FEBDMO COC(=O)C[N@@H+]1CCC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450542681 560265565 /nfs/dbraw/zinc/26/55/65/560265565.db2.gz WGFBQUJZONSYPT-CYBMUJFWSA-N 1 1 358.398 2.440 20 5 FEBDMO COC(=O)C[N@H+]1CCC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450542681 560265566 /nfs/dbraw/zinc/26/55/66/560265566.db2.gz WGFBQUJZONSYPT-CYBMUJFWSA-N 1 1 358.398 2.440 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@H]2C1 ZINC000450701338 560270840 /nfs/dbraw/zinc/27/08/40/560270840.db2.gz VZEANMHTGGSJNX-GUYCJALGSA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)[C@H]2C1 ZINC000450701338 560270841 /nfs/dbraw/zinc/27/08/41/560270841.db2.gz VZEANMHTGGSJNX-GUYCJALGSA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)[C@H]2C1 ZINC000450701338 560270842 /nfs/dbraw/zinc/27/08/42/560270842.db2.gz VZEANMHTGGSJNX-GUYCJALGSA-N 1 1 355.398 2.151 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000450830503 560275018 /nfs/dbraw/zinc/27/50/18/560275018.db2.gz ODBFCXJEWODWSX-HNNXBMFYSA-N 1 1 371.441 2.480 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000450830503 560275019 /nfs/dbraw/zinc/27/50/19/560275019.db2.gz ODBFCXJEWODWSX-HNNXBMFYSA-N 1 1 371.441 2.480 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451339745 560301185 /nfs/dbraw/zinc/30/11/85/560301185.db2.gz JSNXOHOXROWSQA-QXCFHYIPSA-N 1 1 364.442 2.350 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563099 560314963 /nfs/dbraw/zinc/31/49/63/560314963.db2.gz JORYWBQPOJIWHQ-BFQNTYOBSA-N 1 1 351.403 2.287 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563099 560314964 /nfs/dbraw/zinc/31/49/64/560314964.db2.gz JORYWBQPOJIWHQ-BFQNTYOBSA-N 1 1 351.403 2.287 20 5 FEBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000451992583 560343331 /nfs/dbraw/zinc/34/33/31/560343331.db2.gz UFCSRQSHRDJIBT-UHFFFAOYSA-N 1 1 350.463 2.109 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1C ZINC000452105275 560351431 /nfs/dbraw/zinc/35/14/31/560351431.db2.gz NOZCPTVNSNOQKA-CQSZACIVSA-N 1 1 355.460 2.315 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000452124180 560352898 /nfs/dbraw/zinc/35/28/98/560352898.db2.gz WAOSIAVAWWGHBS-OAHLLOKOSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CCN(C(C)C)C1 ZINC000452124180 560352899 /nfs/dbraw/zinc/35/28/99/560352899.db2.gz WAOSIAVAWWGHBS-OAHLLOKOSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C(C)C)C1 ZINC000452124180 560352900 /nfs/dbraw/zinc/35/29/00/560352900.db2.gz WAOSIAVAWWGHBS-OAHLLOKOSA-N 1 1 364.446 2.347 20 5 FEBDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000453994109 560420397 /nfs/dbraw/zinc/42/03/97/560420397.db2.gz JXANJUIHRULDMQ-CYBMUJFWSA-N 1 1 362.430 2.093 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@H+]1CCO ZINC000454203800 560434439 /nfs/dbraw/zinc/43/44/39/560434439.db2.gz CZMKTDVLGGKAFW-PHIMTYICSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@@H+]1CCO ZINC000454203800 560434440 /nfs/dbraw/zinc/43/44/40/560434440.db2.gz CZMKTDVLGGKAFW-PHIMTYICSA-N 1 1 356.810 2.167 20 5 FEBDMO CNc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454391189 560442669 /nfs/dbraw/zinc/44/26/69/560442669.db2.gz UVCFKGFBOJPERU-CQSZACIVSA-N 1 1 355.398 2.036 20 5 FEBDMO CNc1nc(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000456013781 560504538 /nfs/dbraw/zinc/50/45/38/560504538.db2.gz VWIWIXVGDKODJK-QWHCGFSZSA-N 1 1 361.446 2.414 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000456360500 560517200 /nfs/dbraw/zinc/51/72/00/560517200.db2.gz VJGDWZUURKNLAG-HNNXBMFYSA-N 1 1 357.414 2.337 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000456891298 560535905 /nfs/dbraw/zinc/53/59/05/560535905.db2.gz FBQQRBSJOPLPED-UHFFFAOYSA-N 1 1 373.457 2.222 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000457084634 560547821 /nfs/dbraw/zinc/54/78/21/560547821.db2.gz ZCZJTGLOZZFCMD-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000457089148 560548237 /nfs/dbraw/zinc/54/82/37/560548237.db2.gz KVENIADUYPJCBP-CQSZACIVSA-N 1 1 372.425 2.463 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464798138 560851527 /nfs/dbraw/zinc/85/15/27/560851527.db2.gz IBUCRJBWTUDQBS-KPZWWZAWSA-N 1 1 371.397 2.308 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464798138 560851528 /nfs/dbraw/zinc/85/15/28/560851528.db2.gz IBUCRJBWTUDQBS-KPZWWZAWSA-N 1 1 371.397 2.308 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000466819982 560896565 /nfs/dbraw/zinc/89/65/65/560896565.db2.gz VGXSBAAZCQKKKE-LRDDRELGSA-N 1 1 369.425 2.454 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000466819981 560896581 /nfs/dbraw/zinc/89/65/81/560896581.db2.gz VGXSBAAZCQKKKE-BLLLJJGKSA-N 1 1 369.425 2.454 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000467134511 560904447 /nfs/dbraw/zinc/90/44/47/560904447.db2.gz XJZSQEOYGGYPIS-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO O=C(NC[C@@H]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000469848368 560966328 /nfs/dbraw/zinc/96/63/28/560966328.db2.gz IZSGVUVLBMAMAK-VSLUYMRVSA-N 1 1 372.469 2.188 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N=c2cc[nH]c3cc[nH+]cc32)cc1C ZINC000471501530 561005774 /nfs/dbraw/zinc/00/57/74/561005774.db2.gz UKCODXNPDWOADP-UHFFFAOYSA-N 1 1 358.379 2.378 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000474821300 561083709 /nfs/dbraw/zinc/08/37/09/561083709.db2.gz JOIOXZFRVIJHEN-UHFFFAOYSA-N 1 1 373.457 2.222 20 5 FEBDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475112127 561090650 /nfs/dbraw/zinc/09/06/50/561090650.db2.gz DNHBOEONXADJJI-SFHVURJKSA-N 1 1 366.414 2.131 20 5 FEBDMO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000475568746 561100119 /nfs/dbraw/zinc/10/01/19/561100119.db2.gz FNEGPJQXVQFXPK-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475693079 561102387 /nfs/dbraw/zinc/10/23/87/561102387.db2.gz HZOIYPDYHKPREI-VXGBXAGGSA-N 1 1 354.428 2.472 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCS[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475693079 561102388 /nfs/dbraw/zinc/10/23/88/561102388.db2.gz HZOIYPDYHKPREI-VXGBXAGGSA-N 1 1 354.428 2.472 20 5 FEBDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475698144 561102586 /nfs/dbraw/zinc/10/25/86/561102586.db2.gz NMGDAMUWFXCSLY-CQSZACIVSA-N 1 1 352.387 2.005 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000476659861 561125496 /nfs/dbraw/zinc/12/54/96/561125496.db2.gz JHGCMLUYVLKMSI-MRXNPFEDSA-N 1 1 371.441 2.455 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000476659861 561125497 /nfs/dbraw/zinc/12/54/97/561125497.db2.gz JHGCMLUYVLKMSI-MRXNPFEDSA-N 1 1 371.441 2.455 20 5 FEBDMO COCCO[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000535578121 562561952 /nfs/dbraw/zinc/56/19/52/562561952.db2.gz AXIBSOMVDXHLHK-OAHLLOKOSA-N 1 1 354.403 2.110 20 5 FEBDMO C[N@@H+](CCc1cccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1)C1CC1 ZINC000537130125 562586157 /nfs/dbraw/zinc/58/61/57/562586157.db2.gz WUTQSYJKSMBARQ-UHFFFAOYSA-N 1 1 357.414 2.457 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000541114212 562603476 /nfs/dbraw/zinc/60/34/76/562603476.db2.gz KSCSPCPLJVWAJI-CQSZACIVSA-N 1 1 364.446 2.067 20 5 FEBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000546571442 562637816 /nfs/dbraw/zinc/63/78/16/562637816.db2.gz NGAWVDMDTNUVSU-KRWDZBQOSA-N 1 1 367.471 2.283 20 5 FEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000569828519 568427959 /nfs/dbraw/zinc/42/79/59/568427959.db2.gz NGBCRHRFPNGWDV-CQSZACIVSA-N 1 1 367.471 2.389 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000569828519 568427960 /nfs/dbraw/zinc/42/79/60/568427960.db2.gz NGBCRHRFPNGWDV-CQSZACIVSA-N 1 1 367.471 2.389 20 5 FEBDMO CC(C)C[N@@H+]1CCCC[C@H]1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676214 568494929 /nfs/dbraw/zinc/49/49/29/568494929.db2.gz LGWQJAZJIUEORF-DLBZAZTESA-N 1 1 365.474 2.435 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676214 568494931 /nfs/dbraw/zinc/49/49/31/568494931.db2.gz LGWQJAZJIUEORF-DLBZAZTESA-N 1 1 365.474 2.435 20 5 FEBDMO Cc1[nH+]ccn1[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000737498488 598339945 /nfs/dbraw/zinc/33/99/45/598339945.db2.gz GNEYFCZRUQQCFF-CYBMUJFWSA-N 1 1 354.374 2.121 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000557462510 674449705 /nfs/dbraw/zinc/44/97/05/674449705.db2.gz DDTYGOKKQHVIKU-NSHDSACASA-N 1 1 352.416 2.023 20 5 FEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823629594 607472140 /nfs/dbraw/zinc/47/21/40/607472140.db2.gz BEHORQWAKYRJBQ-HIFRSBDPSA-N 1 1 369.429 2.228 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1SC ZINC000559257652 674533826 /nfs/dbraw/zinc/53/38/26/674533826.db2.gz LJAFESFSLOKUIY-UHFFFAOYSA-N 1 1 353.444 2.492 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1SC ZINC000559257652 674533828 /nfs/dbraw/zinc/53/38/28/674533828.db2.gz LJAFESFSLOKUIY-UHFFFAOYSA-N 1 1 353.444 2.492 20 5 FEBDMO Cc1cc(NCC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000814839922 674883171 /nfs/dbraw/zinc/88/31/71/674883171.db2.gz BHOTVHQHFGCFPT-UHFFFAOYSA-N 1 1 360.336 2.108 20 5 FEBDMO CSc1nnc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])s1 ZINC000564873554 675070961 /nfs/dbraw/zinc/07/09/61/675070961.db2.gz PMDNSABCTYZCEP-UHFFFAOYSA-N 1 1 353.429 2.287 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000570321299 670695794 /nfs/dbraw/zinc/69/57/94/670695794.db2.gz DQUOIHJJBFCARI-GFCCVEGCSA-N 1 1 366.443 2.150 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108403785 670829613 /nfs/dbraw/zinc/82/96/13/670829613.db2.gz NHLJTAMMQYLNPQ-GFCCVEGCSA-N 1 1 359.835 2.011 20 5 FEBDMO CC(C)(C)[NH+]1CCC(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000572903583 671058030 /nfs/dbraw/zinc/05/80/30/671058030.db2.gz WFSNUPGIESHQIV-INIZCTEOSA-N 1 1 351.447 2.187 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000575215512 671305637 /nfs/dbraw/zinc/30/56/37/671305637.db2.gz QXFTYAKRLGASJR-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576580856 671379193 /nfs/dbraw/zinc/37/91/93/671379193.db2.gz KACTWEMMENLOTJ-ARFHVFGLSA-N 1 1 350.415 2.226 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C1CCCC1 ZINC000609199193 675913850 /nfs/dbraw/zinc/91/38/50/675913850.db2.gz KIIGDNJJTCHXPO-UHFFFAOYSA-N 1 1 355.460 2.310 20 5 FEBDMO CCOc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000578707657 671684066 /nfs/dbraw/zinc/68/40/66/671684066.db2.gz TYELMKURALBCDZ-LBPRGKRZSA-N 1 1 351.403 2.074 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000579493837 671740374 /nfs/dbraw/zinc/74/03/74/671740374.db2.gz URHZAKQEQVWIKN-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000579493837 671740375 /nfs/dbraw/zinc/74/03/75/671740375.db2.gz URHZAKQEQVWIKN-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)C1 ZINC000121745450 671956391 /nfs/dbraw/zinc/95/63/91/671956391.db2.gz SZDUESJOUUTTLR-LBPRGKRZSA-N 1 1 355.822 2.317 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000122375592 671965736 /nfs/dbraw/zinc/96/57/36/671965736.db2.gz LLSYWOGFOIUTEQ-BETUJISGSA-N 1 1 369.849 2.358 20 5 FEBDMO CCc1ccc(S(=O)(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000584526620 672196711 /nfs/dbraw/zinc/19/67/11/672196711.db2.gz APCYGGHASODBRZ-UHFFFAOYSA-N 1 1 355.460 2.310 20 5 FEBDMO C[C@]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000154614246 672219214 /nfs/dbraw/zinc/21/92/14/672219214.db2.gz LFTURXOPLNKRJP-DOTOQJQBSA-N 1 1 363.801 2.272 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000588910380 672493414 /nfs/dbraw/zinc/49/34/14/672493414.db2.gz MCWNAGXGRUFOTN-LBPRGKRZSA-N 1 1 359.448 2.002 20 5 FEBDMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)NC(=O)NC1=O ZINC000589189094 672512386 /nfs/dbraw/zinc/51/23/86/672512386.db2.gz ZQUYGIBUQOXLQQ-WBMJQRKESA-N 1 1 366.805 2.201 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045988 672556073 /nfs/dbraw/zinc/55/60/73/672556073.db2.gz ZJDCEWQOQCNUPU-TVQRCGJNSA-N 1 1 354.204 2.133 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066559 672871278 /nfs/dbraw/zinc/87/12/78/672871278.db2.gz NOYJIQAJPJWYMC-MLGOLLRUSA-N 1 1 364.833 2.467 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594475349 673081845 /nfs/dbraw/zinc/08/18/45/673081845.db2.gz QDSABAVGTLUZQX-UHFFFAOYSA-N 1 1 371.459 2.098 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594482992 673086479 /nfs/dbraw/zinc/08/64/79/673086479.db2.gz HAKLZGBSLIKRTR-NEPJUHHUSA-N 1 1 359.473 2.260 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594482992 673086483 /nfs/dbraw/zinc/08/64/83/673086483.db2.gz HAKLZGBSLIKRTR-NEPJUHHUSA-N 1 1 359.473 2.260 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594483532 673087004 /nfs/dbraw/zinc/08/70/04/673087004.db2.gz NCOHXUAZQXWTLM-ZBFHGGJFSA-N 1 1 353.444 2.031 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000594793916 673145286 /nfs/dbraw/zinc/14/52/86/673145286.db2.gz WKJTXPXFQYCRPT-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000594793916 673145290 /nfs/dbraw/zinc/14/52/90/673145290.db2.gz WKJTXPXFQYCRPT-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO NC(=O)CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000727158510 673158484 /nfs/dbraw/zinc/15/84/84/673158484.db2.gz SPVSUXXXPOYVKQ-NSHDSACASA-N 1 1 368.821 2.164 20 5 FEBDMO NC(=O)CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000727158510 673158488 /nfs/dbraw/zinc/15/84/88/673158488.db2.gz SPVSUXXXPOYVKQ-NSHDSACASA-N 1 1 368.821 2.164 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000595380732 673238335 /nfs/dbraw/zinc/23/83/35/673238335.db2.gz BSNJYKLIFHCNQN-UHFFFAOYSA-N 1 1 359.448 2.002 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595410440 673245648 /nfs/dbraw/zinc/24/56/48/673245648.db2.gz MELZHPCWRBZOAA-OAHLLOKOSA-N 1 1 367.471 2.304 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCN(c3cccc(F)c3F)CC2)n1 ZINC000595506207 673259320 /nfs/dbraw/zinc/25/93/20/673259320.db2.gz CJHFVEAIHGJGPZ-UHFFFAOYSA-N 1 1 351.357 2.282 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462579347 673265130 /nfs/dbraw/zinc/26/51/30/673265130.db2.gz VRCHWLDEYAFFNO-HNNXBMFYSA-N 1 1 367.471 2.446 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000730814289 673292141 /nfs/dbraw/zinc/29/21/41/673292141.db2.gz LNVVPZXMDCVLSC-TXEJJXNPSA-N 1 1 359.423 2.275 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+](C)C(C)C ZINC000596110434 673359698 /nfs/dbraw/zinc/35/96/98/673359698.db2.gz OGFUOSCSEURDSX-UHFFFAOYSA-N 1 1 358.464 2.035 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596122870 673361026 /nfs/dbraw/zinc/36/10/26/673361026.db2.gz PYKUPVQXDZQONO-ZDUSSCGKSA-N 1 1 353.854 2.250 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000596145991 673363012 /nfs/dbraw/zinc/36/30/12/673363012.db2.gz JLPIZVJGQWXTKR-CHWSQXEVSA-N 1 1 370.475 2.178 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000541378848 673551729 /nfs/dbraw/zinc/55/17/29/673551729.db2.gz SBRIHWYODRBTST-GFCCVEGCSA-N 1 1 364.370 2.253 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000598610197 673590223 /nfs/dbraw/zinc/59/02/23/673590223.db2.gz FZHPDDZXMAMXIM-QGZVFWFLSA-N 1 1 367.471 2.318 20 5 FEBDMO COc1cc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000543062811 673623298 /nfs/dbraw/zinc/62/32/98/673623298.db2.gz KFMATMPLWIZWOJ-NSHDSACASA-N 1 1 365.411 2.102 20 5 FEBDMO C[NH+]1CCN(CC2CN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000599109332 673634055 /nfs/dbraw/zinc/63/40/55/673634055.db2.gz UMFVBEUSVIXXTO-UHFFFAOYSA-N 1 1 369.263 2.041 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000614222640 676165661 /nfs/dbraw/zinc/16/56/61/676165661.db2.gz QPBKSJLZIBDBHW-MRXNPFEDSA-N 1 1 350.415 2.227 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599414947 673672682 /nfs/dbraw/zinc/67/26/82/673672682.db2.gz KSUANNAFPVYUFR-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000599416735 673673133 /nfs/dbraw/zinc/67/31/33/673673133.db2.gz XOWRRHXDIPHXQS-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622535 673698492 /nfs/dbraw/zinc/69/84/92/673698492.db2.gz FYFSZXMSXHAARA-HDICACEKSA-N 1 1 352.431 2.195 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000599622535 673698495 /nfs/dbraw/zinc/69/84/95/673698495.db2.gz FYFSZXMSXHAARA-HDICACEKSA-N 1 1 352.431 2.195 20 5 FEBDMO COc1cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c([N+](=O)[O-])cc1F ZINC000599682760 673705935 /nfs/dbraw/zinc/70/59/35/673705935.db2.gz KTYMZJSSLNFSHO-RISCZKNCSA-N 1 1 352.322 2.054 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000600311021 673757640 /nfs/dbraw/zinc/75/76/40/673757640.db2.gz NPUAXYVDEZKXPI-LBPRGKRZSA-N 1 1 351.403 2.074 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000601145273 673828703 /nfs/dbraw/zinc/82/87/03/673828703.db2.gz UXPWODGZXKJPFC-CYBMUJFWSA-N 1 1 359.308 2.478 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])s1 ZINC000601422267 673860066 /nfs/dbraw/zinc/86/00/66/673860066.db2.gz RVZRAFNANIALDG-CQSZACIVSA-N 1 1 359.473 2.071 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000746053461 673862314 /nfs/dbraw/zinc/86/23/14/673862314.db2.gz LDBRYYBLEKOVGF-CYBMUJFWSA-N 1 1 371.434 2.086 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000746715679 673891079 /nfs/dbraw/zinc/89/10/79/673891079.db2.gz XMOBCICLDOEVQV-JTQLQIEISA-N 1 1 352.347 2.186 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](CCc2cnccn2)CC1 ZINC000602998632 673915251 /nfs/dbraw/zinc/91/52/51/673915251.db2.gz DYHRZJRLACARGC-UHFFFAOYSA-N 1 1 361.833 2.399 20 5 FEBDMO CC(C)OCC[NH+]1CCC(NC[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819128718 675263326 /nfs/dbraw/zinc/26/33/26/675263326.db2.gz QXUXURLULFNZQH-SFHVURJKSA-N 1 1 351.447 2.107 20 5 FEBDMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000567252862 675278977 /nfs/dbraw/zinc/27/89/77/675278977.db2.gz RAQPAQXYNKRLJA-LBPRGKRZSA-N 1 1 350.419 2.082 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(F)c([N+](=O)[O-])cc2F)CC1 ZINC000819635866 675306465 /nfs/dbraw/zinc/30/64/65/675306465.db2.gz KNAUPXVMUHGPMK-UHFFFAOYSA-N 1 1 357.357 2.056 20 5 FEBDMO C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000822931081 675517020 /nfs/dbraw/zinc/51/70/20/675517020.db2.gz KAHDUAYQDCABBR-OLZOCXBDSA-N 1 1 369.849 2.094 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000823310990 675544093 /nfs/dbraw/zinc/54/40/93/675544093.db2.gz VTJDQXGFHWLOIY-SNVBAGLBSA-N 1 1 354.794 2.031 20 5 FEBDMO O=C(N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC[C@@H]2C1)C(F)(F)F ZINC000824827120 675623730 /nfs/dbraw/zinc/62/37/30/675623730.db2.gz ANLSGRSDCUVKPI-OLZOCXBDSA-N 1 1 357.332 2.437 20 5 FEBDMO COC[C@]1(CO)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825158752 675639243 /nfs/dbraw/zinc/63/92/43/675639243.db2.gz YEOGJKPOUNTVBA-CQSZACIVSA-N 1 1 359.220 2.188 20 5 FEBDMO COC[C@]1(CO)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825158752 675639245 /nfs/dbraw/zinc/63/92/45/675639245.db2.gz YEOGJKPOUNTVBA-CQSZACIVSA-N 1 1 359.220 2.188 20 5 FEBDMO C[NH+](C)CCN(c1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1CCCC1 ZINC000828090487 675797345 /nfs/dbraw/zinc/79/73/45/675797345.db2.gz CFZWYHFNEHHDMV-UHFFFAOYSA-N 1 1 355.460 2.309 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000618455672 676340345 /nfs/dbraw/zinc/34/03/45/676340345.db2.gz CTQXRVJOTDAYHU-CYBMUJFWSA-N 1 1 355.822 2.397 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000619474055 676378941 /nfs/dbraw/zinc/37/89/41/676378941.db2.gz UOVYLBXRNDQPIT-ZDUSSCGKSA-N 1 1 371.459 2.146 20 5 FEBDMO COc1cccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1F ZINC000619715502 676392020 /nfs/dbraw/zinc/39/20/20/676392020.db2.gz ZGMNXUORBGCJRZ-UHFFFAOYSA-N 1 1 368.386 2.306 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830452066 677040538 /nfs/dbraw/zinc/04/05/38/677040538.db2.gz XGFVQBVHSZPHEB-WFASDCNBSA-N 1 1 353.419 2.473 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838911982 680727205 /nfs/dbraw/zinc/72/72/05/680727205.db2.gz FPDXOXCJYADKIP-OKILXGFUSA-N 1 1 352.412 2.093 20 5 FEBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C(C)C ZINC000839484880 680755663 /nfs/dbraw/zinc/75/56/63/680755663.db2.gz NYIFPBKTVAIQDG-UHFFFAOYSA-N 1 1 356.810 2.033 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000839529042 680759591 /nfs/dbraw/zinc/75/95/91/680759591.db2.gz UUOBORCWPWVUCK-QWRGUYRKSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000839529042 680759592 /nfs/dbraw/zinc/75/95/92/680759592.db2.gz UUOBORCWPWVUCK-QWRGUYRKSA-N 1 1 368.821 2.128 20 5 FEBDMO O=C1C[C@@]2(CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)CN1 ZINC000839590935 680764513 /nfs/dbraw/zinc/76/45/13/680764513.db2.gz UXRFAUZGJBPDSW-AWEZNQCLSA-N 1 1 354.204 2.069 20 5 FEBDMO O=C1C[C@@]2(CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C2)CN1 ZINC000839590935 680764516 /nfs/dbraw/zinc/76/45/16/680764516.db2.gz UXRFAUZGJBPDSW-AWEZNQCLSA-N 1 1 354.204 2.069 20 5 FEBDMO CC[NH+](CC)CCO[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071735 680099268 /nfs/dbraw/zinc/09/92/68/680099268.db2.gz LCTOLWDCQKFBIY-ROUUACIJSA-N 1 1 351.447 2.061 20 5 FEBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832285725 680120054 /nfs/dbraw/zinc/12/00/54/680120054.db2.gz WOZQMLUQWYZHNO-WFASDCNBSA-N 1 1 361.364 2.444 20 5 FEBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832285725 680120055 /nfs/dbraw/zinc/12/00/55/680120055.db2.gz WOZQMLUQWYZHNO-WFASDCNBSA-N 1 1 361.364 2.444 20 5 FEBDMO CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000752093495 680223891 /nfs/dbraw/zinc/22/38/91/680223891.db2.gz JIJQCIIXYKXTOI-UHFFFAOYSA-N 1 1 355.822 2.365 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000752234499 680231148 /nfs/dbraw/zinc/23/11/48/680231148.db2.gz IJLISLBOKIKLHE-QWHCGFSZSA-N 1 1 373.862 2.462 20 5 FEBDMO O=C(N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000834594144 680245388 /nfs/dbraw/zinc/24/53/88/680245388.db2.gz SVLKMPNIDJUYDL-KBPBESRZSA-N 1 1 357.332 2.331 20 5 FEBDMO Cc1cc(N2CCC[C@@H](OC(=O)CCC(C)(C)[N+](=O)[O-])C2)nc(C)[nH+]1 ZINC000835147976 680300860 /nfs/dbraw/zinc/30/08/60/680300860.db2.gz MZVVOJNEOBMNJY-CQSZACIVSA-N 1 1 350.419 2.441 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC000996428380 680332427 /nfs/dbraw/zinc/33/24/27/680332427.db2.gz ACNFUPLPLYRHQQ-HUUCEWRRSA-N 1 1 353.369 2.370 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000997771960 680365570 /nfs/dbraw/zinc/36/55/70/680365570.db2.gz JXENCKMVKSXTBT-UKRRQHHQSA-N 1 1 369.824 2.473 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](Cc2ccns2)CC2CC2)CC1 ZINC001039485809 680463738 /nfs/dbraw/zinc/46/37/38/680463738.db2.gz QNTRBVYGRUFHKC-HZPDHXFCSA-N 1 1 364.471 2.011 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](Cc2ccns2)CC2CC2)CC1 ZINC001039485809 680463741 /nfs/dbraw/zinc/46/37/41/680463741.db2.gz QNTRBVYGRUFHKC-HZPDHXFCSA-N 1 1 364.471 2.011 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](Cc2ccns2)CC2CC2)CC1 ZINC001039485809 680463746 /nfs/dbraw/zinc/46/37/46/680463746.db2.gz QNTRBVYGRUFHKC-HZPDHXFCSA-N 1 1 364.471 2.011 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000836711790 680502478 /nfs/dbraw/zinc/50/24/78/680502478.db2.gz XQFNDSXQIFWMKB-LLVKDONJSA-N 1 1 355.822 2.255 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+](C)CCN(C)C)cc1Cl ZINC000836789470 680514230 /nfs/dbraw/zinc/51/42/30/680514230.db2.gz NGHBPZGHMAAMSH-UHFFFAOYSA-N 1 1 356.854 2.170 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCCCN(C)CC[NH+](C)C)cc1Cl ZINC000836789470 680514232 /nfs/dbraw/zinc/51/42/32/680514232.db2.gz NGHBPZGHMAAMSH-UHFFFAOYSA-N 1 1 356.854 2.170 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1Cl ZINC000836791792 680514509 /nfs/dbraw/zinc/51/45/09/680514509.db2.gz ZDZVCZUDJRQGAV-GFCCVEGCSA-N 1 1 355.822 2.133 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000767637685 680919893 /nfs/dbraw/zinc/91/98/93/680919893.db2.gz MPVLXZZCYZSCBU-UHFFFAOYSA-N 1 1 373.450 2.443 20 5 FEBDMO Cc1ccc(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000768531386 680949468 /nfs/dbraw/zinc/94/94/68/680949468.db2.gz DMFMGTYGOKSVMS-UHFFFAOYSA-N 1 1 353.419 2.222 20 5 FEBDMO Cc1ccc(C[N@@H+](CCO)CCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000768531386 680949470 /nfs/dbraw/zinc/94/94/70/680949470.db2.gz DMFMGTYGOKSVMS-UHFFFAOYSA-N 1 1 353.419 2.222 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(OCCO)CC1 ZINC000769537008 680986221 /nfs/dbraw/zinc/98/62/21/680986221.db2.gz GJAYKKNGGJOXAR-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000771140343 681043581 /nfs/dbraw/zinc/04/35/81/681043581.db2.gz LGGKVTIDDVEKQN-GFCCVEGCSA-N 1 1 369.853 2.396 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000771663298 681065494 /nfs/dbraw/zinc/06/54/94/681065494.db2.gz LIYWDWVFUUBYNM-UHFFFAOYSA-N 1 1 368.865 2.394 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000933278133 681385649 /nfs/dbraw/zinc/38/56/49/681385649.db2.gz LTSXJWFURIVPGC-GFCCVEGCSA-N 1 1 353.444 2.015 20 5 FEBDMO CS(=O)(=O)C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605218 681415147 /nfs/dbraw/zinc/41/51/47/681415147.db2.gz JNUQQFXWIJQGGC-DLBZAZTESA-N 1 1 364.423 2.004 20 5 FEBDMO C[N@H+](CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCSC1 ZINC000778788904 681650183 /nfs/dbraw/zinc/65/01/83/681650183.db2.gz WEZWGDLMQXAAMO-HZPDHXFCSA-N 1 1 365.455 2.154 20 5 FEBDMO C[N@@H+](CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCSC1 ZINC000778788904 681650185 /nfs/dbraw/zinc/65/01/85/681650185.db2.gz WEZWGDLMQXAAMO-HZPDHXFCSA-N 1 1 365.455 2.154 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782525093 682053793 /nfs/dbraw/zinc/05/37/93/682053793.db2.gz VFDKJYNVODCEEZ-OLZOCXBDSA-N 1 1 352.410 2.477 20 5 FEBDMO CCN1C[C@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782525093 682053800 /nfs/dbraw/zinc/05/38/00/682053800.db2.gz VFDKJYNVODCEEZ-OLZOCXBDSA-N 1 1 352.410 2.477 20 5 FEBDMO CCN1C[C@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782525093 682053808 /nfs/dbraw/zinc/05/38/08/682053808.db2.gz VFDKJYNVODCEEZ-OLZOCXBDSA-N 1 1 352.410 2.477 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000851894619 682180124 /nfs/dbraw/zinc/18/01/24/682180124.db2.gz MTSSKUNEBDNCCK-GFCCVEGCSA-N 1 1 359.473 2.057 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000784437299 682226768 /nfs/dbraw/zinc/22/67/68/682226768.db2.gz IHZVQRHNEVYQES-GFCCVEGCSA-N 1 1 368.821 2.434 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000784965724 682264142 /nfs/dbraw/zinc/26/41/42/682264142.db2.gz MMNVPMMGACFUBL-MNOVXSKESA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000784965724 682264143 /nfs/dbraw/zinc/26/41/43/682264143.db2.gz MMNVPMMGACFUBL-MNOVXSKESA-N 1 1 368.821 2.128 20 5 FEBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000785730709 682321062 /nfs/dbraw/zinc/32/10/62/682321062.db2.gz NSWJZRPYOQPUHR-QWRGUYRKSA-N 1 1 353.350 2.088 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000918744504 685541860 /nfs/dbraw/zinc/54/18/60/685541860.db2.gz IUEJKMRQQHPTHP-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO CC(C)[C@H](C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000787965391 682493866 /nfs/dbraw/zinc/49/38/66/682493866.db2.gz GEIXMOCDFPBDCI-CQSZACIVSA-N 1 1 357.794 2.316 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855285965 682653787 /nfs/dbraw/zinc/65/37/87/682653787.db2.gz KELRATMXENPLJK-GFCCVEGCSA-N 1 1 350.375 2.414 20 5 FEBDMO O=[N+]([O-])c1c(Br)cccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856772339 682808861 /nfs/dbraw/zinc/80/88/61/682808861.db2.gz WTMUZCUYEBTHDK-GFCCVEGCSA-N 1 1 370.247 2.393 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@H](C)c2ccns2)cc1[N+](=O)[O-] ZINC000858317332 682956483 /nfs/dbraw/zinc/95/64/83/682956483.db2.gz WQLMSPMXIPESOL-SNVBAGLBSA-N 1 1 351.384 2.454 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000859276765 683071154 /nfs/dbraw/zinc/07/11/54/683071154.db2.gz OATKAFJMWOOTCD-CYBMUJFWSA-N 1 1 371.434 2.419 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000859337704 683086749 /nfs/dbraw/zinc/08/67/49/683086749.db2.gz NVTHNTZHYNOQGX-LBPRGKRZSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000859337704 683086752 /nfs/dbraw/zinc/08/67/52/683086752.db2.gz NVTHNTZHYNOQGX-LBPRGKRZSA-N 1 1 366.849 2.147 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000861036369 683335256 /nfs/dbraw/zinc/33/52/56/683335256.db2.gz LYRQWCPUXDMHDR-AWEZNQCLSA-N 1 1 352.387 2.179 20 5 FEBDMO CCOc1ccc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000861341333 683391495 /nfs/dbraw/zinc/39/14/95/683391495.db2.gz PLVQEIQNWUMQNA-SUMWQHHRSA-N 1 1 352.387 2.260 20 5 FEBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861713518 683459635 /nfs/dbraw/zinc/45/96/35/683459635.db2.gz DBFXWKFYAVMWHH-GHMZBOCLSA-N 1 1 374.224 2.183 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929216502 683564092 /nfs/dbraw/zinc/56/40/92/683564092.db2.gz BYSAIJUGIGGIDC-HUUCEWRRSA-N 1 1 368.821 2.311 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000863033906 683668265 /nfs/dbraw/zinc/66/82/65/683668265.db2.gz YPXFPABFKKGSJW-LBPRGKRZSA-N 1 1 361.427 2.346 20 5 FEBDMO Cc1c(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cccc1[N+](=O)[O-] ZINC000922168240 683672807 /nfs/dbraw/zinc/67/28/07/683672807.db2.gz MPRNCZMJSLXGFD-ZBFHGGJFSA-N 1 1 364.471 2.282 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000866863670 684170053 /nfs/dbraw/zinc/17/00/53/684170053.db2.gz RWQRKONUMXBTIT-OCCSQVGLSA-N 1 1 373.450 2.393 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000931988019 684383536 /nfs/dbraw/zinc/38/35/36/684383536.db2.gz IJIAXCPKORBCGH-CYBMUJFWSA-N 1 1 369.849 2.408 20 5 FEBDMO C[C@]([NH3+])(C(=O)N1CCN(c2cccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867941532 684430250 /nfs/dbraw/zinc/43/02/50/684430250.db2.gz HJPBUQMLXCCYDW-QGZVFWFLSA-N 1 1 360.439 2.179 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000868519619 684505114 /nfs/dbraw/zinc/50/51/14/684505114.db2.gz CYEONUUGRNQLHB-SMDDNHRTSA-N 1 1 368.231 2.062 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000925763245 684583553 /nfs/dbraw/zinc/58/35/53/684583553.db2.gz RDNDAVUQAMZWTF-HUUCEWRRSA-N 1 1 370.247 2.214 20 5 FEBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000872666094 685001164 /nfs/dbraw/zinc/00/11/64/685001164.db2.gz SDIWDSMRWRBMFR-NEPJUHHUSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000872666094 685001166 /nfs/dbraw/zinc/00/11/66/685001166.db2.gz SDIWDSMRWRBMFR-NEPJUHHUSA-N 1 1 359.835 2.105 20 5 FEBDMO C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000876979796 686304296 /nfs/dbraw/zinc/30/42/96/686304296.db2.gz AIBIJZQNPUGCCI-UHNFBRDESA-N 1 1 357.357 2.040 20 5 FEBDMO Cn1cc(C[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])n1 ZINC000877609538 686421955 /nfs/dbraw/zinc/42/19/55/686421955.db2.gz BWICYUMBGYOMRF-MRXNPFEDSA-N 1 1 350.806 2.465 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c([N+](=O)[O-])n1 ZINC000877609538 686421958 /nfs/dbraw/zinc/42/19/58/686421958.db2.gz BWICYUMBGYOMRF-MRXNPFEDSA-N 1 1 350.806 2.465 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000881958193 687270082 /nfs/dbraw/zinc/27/00/82/687270082.db2.gz DPHVRKJIULHEKD-NEPJUHHUSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884956018 687974318 /nfs/dbraw/zinc/97/43/18/687974318.db2.gz XPNJHFXWSJKMSO-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000885455189 688077037 /nfs/dbraw/zinc/07/70/37/688077037.db2.gz HUBKTRSMKMONJC-HIFRSBDPSA-N 1 1 353.444 2.151 20 5 FEBDMO CCOc1cc(N2CC[NH+](C[C@@](C)(O)C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000886181604 688211264 /nfs/dbraw/zinc/21/12/64/688211264.db2.gz PHTVQIFYNLEPGI-MRXNPFEDSA-N 1 1 359.373 2.132 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886564555 688276160 /nfs/dbraw/zinc/27/61/60/688276160.db2.gz ZYIJWGIQXVZQGV-TXEJJXNPSA-N 1 1 351.428 2.227 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1OC(F)F ZINC000897221837 689990797 /nfs/dbraw/zinc/99/07/97/689990797.db2.gz PATTZPAJRRRPOC-OLZOCXBDSA-N 1 1 357.357 2.232 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1OC(F)F ZINC000897221839 689990803 /nfs/dbraw/zinc/99/08/03/689990803.db2.gz PATTZPAJRRRPOC-STQMWFEESA-N 1 1 357.357 2.232 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C2)C1 ZINC000908421119 691676899 /nfs/dbraw/zinc/67/68/99/691676899.db2.gz AQVJOZJSGMLAMH-MRXNPFEDSA-N 1 1 352.822 2.388 20 5 FEBDMO COc1nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164781709 721398545 /nfs/dbraw/zinc/39/85/45/721398545.db2.gz CWCBUBIGTRUKIE-RYUDHWBXSA-N 1 1 361.427 2.023 20 5 FEBDMO Cc1nc(Cl)nc(N2CC[NH+](CCc3ccccn3)CC2)c1[N+](=O)[O-] ZINC001165054564 722008429 /nfs/dbraw/zinc/00/84/29/722008429.db2.gz RCHOOFJLLHKVOJ-UHFFFAOYSA-N 1 1 362.821 2.106 20 5 FEBDMO Cc1ccc(NCCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)[nH+]c1 ZINC000531491290 830765978 /nfs/dbraw/zinc/76/59/78/830765978.db2.gz XMAZDHMPRYDMRG-UHFFFAOYSA-N 1 1 358.354 2.259 20 5 FEBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000473510047 887208096 /nfs/dbraw/zinc/20/80/96/887208096.db2.gz FCHDQFOQBUSTBI-INIZCTEOSA-N 1 1 371.441 2.498 20 5 FEBDMO CC(C)C[N@@H+]1CCO[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486432428 887750643 /nfs/dbraw/zinc/75/06/43/887750643.db2.gz TVAUTDCJOMMIFX-HNNXBMFYSA-N 1 1 361.402 2.414 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486432428 887750653 /nfs/dbraw/zinc/75/06/53/887750653.db2.gz TVAUTDCJOMMIFX-HNNXBMFYSA-N 1 1 361.402 2.414 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473524413 887814795 /nfs/dbraw/zinc/81/47/95/887814795.db2.gz OJVLVSLBBSMQQN-AWEZNQCLSA-N 1 1 357.414 2.142 20 5 FEBDMO CNS(=O)(=O)c1ccc(NCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000017281840 539640691 /nfs/dbraw/zinc/64/06/91/539640691.db2.gz KCFPSPMBPVRIEK-CYBMUJFWSA-N 1 1 370.475 2.179 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000026303007 539782730 /nfs/dbraw/zinc/78/27/30/539782730.db2.gz CHSDDMBOMXZIII-UHFFFAOYSA-N 1 1 369.421 2.286 20 5 FEBDMO NC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000027271328 539803889 /nfs/dbraw/zinc/80/38/89/539803889.db2.gz UWRRPPMTOMDILJ-UHFFFAOYSA-N 1 1 354.410 2.012 20 5 FEBDMO C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000041488201 540024042 /nfs/dbraw/zinc/02/40/42/540024042.db2.gz GIQZQCLZQXTPLD-GJZGRUSLSA-N 1 1 363.462 2.426 20 5 FEBDMO C[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000041488200 540024089 /nfs/dbraw/zinc/02/40/89/540024089.db2.gz GIQZQCLZQXTPLD-CABCVRRESA-N 1 1 363.462 2.426 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000054038980 540565616 /nfs/dbraw/zinc/56/56/16/540565616.db2.gz HHPDLIZWPQWJRN-HNNXBMFYSA-N 1 1 361.402 2.202 20 5 FEBDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000054130117 540570836 /nfs/dbraw/zinc/57/08/36/540570836.db2.gz LMXKRZYVRTUYLV-UHFFFAOYSA-N 1 1 373.384 2.496 20 5 FEBDMO O=[N+]([O-])c1sc(NCC[NH+]2CCCC2)nc1NCCN1CCCC1 ZINC000536986422 540668373 /nfs/dbraw/zinc/66/83/73/540668373.db2.gz GXMLQGCWORUVIE-UHFFFAOYSA-N 1 1 354.480 2.067 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000109293945 209302552 /nfs/dbraw/zinc/30/25/52/209302552.db2.gz ZUMBSJMSZPFPOZ-CQSZACIVSA-N 1 1 357.414 2.385 20 5 FEBDMO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[N@H+](C2CC2)CC1 ZINC000061604427 541135160 /nfs/dbraw/zinc/13/51/60/541135160.db2.gz DDYSAPDRYIITQG-UHFFFAOYSA-N 1 1 355.398 2.091 20 5 FEBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)N(C)C ZINC000063550680 541173186 /nfs/dbraw/zinc/17/31/86/541173186.db2.gz WDURMFAEYJVPRI-UHFFFAOYSA-N 1 1 350.419 2.032 20 5 FEBDMO CCOc1cc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000063852607 541188878 /nfs/dbraw/zinc/18/88/78/541188878.db2.gz XLTGUWVBBPRQQD-CYBMUJFWSA-N 1 1 365.430 2.464 20 5 FEBDMO CC(C)[N@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350390 541202546 /nfs/dbraw/zinc/20/25/46/541202546.db2.gz PAFVYRQDMYJHFA-UHFFFAOYSA-N 1 1 374.397 2.424 20 5 FEBDMO CC(C)[N@@H+](CC(=O)NC(=O)NCc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350390 541202550 /nfs/dbraw/zinc/20/25/50/541202550.db2.gz PAFVYRQDMYJHFA-UHFFFAOYSA-N 1 1 374.397 2.424 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CC[NH+](CC2CC2)CC1 ZINC000064834865 541219652 /nfs/dbraw/zinc/21/96/52/541219652.db2.gz WXTNICTWYJJHHR-UHFFFAOYSA-N 1 1 358.442 2.363 20 5 FEBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533513 541244016 /nfs/dbraw/zinc/24/40/16/541244016.db2.gz BUROCIBEZWPHTJ-KRWDZBQOSA-N 1 1 359.382 2.347 20 5 FEBDMO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533513 541244018 /nfs/dbraw/zinc/24/40/18/541244018.db2.gz BUROCIBEZWPHTJ-KRWDZBQOSA-N 1 1 359.382 2.347 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066000625 541277420 /nfs/dbraw/zinc/27/74/20/541277420.db2.gz FLGYKSSMOQBTJY-TXEJJXNPSA-N 1 1 361.489 2.303 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000067398279 541457171 /nfs/dbraw/zinc/45/71/71/541457171.db2.gz ZTYJAKLJENDVCX-JSGCOSHPSA-N 1 1 362.430 2.078 20 5 FEBDMO CCOc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000067636085 541493119 /nfs/dbraw/zinc/49/31/19/541493119.db2.gz CENKUIHJWJSMTQ-CYBMUJFWSA-N 1 1 365.430 2.462 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c2)CCO1 ZINC000067810165 541516067 /nfs/dbraw/zinc/51/60/67/541516067.db2.gz MAZPBYOGGJTPMZ-CYBMUJFWSA-N 1 1 359.382 2.339 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c2)CCO1 ZINC000067810165 541516071 /nfs/dbraw/zinc/51/60/71/541516071.db2.gz MAZPBYOGGJTPMZ-CYBMUJFWSA-N 1 1 359.382 2.339 20 5 FEBDMO 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QLIIPTZQVGALQB-LBPRGKRZSA-N 1 1 374.363 2.492 20 5 FEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000127944475 544023245 /nfs/dbraw/zinc/02/32/45/544023245.db2.gz QLIIPTZQVGALQB-LBPRGKRZSA-N 1 1 374.363 2.492 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000129406295 544110977 /nfs/dbraw/zinc/11/09/77/544110977.db2.gz BUORMGQKGPMZET-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCc3ccccc3C2)c1 ZINC000129406295 544110978 /nfs/dbraw/zinc/11/09/78/544110978.db2.gz BUORMGQKGPMZET-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO COc1cc(C[N@H+](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130782028 544164182 /nfs/dbraw/zinc/16/41/82/544164182.db2.gz AENNHNLXPLVMGO-SECBINFHSA-N 1 1 352.309 2.357 20 5 FEBDMO COc1cc(C[N@@H+](C)C[C@@H](C)O)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000130782028 544164184 /nfs/dbraw/zinc/16/41/84/544164184.db2.gz AENNHNLXPLVMGO-SECBINFHSA-N 1 1 352.309 2.357 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3[nH]ncc3[N+](=O)[O-])cc2)C1 ZINC000135986284 544364796 /nfs/dbraw/zinc/36/47/96/544364796.db2.gz FJZAXBFSJGFGEY-ZDUSSCGKSA-N 1 1 357.414 2.480 20 5 FEBDMO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000135986284 544364797 /nfs/dbraw/zinc/36/47/97/544364797.db2.gz FJZAXBFSJGFGEY-ZDUSSCGKSA-N 1 1 357.414 2.480 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000135986284 544364798 /nfs/dbraw/zinc/36/47/98/544364798.db2.gz FJZAXBFSJGFGEY-ZDUSSCGKSA-N 1 1 357.414 2.480 20 5 FEBDMO O=C(c1ccccc1)N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136912147 544381130 /nfs/dbraw/zinc/38/11/30/544381130.db2.gz ZDALOCOTYFGFQP-IBGZPJMESA-N 1 1 369.421 2.476 20 5 FEBDMO O=C(c1ccccc1)N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136912147 544381133 /nfs/dbraw/zinc/38/11/33/544381133.db2.gz ZDALOCOTYFGFQP-IBGZPJMESA-N 1 1 369.421 2.476 20 5 FEBDMO C[N@H+](CCC(=O)OC(C)(C)C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000150874201 544481988 /nfs/dbraw/zinc/48/19/88/544481988.db2.gz VTMNNAIHEHCXDO-UHFFFAOYSA-N 1 1 363.414 2.148 20 5 FEBDMO C[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000150874201 544481990 /nfs/dbraw/zinc/48/19/90/544481990.db2.gz VTMNNAIHEHCXDO-UHFFFAOYSA-N 1 1 363.414 2.148 20 5 FEBDMO C[N@H+](CCC(=O)OC(C)(C)C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000150903403 544485428 /nfs/dbraw/zinc/48/54/28/544485428.db2.gz PEDJQETZOOAHKQ-OAHLLOKOSA-N 1 1 363.414 2.364 20 5 FEBDMO C[N@@H+](CCC(=O)OC(C)(C)C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000150903403 544485433 /nfs/dbraw/zinc/48/54/33/544485433.db2.gz PEDJQETZOOAHKQ-OAHLLOKOSA-N 1 1 363.414 2.364 20 5 FEBDMO C[NH+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152450088 544655290 /nfs/dbraw/zinc/65/52/90/544655290.db2.gz SXAKXRPKZUDKTO-CQSZACIVSA-N 1 1 362.430 2.166 20 5 FEBDMO CN1CCC[C@@H](C[N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000152450088 544655291 /nfs/dbraw/zinc/65/52/91/544655291.db2.gz SXAKXRPKZUDKTO-CQSZACIVSA-N 1 1 362.430 2.166 20 5 FEBDMO CN1CCC[C@@H](C[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000152450088 544655294 /nfs/dbraw/zinc/65/52/94/544655294.db2.gz SXAKXRPKZUDKTO-CQSZACIVSA-N 1 1 362.430 2.166 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000153007434 544722185 /nfs/dbraw/zinc/72/21/85/544722185.db2.gz VNXWVFLTRSDQJI-STQMWFEESA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000152856687 544702921 /nfs/dbraw/zinc/70/29/21/544702921.db2.gz TYLAHUYKCMSXAD-ZFWWWQNUSA-N 1 1 353.444 2.008 20 5 FEBDMO C[C@H]1CN(C[C@@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000153775884 544821427 /nfs/dbraw/zinc/82/14/27/544821427.db2.gz JFTYSUBUCHXPEC-LNMJFAINSA-N 1 1 363.458 2.202 20 5 FEBDMO C[C@H]1C[NH+](C[C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000153775884 544821430 /nfs/dbraw/zinc/82/14/30/544821430.db2.gz JFTYSUBUCHXPEC-LNMJFAINSA-N 1 1 363.458 2.202 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000154819166 544954060 /nfs/dbraw/zinc/95/40/60/544954060.db2.gz XQAGWCQBORZKFG-GOSISDBHSA-N 1 1 357.414 2.113 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000155090873 544987590 /nfs/dbraw/zinc/98/75/90/544987590.db2.gz VNHLXZZAOWIAMJ-UHFFFAOYSA-N 1 1 368.821 2.131 20 5 FEBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000183662534 327829324 /nfs/dbraw/zinc/82/93/24/327829324.db2.gz KXPQTDVROFJUMF-MRXNPFEDSA-N 1 1 359.382 2.255 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183730730 327832495 /nfs/dbraw/zinc/83/24/95/327832495.db2.gz RXHUAURGAXEDBY-UHFFFAOYSA-N 1 1 366.443 2.042 20 5 FEBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187153597 328005490 /nfs/dbraw/zinc/00/54/90/328005490.db2.gz LAEZWNIQGHEOFA-OAHLLOKOSA-N 1 1 370.409 2.290 20 5 FEBDMO CC[C@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000187587921 328034815 /nfs/dbraw/zinc/03/48/15/328034815.db2.gz AFQWGLJLISUYKV-SFHVURJKSA-N 1 1 365.430 2.417 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000188033122 328061839 /nfs/dbraw/zinc/06/18/39/328061839.db2.gz WHZBBFHXBHPOCJ-SJKOYZFVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000188228266 328074667 /nfs/dbraw/zinc/07/46/67/328074667.db2.gz ZOYXHHVRZOJCHP-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000188681089 328103990 /nfs/dbraw/zinc/10/39/90/328103990.db2.gz MNEISASVNBDCTL-STQMWFEESA-N 1 1 367.421 2.141 20 5 FEBDMO COCCO[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000189675103 328161457 /nfs/dbraw/zinc/16/14/57/328161457.db2.gz DNGDFSGKFAOREM-DOMZBBRYSA-N 1 1 362.386 2.443 20 5 FEBDMO COCCO[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000189675103 328161458 /nfs/dbraw/zinc/16/14/58/328161458.db2.gz DNGDFSGKFAOREM-DOMZBBRYSA-N 1 1 362.386 2.443 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000189973047 328179818 /nfs/dbraw/zinc/17/98/18/328179818.db2.gz QLDLHHZEIHRUFF-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO COc1cc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000191641995 328275401 /nfs/dbraw/zinc/27/54/01/328275401.db2.gz ZOZOCQCWQRQMHX-BETUJISGSA-N 1 1 365.430 2.141 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000191802586 328282713 /nfs/dbraw/zinc/28/27/13/328282713.db2.gz DLDLHUNEDZDKHZ-UKRRQHHQSA-N 1 1 363.414 2.363 20 5 FEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000192029733 328295430 /nfs/dbraw/zinc/29/54/30/328295430.db2.gz HHHQQCBPRVWZNO-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000192029733 328295431 /nfs/dbraw/zinc/29/54/31/328295431.db2.gz HHHQQCBPRVWZNO-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO COC(=O)[C@H](C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCC1 ZINC000192386852 328317181 /nfs/dbraw/zinc/31/71/81/328317181.db2.gz IXWKMOODCBGNGL-NSHDSACASA-N 1 1 367.377 2.479 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000192459059 328319956 /nfs/dbraw/zinc/31/99/56/328319956.db2.gz ZFBCKMKUNMRKQB-KRWDZBQOSA-N 1 1 369.421 2.400 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193569476 328382355 /nfs/dbraw/zinc/38/23/55/328382355.db2.gz ASDGXOIRCKWWFL-HNNXBMFYSA-N 1 1 362.430 2.470 20 5 FEBDMO Cc1cc(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000193629210 328386550 /nfs/dbraw/zinc/38/65/50/328386550.db2.gz CSBDSGITBFSVMN-KRWDZBQOSA-N 1 1 363.462 2.297 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000193691980 328389783 /nfs/dbraw/zinc/38/97/83/328389783.db2.gz FSMALCGSHACQAR-SWLSCSKDSA-N 1 1 356.382 2.088 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193829904 328397704 /nfs/dbraw/zinc/39/77/04/328397704.db2.gz VINTZQGCORMKPB-CYBMUJFWSA-N 1 1 350.375 2.241 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193829904 328397706 /nfs/dbraw/zinc/39/77/06/328397706.db2.gz VINTZQGCORMKPB-CYBMUJFWSA-N 1 1 350.375 2.241 20 5 FEBDMO Cc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[NH+](C)C)cc1 ZINC000010090520 324366267 /nfs/dbraw/zinc/36/62/67/324366267.db2.gz GKNWGTNTPKEZFP-QGZVFWFLSA-N 1 1 363.439 2.484 20 5 FEBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000083027284 325210670 /nfs/dbraw/zinc/21/06/70/325210670.db2.gz SUAFACJYFXPYOI-BETUJISGSA-N 1 1 353.394 2.353 20 5 FEBDMO Cc1nn(CCC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000116652636 326028553 /nfs/dbraw/zinc/02/85/53/326028553.db2.gz QXIJPPAOSKYCJS-CQSZACIVSA-N 1 1 365.478 2.427 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116756839 326032088 /nfs/dbraw/zinc/03/20/88/326032088.db2.gz UHVGKUYOKLBNBM-GFCCVEGCSA-N 1 1 355.822 2.475 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCCn1cc[nH+]c1C ZINC000119097154 326126948 /nfs/dbraw/zinc/12/69/48/326126948.db2.gz LDGMPJDTDBQADJ-UHFFFAOYSA-N 1 1 366.443 2.373 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120349895 326251905 /nfs/dbraw/zinc/25/19/05/326251905.db2.gz LGYHHCTVWAPPSO-JLZZUVOBSA-N 1 1 363.414 2.287 20 5 FEBDMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000120840149 326292604 /nfs/dbraw/zinc/29/26/04/326292604.db2.gz ONLVMXRZBKSBBB-AWEZNQCLSA-N 1 1 350.419 2.132 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000120926900 326299871 /nfs/dbraw/zinc/29/98/71/326299871.db2.gz HUTOQKSOBXUIJZ-UHFFFAOYSA-N 1 1 366.443 2.475 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)[nH+]c1 ZINC000124268147 326450744 /nfs/dbraw/zinc/45/07/44/326450744.db2.gz YKFSFJKPAXTYIW-UHFFFAOYSA-N 1 1 355.398 2.279 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000129921012 326548420 /nfs/dbraw/zinc/54/84/20/326548420.db2.gz WTJNBQGOFRFPIS-UHFFFAOYSA-N 1 1 368.397 2.496 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000130752133 326562549 /nfs/dbraw/zinc/56/25/49/326562549.db2.gz LNIMCTVKTQQOFI-UHFFFAOYSA-N 1 1 350.350 2.166 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000171619091 327148639 /nfs/dbraw/zinc/14/86/39/327148639.db2.gz LADRVRJQHCENQR-AWEZNQCLSA-N 1 1 357.414 2.391 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000172485171 327203679 /nfs/dbraw/zinc/20/36/79/327203679.db2.gz AUMPGGCGFNOZAS-NVXWUHKLSA-N 1 1 371.441 2.303 20 5 FEBDMO CCOc1ccc(NC(=O)CN2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172544502 327207343 /nfs/dbraw/zinc/20/73/43/327207343.db2.gz FVUDVBKCUPNPEF-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000173311143 327248979 /nfs/dbraw/zinc/24/89/79/327248979.db2.gz UIWYZBLJGBZREP-UHFFFAOYSA-N 1 1 352.416 2.167 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000173867504 327290244 /nfs/dbraw/zinc/29/02/44/327290244.db2.gz OFKPAJSQGNECCL-INIZCTEOSA-N 1 1 367.471 2.279 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000173952923 327297172 /nfs/dbraw/zinc/29/71/72/327297172.db2.gz KOYQRWUYNWYQSZ-LBPRGKRZSA-N 1 1 359.423 2.086 20 5 FEBDMO CCc1ccc(C(=O)NCC2CCN(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000174231675 327314521 /nfs/dbraw/zinc/31/45/21/327314521.db2.gz YVUXJBZYZYNWCP-UHFFFAOYSA-N 1 1 362.474 2.161 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000175202130 327379402 /nfs/dbraw/zinc/37/94/02/327379402.db2.gz RQNVPRDOHHEACT-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000175272186 327383743 /nfs/dbraw/zinc/38/37/43/327383743.db2.gz JJJUPJPBRLOUFI-HIFRSBDPSA-N 1 1 370.409 2.478 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000175394248 327390557 /nfs/dbraw/zinc/39/05/57/327390557.db2.gz PYYFOHJSOHFOLZ-LLVKDONJSA-N 1 1 361.851 2.353 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000262303626 328858068 /nfs/dbraw/zinc/85/80/68/328858068.db2.gz XWSIANUHJXNSLF-NSHDSACASA-N 1 1 365.386 2.421 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC3CC3)CC2)cc1SC ZINC000264121986 328993060 /nfs/dbraw/zinc/99/30/60/328993060.db2.gz JZZOMHKJNLPQCZ-UHFFFAOYSA-N 1 1 365.455 2.493 20 5 FEBDMO Cc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000264381640 329016309 /nfs/dbraw/zinc/01/63/09/329016309.db2.gz FNCLBTCEKYBYBB-QGZVFWFLSA-N 1 1 360.458 2.145 20 5 FEBDMO Cc1nn(C)c(NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000265128912 329094135 /nfs/dbraw/zinc/09/41/35/329094135.db2.gz MHLYELAJZALXFC-CYBMUJFWSA-N 1 1 359.430 2.470 20 5 FEBDMO Cc1nn(C)c(NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1[N+](=O)[O-] ZINC000265128912 329094137 /nfs/dbraw/zinc/09/41/37/329094137.db2.gz MHLYELAJZALXFC-CYBMUJFWSA-N 1 1 359.430 2.470 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)C2CCC(OC)CC2)c([N+](=O)[O-])c1 ZINC000265194103 329101005 /nfs/dbraw/zinc/10/10/05/329101005.db2.gz IAZHUMKXXVAPAD-UHFFFAOYSA-N 1 1 351.403 2.431 20 5 FEBDMO CS(=O)(=O)c1ccc(N2CCC[N@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000265623065 329144041 /nfs/dbraw/zinc/14/40/41/329144041.db2.gz YHIIHCWTOBLOEA-UHFFFAOYSA-N 1 1 367.471 2.453 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266083391 329188443 /nfs/dbraw/zinc/18/84/43/329188443.db2.gz GLCLHDSQBRKRTA-LBPRGKRZSA-N 1 1 368.390 2.092 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000266318893 329210978 /nfs/dbraw/zinc/21/09/78/329210978.db2.gz RWIOOOCTOZBVFN-CYBMUJFWSA-N 1 1 363.414 2.170 20 5 FEBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[C@@H](C)[NH+]1CCOCC1 ZINC000266365420 329215513 /nfs/dbraw/zinc/21/55/13/329215513.db2.gz KZCYNMPXPXDXEX-CHWSQXEVSA-N 1 1 364.402 2.073 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)cc([N+](=O)[O-])c1OC ZINC000267470858 329330966 /nfs/dbraw/zinc/33/09/66/329330966.db2.gz SQPSSWLQMHTORS-CQSZACIVSA-N 1 1 374.397 2.422 20 5 FEBDMO COc1cc(C(=O)N(C)CCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1OC ZINC000269661167 329538289 /nfs/dbraw/zinc/53/82/89/329538289.db2.gz KYDIWZHTYUKXOZ-UHFFFAOYSA-N 1 1 362.386 2.279 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272521920 329787820 /nfs/dbraw/zinc/78/78/20/329787820.db2.gz LKBYPRALCUYAOZ-QGZVFWFLSA-N 1 1 371.441 2.314 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 ZINC000273441346 329865175 /nfs/dbraw/zinc/86/51/75/329865175.db2.gz MVXWWPAKLUHZIM-UHFFFAOYSA-N 1 1 354.410 2.324 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275461982 330051481 /nfs/dbraw/zinc/05/14/81/330051481.db2.gz NLVWRUUSZCXOAU-OAHLLOKOSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000275853169 330096565 /nfs/dbraw/zinc/09/65/65/330096565.db2.gz SCQJYSLQMWQNPX-KGLIPLIRSA-N 1 1 364.446 2.142 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000276350913 330143986 /nfs/dbraw/zinc/14/39/86/330143986.db2.gz ULLBUZKONBNFEO-ZDUSSCGKSA-N 1 1 355.460 2.388 20 5 FEBDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000367082451 330215163 /nfs/dbraw/zinc/21/51/63/330215163.db2.gz WMBJRCVYPDTTBA-UHFFFAOYSA-N 1 1 355.394 2.060 20 5 FEBDMO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375786743 330251494 /nfs/dbraw/zinc/25/14/94/330251494.db2.gz FKYDSGAAOKOQLG-WBVHZDCISA-N 1 1 363.414 2.464 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCc2c[nH+]cn2C1 ZINC000804783187 674300974 /nfs/dbraw/zinc/30/09/74/674300974.db2.gz ZDCPVTWUZLPFGV-VIFPVBQESA-N 1 1 372.353 2.215 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155556449 545542394 /nfs/dbraw/zinc/54/23/94/545542394.db2.gz KCXDKUOWERRCOQ-CZUORRHYSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000156656839 545643449 /nfs/dbraw/zinc/64/34/49/545643449.db2.gz HADXOLZJOPEZDL-OAHLLOKOSA-N 1 1 358.402 2.197 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000156656839 545643452 /nfs/dbraw/zinc/64/34/52/545643452.db2.gz HADXOLZJOPEZDL-OAHLLOKOSA-N 1 1 358.402 2.197 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC[C@@H]21 ZINC000157733352 545774849 /nfs/dbraw/zinc/77/48/49/545774849.db2.gz QHOLFAHWTXMJHR-ZBFHGGJFSA-N 1 1 369.425 2.337 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000158643934 545880578 /nfs/dbraw/zinc/88/05/78/545880578.db2.gz RSSQIQFXOVQRNQ-ZDUSSCGKSA-N 1 1 353.444 2.232 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000159654398 545970474 /nfs/dbraw/zinc/97/04/74/545970474.db2.gz CFADPZRDPCIKON-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO C[C@@H]1C[N@H+](CCCCNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000176695929 546477096 /nfs/dbraw/zinc/47/70/96/546477096.db2.gz ZASNQLJFYYHVES-GASCZTMLSA-N 1 1 364.446 2.012 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1C1CC1 ZINC000177095910 546543668 /nfs/dbraw/zinc/54/36/68/546543668.db2.gz KUSLEMWKRRGWPP-STQMWFEESA-N 1 1 355.398 2.136 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177345846 546597583 /nfs/dbraw/zinc/59/75/83/546597583.db2.gz XJSFEXIRMSJMQC-KGLIPLIRSA-N 1 1 362.430 2.101 20 5 FEBDMO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000177410389 546612287 /nfs/dbraw/zinc/61/22/87/546612287.db2.gz LOHJQLUEPSZQGZ-SJKOYZFVSA-N 1 1 371.393 2.334 20 5 FEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000177448068 546620462 /nfs/dbraw/zinc/62/04/62/546620462.db2.gz YFVMYRZYNKVFKG-UHFFFAOYSA-N 1 1 361.851 2.104 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000481102983 561225344 /nfs/dbraw/zinc/22/53/44/561225344.db2.gz CDFXJSYBZOIDOI-CHWSQXEVSA-N 1 1 362.430 2.158 20 5 FEBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000178947781 546878539 /nfs/dbraw/zinc/87/85/39/546878539.db2.gz QFMJIGDAELKLPM-SJORKVTESA-N 1 1 361.423 2.319 20 5 FEBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000178947781 546878543 /nfs/dbraw/zinc/87/85/43/546878543.db2.gz QFMJIGDAELKLPM-SJORKVTESA-N 1 1 361.423 2.319 20 5 FEBDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179642812 546990506 /nfs/dbraw/zinc/99/05/06/546990506.db2.gz MMABZEHZORIZBZ-OAHLLOKOSA-N 1 1 374.416 2.274 20 5 FEBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180257696 547073963 /nfs/dbraw/zinc/07/39/63/547073963.db2.gz GDTUTOXYILKIKG-UHFFFAOYSA-N 1 1 369.377 2.112 20 5 FEBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180257696 547073967 /nfs/dbraw/zinc/07/39/67/547073967.db2.gz GDTUTOXYILKIKG-UHFFFAOYSA-N 1 1 369.377 2.112 20 5 FEBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000180509050 547121768 /nfs/dbraw/zinc/12/17/68/547121768.db2.gz XZZVPZSOMAROKP-UHFFFAOYSA-N 1 1 373.388 2.059 20 5 FEBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000180509050 547121774 /nfs/dbraw/zinc/12/17/74/547121774.db2.gz XZZVPZSOMAROKP-UHFFFAOYSA-N 1 1 373.388 2.059 20 5 FEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](O)COCc1ccccc1 ZINC000482699444 561258802 /nfs/dbraw/zinc/25/88/02/561258802.db2.gz NGMARPHQWHRUAS-INIZCTEOSA-N 1 1 370.409 2.481 20 5 FEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H](O)COCc1ccccc1 ZINC000482699444 561258803 /nfs/dbraw/zinc/25/88/03/561258803.db2.gz NGMARPHQWHRUAS-INIZCTEOSA-N 1 1 370.409 2.481 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000483113183 561267655 /nfs/dbraw/zinc/26/76/55/561267655.db2.gz UQHNYQCZMVPMRL-KRWDZBQOSA-N 1 1 370.409 2.390 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000483113183 561267656 /nfs/dbraw/zinc/26/76/56/561267656.db2.gz UQHNYQCZMVPMRL-KRWDZBQOSA-N 1 1 370.409 2.390 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCSCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000483426550 561276854 /nfs/dbraw/zinc/27/68/54/561276854.db2.gz ODSOVYNDQMGTBF-LBPRGKRZSA-N 1 1 354.428 2.474 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181943698 547409603 /nfs/dbraw/zinc/40/96/03/547409603.db2.gz GHOHJPUQQQFIJO-OAHLLOKOSA-N 1 1 369.487 2.032 20 5 FEBDMO CCCC[N@@H+](CCCO)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000182145421 547444786 /nfs/dbraw/zinc/44/47/86/547444786.db2.gz HCZRVWDRRFGPDP-ZDUSSCGKSA-N 1 1 353.419 2.415 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182681763 547531802 /nfs/dbraw/zinc/53/18/02/547531802.db2.gz UYJJWDSANGZZHR-NSHDSACASA-N 1 1 368.821 2.177 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182767643 547550115 /nfs/dbraw/zinc/55/01/15/547550115.db2.gz RMSLLGSAWSDGAD-JTQLQIEISA-N 1 1 356.810 2.033 20 5 FEBDMO CCCCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(N)=O ZINC000183027116 547589777 /nfs/dbraw/zinc/58/97/77/547589777.db2.gz ALYXBLWPHAOGFS-UHFFFAOYSA-N 1 1 350.419 2.209 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183209756 547621188 /nfs/dbraw/zinc/62/11/88/547621188.db2.gz QGQVEBGJXLYEPU-KSSFIOAISA-N 1 1 374.441 2.278 20 5 FEBDMO CCC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000183489115 547670375 /nfs/dbraw/zinc/67/03/75/547670375.db2.gz FRQYMXXANGUUFO-CQSZACIVSA-N 1 1 355.460 2.337 20 5 FEBDMO Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000183782412 547718267 /nfs/dbraw/zinc/71/82/67/547718267.db2.gz CZZPNUFCZWWGCJ-KRWDZBQOSA-N 1 1 369.421 2.400 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000484880121 561307693 /nfs/dbraw/zinc/30/76/93/561307693.db2.gz WZKDAQLBIDVLSG-PMPSAXMXSA-N 1 1 352.431 2.472 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000184520985 547840254 /nfs/dbraw/zinc/84/02/54/547840254.db2.gz JMWNSDODTHDMPC-KBPBESRZSA-N 1 1 361.446 2.299 20 5 FEBDMO COc1cccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000185169353 547945562 /nfs/dbraw/zinc/94/55/62/547945562.db2.gz OLTYFLKRMFHTMT-MRXNPFEDSA-N 1 1 357.410 2.435 20 5 FEBDMO C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713778 548024100 /nfs/dbraw/zinc/02/41/00/548024100.db2.gz CGMHOIPNDCUPHO-CJNGLKHVSA-N 1 1 360.458 2.436 20 5 FEBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185815642 548040115 /nfs/dbraw/zinc/04/01/15/548040115.db2.gz KOGLLNIDDNZBAA-UHFFFAOYSA-N 1 1 366.443 2.153 20 5 FEBDMO COc1ccc(OCC[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000485905349 561331857 /nfs/dbraw/zinc/33/18/57/561331857.db2.gz IUOZPVMPIVADDC-GFCCVEGCSA-N 1 1 353.419 2.217 20 5 FEBDMO COc1ccc(OCC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)c([N+](=O)[O-])c1 ZINC000485905349 561331858 /nfs/dbraw/zinc/33/18/58/561331858.db2.gz IUOZPVMPIVADDC-GFCCVEGCSA-N 1 1 353.419 2.217 20 5 FEBDMO CC[C@H]1C[N@H+](CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000486017879 561335396 /nfs/dbraw/zinc/33/53/96/561335396.db2.gz QKACEAQQEABYDT-KRWDZBQOSA-N 1 1 371.441 2.305 20 5 FEBDMO CC[C@H]1C[N@@H+](CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000486017879 561335397 /nfs/dbraw/zinc/33/53/97/561335397.db2.gz QKACEAQQEABYDT-KRWDZBQOSA-N 1 1 371.441 2.305 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186956600 548227809 /nfs/dbraw/zinc/22/78/09/548227809.db2.gz HOVFOXKHJKURMI-ATGUSINASA-N 1 1 361.442 2.302 20 5 FEBDMO COC(=O)c1cc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865284 561358458 /nfs/dbraw/zinc/35/84/58/561358458.db2.gz HDHGCXZEAVMGQU-YPMHNXCESA-N 1 1 364.402 2.294 20 5 FEBDMO COC(=O)c1cc(NC(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865010 561358528 /nfs/dbraw/zinc/35/85/28/561358528.db2.gz HDHGCXZEAVMGQU-AAEUAGOBSA-N 1 1 364.402 2.294 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488053174 561382327 /nfs/dbraw/zinc/38/23/27/561382327.db2.gz DCQKOZGTLIYPOU-HNNXBMFYSA-N 1 1 357.458 2.250 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000246705178 549192664 /nfs/dbraw/zinc/19/26/64/549192664.db2.gz ZNJPWGVKOZQXKQ-DOMZBBRYSA-N 1 1 355.460 2.118 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC[C@H]21 ZINC000247132149 549288828 /nfs/dbraw/zinc/28/88/28/549288828.db2.gz ASTXOAVSQOWLIL-RDTXWAMCSA-N 1 1 369.425 2.337 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247245324 549305734 /nfs/dbraw/zinc/30/57/34/549305734.db2.gz ZEMJDCRQXPOKIC-WCQYABFASA-N 1 1 373.862 2.353 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248453443 549441458 /nfs/dbraw/zinc/44/14/58/549441458.db2.gz JZVJNGZNTWDYTE-WMLDXEAASA-N 1 1 369.487 2.031 20 5 FEBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000248660267 549478716 /nfs/dbraw/zinc/47/87/16/549478716.db2.gz HHHQQCBPRVWZNO-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000248660267 549478720 /nfs/dbraw/zinc/47/87/20/549478720.db2.gz HHHQQCBPRVWZNO-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000249082614 549548421 /nfs/dbraw/zinc/54/84/21/549548421.db2.gz MUERUWVLSIBFCA-KBPBESRZSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000249082614 549548425 /nfs/dbraw/zinc/54/84/25/549548425.db2.gz MUERUWVLSIBFCA-KBPBESRZSA-N 1 1 350.419 2.130 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000249203299 549568490 /nfs/dbraw/zinc/56/84/90/549568490.db2.gz ANLXBUBTRLRTAK-GJZGRUSLSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@H](O)CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000249203299 549568493 /nfs/dbraw/zinc/56/84/93/549568493.db2.gz ANLXBUBTRLRTAK-GJZGRUSLSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@H](O)CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000249203299 549568495 /nfs/dbraw/zinc/56/84/95/549568495.db2.gz ANLXBUBTRLRTAK-GJZGRUSLSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000249383885 549586053 /nfs/dbraw/zinc/58/60/53/549586053.db2.gz PKWSAYDSQYPTGG-QWHCGFSZSA-N 1 1 367.421 2.141 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000263978708 549962701 /nfs/dbraw/zinc/96/27/01/549962701.db2.gz AJXMZKJMOACFQG-ZDUSSCGKSA-N 1 1 351.407 2.189 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000268317651 550048835 /nfs/dbraw/zinc/04/88/35/550048835.db2.gz DQQIEGLQFZAHQI-LBPRGKRZSA-N 1 1 367.402 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000268317651 550048836 /nfs/dbraw/zinc/04/88/36/550048836.db2.gz DQQIEGLQFZAHQI-LBPRGKRZSA-N 1 1 367.402 2.204 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1OC ZINC000269124725 550158234 /nfs/dbraw/zinc/15/82/34/550158234.db2.gz WQDOUARFIWYPJZ-GXTWGEPZSA-N 1 1 363.414 2.168 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000493537551 561456670 /nfs/dbraw/zinc/45/66/70/561456670.db2.gz WDELKDZAYUQQNC-CJNGLKHVSA-N 1 1 370.409 2.074 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493735193 561457908 /nfs/dbraw/zinc/45/79/08/561457908.db2.gz HHTFOXMBKPEOAB-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO C[NH+]1CCC([C@@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000270281026 550258833 /nfs/dbraw/zinc/25/88/33/550258833.db2.gz VJWSECZLWRNGJY-CYBMUJFWSA-N 1 1 357.414 2.275 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271336246 550366214 /nfs/dbraw/zinc/36/62/14/550366214.db2.gz FJGSWUGQOMRLMN-HNNXBMFYSA-N 1 1 367.409 2.271 20 5 FEBDMO CC(C)[C@H](CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000271654555 550392680 /nfs/dbraw/zinc/39/26/80/550392680.db2.gz VYXJRNFYCYYQDF-PBHICJAKSA-N 1 1 364.446 2.312 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295003 550435301 /nfs/dbraw/zinc/43/53/01/550435301.db2.gz HSFJEUWCZJLNAS-NOZJJQNGSA-N 1 1 355.341 2.409 20 5 FEBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521059 550455036 /nfs/dbraw/zinc/45/50/36/550455036.db2.gz PXHNNOONLFWLMO-CHWSQXEVSA-N 1 1 353.423 2.026 20 5 FEBDMO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272835712 550472945 /nfs/dbraw/zinc/47/29/45/550472945.db2.gz RYZWXVCZQUUECL-HNNXBMFYSA-N 1 1 360.838 2.483 20 5 FEBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272835712 550472947 /nfs/dbraw/zinc/47/29/47/550472947.db2.gz RYZWXVCZQUUECL-HNNXBMFYSA-N 1 1 360.838 2.483 20 5 FEBDMO Cc1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272862483 550474189 /nfs/dbraw/zinc/47/41/89/550474189.db2.gz QSQHABRSGXJMSP-UHFFFAOYSA-N 1 1 371.441 2.052 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000274549401 550543564 /nfs/dbraw/zinc/54/35/64/550543564.db2.gz XGXBUIPTIZHXDO-GFCCVEGCSA-N 1 1 351.403 2.215 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000274589197 550545151 /nfs/dbraw/zinc/54/51/51/550545151.db2.gz QFKKSEWXIWALFX-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO C[N@@H+]1CCC[C@H]1CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783514 550554270 /nfs/dbraw/zinc/55/42/70/550554270.db2.gz ADTDCYPQGNIOTN-HNNXBMFYSA-N 1 1 372.473 2.468 20 5 FEBDMO C[N@H+]1CCC[C@H]1CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274783514 550554271 /nfs/dbraw/zinc/55/42/71/550554271.db2.gz ADTDCYPQGNIOTN-HNNXBMFYSA-N 1 1 372.473 2.468 20 5 FEBDMO COC(=O)c1cnc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000276836090 550601278 /nfs/dbraw/zinc/60/12/78/550601278.db2.gz VTPZDADCTXEEQQ-WFASDCNBSA-N 1 1 360.414 2.230 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276905517 550609427 /nfs/dbraw/zinc/60/94/27/550609427.db2.gz ILQVNUYKYGDNEZ-UHFFFAOYSA-N 1 1 356.382 2.391 20 5 FEBDMO COc1ccc(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277507783 550678729 /nfs/dbraw/zinc/67/87/29/550678729.db2.gz PWOXXKBYZQIXHP-CYBMUJFWSA-N 1 1 366.418 2.226 20 5 FEBDMO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000278039467 550741942 /nfs/dbraw/zinc/74/19/42/550741942.db2.gz CHSGTSZTOHZMLS-KBPBESRZSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000278039467 550741943 /nfs/dbraw/zinc/74/19/43/550741943.db2.gz CHSGTSZTOHZMLS-KBPBESRZSA-N 1 1 358.822 2.094 20 5 FEBDMO Cc1cc(=O)n(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000278544868 550797739 /nfs/dbraw/zinc/79/77/39/550797739.db2.gz KMTHGBKUOZNQAH-KRWDZBQOSA-N 1 1 357.410 2.356 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278559494 550798934 /nfs/dbraw/zinc/79/89/34/550798934.db2.gz ARRXOSJHTFTRTJ-UHFFFAOYSA-N 1 1 370.413 2.006 20 5 FEBDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823323 550825911 /nfs/dbraw/zinc/82/59/11/550825911.db2.gz CMPYZMNZVLQXIX-CVEARBPZSA-N 1 1 368.821 2.125 20 5 FEBDMO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000495213876 561484624 /nfs/dbraw/zinc/48/46/24/561484624.db2.gz ZDDIFUUPJGVVGL-MRXNPFEDSA-N 1 1 362.430 2.175 20 5 FEBDMO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000495213876 561484625 /nfs/dbraw/zinc/48/46/25/561484625.db2.gz ZDDIFUUPJGVVGL-MRXNPFEDSA-N 1 1 362.430 2.175 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279288143 550873818 /nfs/dbraw/zinc/87/38/18/550873818.db2.gz XTUQTIXODABFLO-CYBMUJFWSA-N 1 1 358.373 2.320 20 5 FEBDMO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279617129 550908897 /nfs/dbraw/zinc/90/88/97/550908897.db2.gz AJOYDNSBBFRERQ-MAUKXSAKSA-N 1 1 371.441 2.266 20 5 FEBDMO CC1(C)CC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000279747819 550924653 /nfs/dbraw/zinc/92/46/53/550924653.db2.gz PTHRTCHQJOWIAS-UHFFFAOYSA-N 1 1 367.427 2.480 20 5 FEBDMO CC1(C)CC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCS1 ZINC000279747819 550924654 /nfs/dbraw/zinc/92/46/54/550924654.db2.gz PTHRTCHQJOWIAS-UHFFFAOYSA-N 1 1 367.427 2.480 20 5 FEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279831384 550933875 /nfs/dbraw/zinc/93/38/75/550933875.db2.gz RCIXVWLMEGPWOD-CQSZACIVSA-N 1 1 363.414 2.193 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000280330387 550981582 /nfs/dbraw/zinc/98/15/82/550981582.db2.gz VHQUPBMKBMDVGH-UHFFFAOYSA-N 1 1 365.455 2.325 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280943243 551047941 /nfs/dbraw/zinc/04/79/41/551047941.db2.gz IBDCGLLHXRUYNE-PKOBYXMFSA-N 1 1 373.409 2.021 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281439002 551097728 /nfs/dbraw/zinc/09/77/28/551097728.db2.gz SYXMQMDOGCZCNA-QKCSRTOESA-N 1 1 373.369 2.136 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281439002 551097730 /nfs/dbraw/zinc/09/77/30/551097730.db2.gz SYXMQMDOGCZCNA-QKCSRTOESA-N 1 1 373.369 2.136 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281600600 551118963 /nfs/dbraw/zinc/11/89/63/551118963.db2.gz FTRPGBBTMIOFJS-LJQANCHMSA-N 1 1 371.393 2.102 20 5 FEBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281894505 551154425 /nfs/dbraw/zinc/15/44/25/551154425.db2.gz BDHFHVFOSKPTNH-AHIWAGSCSA-N 1 1 361.398 2.197 20 5 FEBDMO Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000283736595 551419436 /nfs/dbraw/zinc/41/94/36/551419436.db2.gz CXOZSHVLMAIGHG-UHFFFAOYSA-N 1 1 368.397 2.306 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750849 551421738 /nfs/dbraw/zinc/42/17/38/551421738.db2.gz OMRQUYQNTPJFLX-QMTHXVAHSA-N 1 1 350.394 2.012 20 5 FEBDMO COc1ccc(NC(=O)C[NH+]2CCC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000284824675 551643530 /nfs/dbraw/zinc/64/35/30/551643530.db2.gz RHHHWIALBBASFH-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498557604 561528382 /nfs/dbraw/zinc/52/83/82/561528382.db2.gz WGAVEEIJWSTOPF-NEPJUHHUSA-N 1 1 351.403 2.167 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000286049707 551843129 /nfs/dbraw/zinc/84/31/29/551843129.db2.gz ATECMBIVTLYUFJ-WFASDCNBSA-N 1 1 360.414 2.230 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1[C@H]1CCCO1 ZINC000289377686 552310635 /nfs/dbraw/zinc/31/06/35/552310635.db2.gz BICRQUZIQALIJG-UAGQMJEPSA-N 1 1 350.415 2.224 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000289610720 552349324 /nfs/dbraw/zinc/34/93/24/552349324.db2.gz YIQVCDLCXIJJMS-KRWDZBQOSA-N 1 1 366.421 2.331 20 5 FEBDMO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000289654516 552356797 /nfs/dbraw/zinc/35/67/97/552356797.db2.gz CJBBYTRWQHDRRF-UHFFFAOYSA-N 1 1 374.485 2.409 20 5 FEBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000289699917 552363916 /nfs/dbraw/zinc/36/39/16/552363916.db2.gz OGNZFTXQZQZBCK-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000289699917 552363919 /nfs/dbraw/zinc/36/39/19/552363919.db2.gz OGNZFTXQZQZBCK-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1n[nH]c(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000290372880 552468822 /nfs/dbraw/zinc/46/88/22/552468822.db2.gz FFUUCNFWHMVCAQ-GFCCVEGCSA-N 1 1 367.369 2.086 20 5 FEBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000291262847 552607622 /nfs/dbraw/zinc/60/76/22/552607622.db2.gz XEQGBSCIYUSLAF-BGTYHANMSA-N 1 1 363.458 2.408 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)C1 ZINC000292083292 552691871 /nfs/dbraw/zinc/69/18/71/552691871.db2.gz CQUPDEDEIUXXRU-FQEVSTJZSA-N 1 1 372.469 2.365 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000292274002 552711167 /nfs/dbraw/zinc/71/11/67/552711167.db2.gz QLZVWJWZDPXFMC-GOSISDBHSA-N 1 1 363.414 2.170 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000292281107 552712144 /nfs/dbraw/zinc/71/21/44/552712144.db2.gz QVLGEQGQMBEZCS-INIZCTEOSA-N 1 1 371.441 2.360 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292725232 552752798 /nfs/dbraw/zinc/75/27/98/552752798.db2.gz GCQSWZOQBVEDLO-MRXNPFEDSA-N 1 1 353.444 2.010 20 5 FEBDMO C[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706828 552848883 /nfs/dbraw/zinc/84/88/83/552848883.db2.gz LRKNROJAIOEZDJ-KBXCAEBGSA-N 1 1 370.453 2.247 20 5 FEBDMO C[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706828 552848884 /nfs/dbraw/zinc/84/88/84/552848884.db2.gz LRKNROJAIOEZDJ-KBXCAEBGSA-N 1 1 370.453 2.247 20 5 FEBDMO C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+](C2CCC2)C1 ZINC000293760941 552853700 /nfs/dbraw/zinc/85/37/00/552853700.db2.gz UIXRPQLRESKVMG-GFCCVEGCSA-N 1 1 357.414 2.418 20 5 FEBDMO C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000293760941 552853701 /nfs/dbraw/zinc/85/37/01/552853701.db2.gz UIXRPQLRESKVMG-GFCCVEGCSA-N 1 1 357.414 2.418 20 5 FEBDMO C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+](C2CCC2)C1 ZINC000293760941 552853702 /nfs/dbraw/zinc/85/37/02/552853702.db2.gz UIXRPQLRESKVMG-GFCCVEGCSA-N 1 1 357.414 2.418 20 5 FEBDMO COC(=O)Cc1ccc(NCCC[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000295091051 552958328 /nfs/dbraw/zinc/95/83/28/552958328.db2.gz SFPVRVCBYVKSDQ-AWEZNQCLSA-N 1 1 365.430 2.223 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C2)C1 ZINC000295635536 553037194 /nfs/dbraw/zinc/03/71/94/553037194.db2.gz ZQVXBJHKMQQSNT-SFHVURJKSA-N 1 1 355.398 2.153 20 5 FEBDMO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C2)C1 ZINC000295635536 553037197 /nfs/dbraw/zinc/03/71/97/553037197.db2.gz ZQVXBJHKMQQSNT-SFHVURJKSA-N 1 1 355.398 2.153 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C2)C1 ZINC000295635536 553037199 /nfs/dbraw/zinc/03/71/99/553037199.db2.gz ZQVXBJHKMQQSNT-SFHVURJKSA-N 1 1 355.398 2.153 20 5 FEBDMO Cc1cc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cn2cc[nH+]c12 ZINC000502905536 561629550 /nfs/dbraw/zinc/62/95/50/561629550.db2.gz YOEVWJUSALQMNJ-UHFFFAOYSA-N 1 1 367.365 2.228 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000297822178 553343224 /nfs/dbraw/zinc/34/32/24/553343224.db2.gz JFEIAWCFZYIMIX-HNNXBMFYSA-N 1 1 374.397 2.162 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000297941086 553360427 /nfs/dbraw/zinc/36/04/27/553360427.db2.gz RWVKHNKYKNWPFV-HNNXBMFYSA-N 1 1 374.397 2.162 20 5 FEBDMO C[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+](C2CC2)C1 ZINC000298218578 553399535 /nfs/dbraw/zinc/39/95/35/553399535.db2.gz HBQLFCQKDYVXSQ-GFCCVEGCSA-N 1 1 372.429 2.097 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000298284021 553407732 /nfs/dbraw/zinc/40/77/32/553407732.db2.gz XGAAAEBKFKDMCB-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO O=C(CC[N@H+](CCCO)Cc1ccccn1)Nc1ccccc1[N+](=O)[O-] ZINC000298593175 553446083 /nfs/dbraw/zinc/44/60/83/553446083.db2.gz RVMDMUAOOVBICI-UHFFFAOYSA-N 1 1 358.398 2.203 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000299219114 553532527 /nfs/dbraw/zinc/53/25/27/553532527.db2.gz IHMPQGHFDGKCLD-HNNXBMFYSA-N 1 1 362.430 2.175 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000299343035 553550822 /nfs/dbraw/zinc/55/08/22/553550822.db2.gz OVMFOOOKWYCTPD-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000299446234 553564486 /nfs/dbraw/zinc/56/44/86/553564486.db2.gz YSLARNJSLWDUDI-HOCLYGCPSA-N 1 1 374.441 2.093 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000299455400 553565448 /nfs/dbraw/zinc/56/54/48/553565448.db2.gz XCBCQYMEFXKNEE-CYBMUJFWSA-N 1 1 353.419 2.271 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000299525127 553575788 /nfs/dbraw/zinc/57/57/88/553575788.db2.gz DEUOFCAKHYEHON-CABCVRRESA-N 1 1 374.441 2.235 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000301251543 553635565 /nfs/dbraw/zinc/63/55/65/553635565.db2.gz BNBIZLBLTGMGDD-UHFFFAOYSA-N 1 1 355.826 2.046 20 5 FEBDMO Cc1cnc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000301426610 553650787 /nfs/dbraw/zinc/65/07/87/553650787.db2.gz HCYMASNUKRATNK-HNNXBMFYSA-N 1 1 356.430 2.316 20 5 FEBDMO Cc1cnc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000301426613 553650992 /nfs/dbraw/zinc/65/09/92/553650992.db2.gz HCYMASNUKRATNK-OAHLLOKOSA-N 1 1 356.430 2.316 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301800702 553680277 /nfs/dbraw/zinc/68/02/77/553680277.db2.gz SSTCJMZFHDIGLD-CYBMUJFWSA-N 1 1 370.475 2.165 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c(Br)c1 ZINC000301847972 553685111 /nfs/dbraw/zinc/68/51/11/553685111.db2.gz CENIOLGHDBPABY-PWSUYJOCSA-N 1 1 371.235 2.418 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c(Br)c1 ZINC000301847972 553685113 /nfs/dbraw/zinc/68/51/13/553685113.db2.gz CENIOLGHDBPABY-PWSUYJOCSA-N 1 1 371.235 2.418 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301918896 553692176 /nfs/dbraw/zinc/69/21/76/553692176.db2.gz BQDZOEOSKHJBJC-NSHDSACASA-N 1 1 361.489 2.450 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302156351 553707355 /nfs/dbraw/zinc/70/73/55/553707355.db2.gz WFNOIDGUYIYTBI-ZDUSSCGKSA-N 1 1 370.475 2.165 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000302428162 553716886 /nfs/dbraw/zinc/71/68/86/553716886.db2.gz KKZVUCPHQVNHMV-QWRGUYRKSA-N 1 1 358.236 2.249 20 5 FEBDMO Cc1cccc(NCCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000302487360 553718266 /nfs/dbraw/zinc/71/82/66/553718266.db2.gz IVQXWJDMFAAPLO-UHFFFAOYSA-N 1 1 356.430 2.317 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000508037065 561749250 /nfs/dbraw/zinc/74/92/50/561749250.db2.gz JAXBCHWJJXQWTI-UHFFFAOYSA-N 1 1 355.460 2.446 20 5 FEBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](Cc4ccccn4)CC3)c21 ZINC000509039642 561782279 /nfs/dbraw/zinc/78/22/79/561782279.db2.gz QBUVKWWIJOEXSP-UHFFFAOYSA-N 1 1 350.382 2.255 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(c3ncnc4cccc([N+](=O)[O-])c43)CC2)CCO1 ZINC000509055575 561783165 /nfs/dbraw/zinc/78/31/65/561783165.db2.gz HJXICQORAPSOJJ-ZDUSSCGKSA-N 1 1 357.414 2.228 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000331821109 554324758 /nfs/dbraw/zinc/32/47/58/554324758.db2.gz MTHBXZYNKKGIAD-JTQLQIEISA-N 1 1 372.351 2.460 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000331821109 554324759 /nfs/dbraw/zinc/32/47/59/554324759.db2.gz MTHBXZYNKKGIAD-JTQLQIEISA-N 1 1 372.351 2.460 20 5 FEBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1[N+](=O)[O-] ZINC000331906529 554344036 /nfs/dbraw/zinc/34/40/36/554344036.db2.gz KFBGKXSFOLFAFK-RKVPGOIHSA-N 1 1 350.415 2.355 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000331970918 554355268 /nfs/dbraw/zinc/35/52/68/554355268.db2.gz RRAFBGOJBYPDTG-QGZVFWFLSA-N 1 1 371.441 2.408 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C ZINC000332056206 554371428 /nfs/dbraw/zinc/37/14/28/554371428.db2.gz OSYDOFVUMZKWRX-ZIAGYGMSSA-N 1 1 362.430 2.307 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066181 554373114 /nfs/dbraw/zinc/37/31/14/554373114.db2.gz RXYOUINKONYEKF-HOCLYGCPSA-N 1 1 360.458 2.289 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000332337585 554428530 /nfs/dbraw/zinc/42/85/30/554428530.db2.gz WDZHPFVRAZPWOT-CABCVRRESA-N 1 1 370.247 2.262 20 5 FEBDMO CCOc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000332347360 554430052 /nfs/dbraw/zinc/43/00/52/554430052.db2.gz UBQMBVQELQTORQ-KGLIPLIRSA-N 1 1 363.414 2.359 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000332419764 554443328 /nfs/dbraw/zinc/44/33/28/554443328.db2.gz VZMBGVAVLIEGSM-UHFFFAOYSA-N 1 1 364.427 2.267 20 5 FEBDMO COc1ccc(NC(=O)CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000332472566 554452527 /nfs/dbraw/zinc/45/25/27/554452527.db2.gz KLDDFOQOLJVKQF-KBPBESRZSA-N 1 1 362.430 2.101 20 5 FEBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000510155264 561826674 /nfs/dbraw/zinc/82/66/74/561826674.db2.gz YKIWWBDLXFLUQX-PHIMTYICSA-N 1 1 372.219 2.405 20 5 FEBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000510155264 561826675 /nfs/dbraw/zinc/82/66/75/561826675.db2.gz YKIWWBDLXFLUQX-PHIMTYICSA-N 1 1 372.219 2.405 20 5 FEBDMO COCCN1C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)CC[C@@H]21 ZINC000332587807 554477443 /nfs/dbraw/zinc/47/74/43/554477443.db2.gz LRVRGVZEOQSUMH-XYPHTWIQSA-N 1 1 362.430 2.079 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000332631218 554487119 /nfs/dbraw/zinc/48/71/19/554487119.db2.gz UZTQIRGNXPOBMC-BZNIZROVSA-N 1 1 353.369 2.358 20 5 FEBDMO O=[N+]([O-])c1c[nH]c(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)c1 ZINC000349812610 554743622 /nfs/dbraw/zinc/74/36/22/554743622.db2.gz GMLAIJBRVZHGAT-UHFFFAOYSA-N 1 1 355.354 2.472 20 5 FEBDMO C[C@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1=CC[N@@H+](C)CC1 ZINC000511343447 561866095 /nfs/dbraw/zinc/86/60/95/561866095.db2.gz LMJRMBOQKGOXLS-ZDUSSCGKSA-N 1 1 355.398 2.161 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359895388 554856056 /nfs/dbraw/zinc/85/60/56/554856056.db2.gz HTHDOXISAHZRCZ-ZWKOTPCHSA-N 1 1 374.441 2.317 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359895388 554856058 /nfs/dbraw/zinc/85/60/58/554856058.db2.gz HTHDOXISAHZRCZ-ZWKOTPCHSA-N 1 1 374.441 2.317 20 5 FEBDMO C[N@@H+](CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)Cc1ccccc1 ZINC000511424528 561868827 /nfs/dbraw/zinc/86/88/27/561868827.db2.gz GDOJHWSBZVMUKU-UHFFFAOYSA-N 1 1 355.442 2.244 20 5 FEBDMO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361014343 554900101 /nfs/dbraw/zinc/90/01/01/554900101.db2.gz YROAZMJQZFRBIJ-SNPRPXQTSA-N 1 1 371.397 2.263 20 5 FEBDMO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361014343 554900102 /nfs/dbraw/zinc/90/01/02/554900102.db2.gz YROAZMJQZFRBIJ-SNPRPXQTSA-N 1 1 371.397 2.263 20 5 FEBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000363213116 555055110 /nfs/dbraw/zinc/05/51/10/555055110.db2.gz JLCMYHQZACMHHV-CQSZACIVSA-N 1 1 357.414 2.171 20 5 FEBDMO CN(C(=O)C[N@H+]1CCC[C@@H](c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000363213116 555055112 /nfs/dbraw/zinc/05/51/12/555055112.db2.gz JLCMYHQZACMHHV-CQSZACIVSA-N 1 1 357.414 2.171 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000363347523 555082796 /nfs/dbraw/zinc/08/27/96/555082796.db2.gz ISXFGHCWRPPBMA-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000363347523 555082800 /nfs/dbraw/zinc/08/28/00/555082800.db2.gz ISXFGHCWRPPBMA-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000363357961 555085411 /nfs/dbraw/zinc/08/54/11/555085411.db2.gz YHSDVMKYHXULSP-CYBMUJFWSA-N 1 1 359.434 2.026 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000363357961 555085413 /nfs/dbraw/zinc/08/54/13/555085413.db2.gz YHSDVMKYHXULSP-CYBMUJFWSA-N 1 1 359.434 2.026 20 5 FEBDMO O=C(CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364232891 555275392 /nfs/dbraw/zinc/27/53/92/555275392.db2.gz BVABDDNYMDRRRU-QWHCGFSZSA-N 1 1 351.378 2.421 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364245657 555277326 /nfs/dbraw/zinc/27/73/26/555277326.db2.gz OVKGLCQCASZRCA-AWEZNQCLSA-N 1 1 363.414 2.193 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364245657 555277328 /nfs/dbraw/zinc/27/73/28/555277328.db2.gz OVKGLCQCASZRCA-AWEZNQCLSA-N 1 1 363.414 2.193 20 5 FEBDMO O=C(CC[N@H+]1CCOC2(CCOCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000364257079 555279648 /nfs/dbraw/zinc/27/96/48/555279648.db2.gz BGXRLTHEYUYONY-UHFFFAOYSA-N 1 1 363.414 2.195 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc2C1 ZINC000364345427 555296125 /nfs/dbraw/zinc/29/61/25/555296125.db2.gz VLXQKIFAORVLCG-KRWDZBQOSA-N 1 1 369.425 2.013 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc2C1 ZINC000364345427 555296126 /nfs/dbraw/zinc/29/61/26/555296126.db2.gz VLXQKIFAORVLCG-KRWDZBQOSA-N 1 1 369.425 2.013 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000364504184 555325603 /nfs/dbraw/zinc/32/56/03/555325603.db2.gz GEVUDYVTIMLNAR-AWEZNQCLSA-N 1 1 353.444 2.070 20 5 FEBDMO CCCc1n[nH]c(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512409490 561903865 /nfs/dbraw/zinc/90/38/65/561903865.db2.gz NQPLAWCMYAEJPQ-UHFFFAOYSA-N 1 1 357.414 2.227 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512409490 561903866 /nfs/dbraw/zinc/90/38/66/561903866.db2.gz NQPLAWCMYAEJPQ-UHFFFAOYSA-N 1 1 357.414 2.227 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512409490 561903867 /nfs/dbraw/zinc/90/38/67/561903867.db2.gz NQPLAWCMYAEJPQ-UHFFFAOYSA-N 1 1 357.414 2.227 20 5 FEBDMO O=C1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C(=O)N1c1ccccc1 ZINC000364644812 555361740 /nfs/dbraw/zinc/36/17/40/555361740.db2.gz JKKANPCWSMNMNZ-QGZVFWFLSA-N 1 1 366.377 2.248 20 5 FEBDMO O=C1[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C(=O)N1c1ccccc1 ZINC000364644812 555361741 /nfs/dbraw/zinc/36/17/41/555361741.db2.gz JKKANPCWSMNMNZ-QGZVFWFLSA-N 1 1 366.377 2.248 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764094 555396794 /nfs/dbraw/zinc/39/67/94/555396794.db2.gz KJLPLIXAOXZJRS-OLZOCXBDSA-N 1 1 363.414 2.361 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764094 555396795 /nfs/dbraw/zinc/39/67/95/555396795.db2.gz KJLPLIXAOXZJRS-OLZOCXBDSA-N 1 1 363.414 2.361 20 5 FEBDMO CCOc1cc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000365190194 555506278 /nfs/dbraw/zinc/50/62/78/555506278.db2.gz FVXIQGLSKXERAQ-KRWDZBQOSA-N 1 1 362.474 2.205 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000365422737 555571220 /nfs/dbraw/zinc/57/12/20/555571220.db2.gz FGXUPUAKBHYTFN-UHFFFAOYSA-N 1 1 366.418 2.180 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000365427271 555572512 /nfs/dbraw/zinc/57/25/12/555572512.db2.gz ZAKSVXKTOMERRV-DZGCQCFKSA-N 1 1 365.434 2.123 20 5 FEBDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365928226 555702830 /nfs/dbraw/zinc/70/28/30/555702830.db2.gz NFGSPYLYWZSZAT-UHFFFAOYSA-N 1 1 360.418 2.365 20 5 FEBDMO O=C(C[NH+]1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000366164334 555769463 /nfs/dbraw/zinc/76/94/63/555769463.db2.gz RTFAYYVOVAGFGX-UHFFFAOYSA-N 1 1 350.394 2.233 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]CCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000514095604 561960365 /nfs/dbraw/zinc/96/03/65/561960365.db2.gz RRVIQOCTKALRJJ-QGZVFWFLSA-N 1 1 357.414 2.020 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000366948086 555979590 /nfs/dbraw/zinc/97/95/90/555979590.db2.gz VKTFEWMWHLWCNH-ACJLOTCBSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000366948086 555979592 /nfs/dbraw/zinc/97/95/92/555979592.db2.gz VKTFEWMWHLWCNH-ACJLOTCBSA-N 1 1 363.414 2.433 20 5 FEBDMO C[N@@H+](C[C@@H]1CC12CCN(c1ccc3ncc([N+](=O)[O-])n3n1)CC2)C1CC1 ZINC000367296005 556010567 /nfs/dbraw/zinc/01/05/67/556010567.db2.gz NOOLHJDHGPQABR-ZDUSSCGKSA-N 1 1 356.430 2.338 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000367648357 556104375 /nfs/dbraw/zinc/10/43/75/556104375.db2.gz HPNVDCGBEHQRLJ-UHFFFAOYSA-N 1 1 361.377 2.263 20 5 FEBDMO CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4C)C[C@@H]3C2)no1 ZINC000368212344 556250374 /nfs/dbraw/zinc/25/03/74/556250374.db2.gz MUDPLABBTFRVLA-IYBDPMFKSA-N 1 1 371.441 2.412 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000368615161 556363766 /nfs/dbraw/zinc/36/37/66/556363766.db2.gz RUXGASYMAHIHRE-IXDOHACOSA-N 1 1 364.442 2.473 20 5 FEBDMO O=C(C[N@H+]1CC[C@@H](Cc2ccncc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000368633754 556370104 /nfs/dbraw/zinc/37/01/04/556370104.db2.gz SOVHXFQIANWYBY-INIZCTEOSA-N 1 1 366.421 2.444 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662416 556377720 /nfs/dbraw/zinc/37/77/20/556377720.db2.gz ICLKXGZRMLCLPR-FSPWUOQZSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662416 556377722 /nfs/dbraw/zinc/37/77/22/556377722.db2.gz ICLKXGZRMLCLPR-FSPWUOQZSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000368671761 556381765 /nfs/dbraw/zinc/38/17/65/556381765.db2.gz JOCGKIKQQCBNGV-ZWKOTPCHSA-N 1 1 374.441 2.033 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000368671761 556381768 /nfs/dbraw/zinc/38/17/68/556381768.db2.gz JOCGKIKQQCBNGV-ZWKOTPCHSA-N 1 1 374.441 2.033 20 5 FEBDMO Cn1cc([C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000515552345 562014820 /nfs/dbraw/zinc/01/48/20/562014820.db2.gz DUCBJDJLQSRJFT-CVEARBPZSA-N 1 1 374.441 2.194 20 5 FEBDMO C[C@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCSCC1 ZINC000515721009 562020230 /nfs/dbraw/zinc/02/02/30/562020230.db2.gz WJAPUWPBNKHVMS-GFCCVEGCSA-N 1 1 362.455 2.172 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359131 556579594 /nfs/dbraw/zinc/57/95/94/556579594.db2.gz PCIAQJWHULKICT-BNOWGMLFSA-N 1 1 353.444 2.276 20 5 FEBDMO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@](=O)C1 ZINC000369367093 556581578 /nfs/dbraw/zinc/58/15/78/556581578.db2.gz VZSBKPOPIBTIQR-ZJWNCGCPSA-N 1 1 363.439 2.493 20 5 FEBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@](=O)C1 ZINC000369367093 556581579 /nfs/dbraw/zinc/58/15/79/556581579.db2.gz VZSBKPOPIBTIQR-ZJWNCGCPSA-N 1 1 363.439 2.493 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000369590379 556640523 /nfs/dbraw/zinc/64/05/23/556640523.db2.gz FUYIDDVCXORCQY-ZTFGCOKTSA-N 1 1 359.426 2.229 20 5 FEBDMO Cc1ncccc1O[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370113802 556784588 /nfs/dbraw/zinc/78/45/88/556784588.db2.gz VNBKBVOCHAPSGV-AEFFLSMTSA-N 1 1 373.409 2.191 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c3n2CCCC3)cc1OC ZINC000370285844 556830072 /nfs/dbraw/zinc/83/00/72/556830072.db2.gz QHQOVGMBHKBVBD-UHFFFAOYSA-N 1 1 374.397 2.465 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000370872594 556997501 /nfs/dbraw/zinc/99/75/01/556997501.db2.gz RTSYSXDPXCMFNV-AWEZNQCLSA-N 1 1 360.418 2.283 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000370908242 557010872 /nfs/dbraw/zinc/01/08/72/557010872.db2.gz AOXKPKCGJLQMDQ-KBXCAEBGSA-N 1 1 371.441 2.450 20 5 FEBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000371130201 557083989 /nfs/dbraw/zinc/08/39/89/557083989.db2.gz PAKJSBUVNLUQAU-AWEZNQCLSA-N 1 1 357.414 2.457 20 5 FEBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000371307045 557139674 /nfs/dbraw/zinc/13/96/74/557139674.db2.gz ADAMUSFZVQJFJM-LJQANCHMSA-N 1 1 369.425 2.446 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000371529647 557212009 /nfs/dbraw/zinc/21/20/09/557212009.db2.gz UAQUPSFBGIKLDM-UHFFFAOYSA-N 1 1 371.384 2.257 20 5 FEBDMO CCc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371811213 557300174 /nfs/dbraw/zinc/30/01/74/557300174.db2.gz UVNYUQFJOZLPGH-QGZVFWFLSA-N 1 1 369.425 2.135 20 5 FEBDMO CCc1cc(N2CC[N@H+]3CCOC[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371811213 557300176 /nfs/dbraw/zinc/30/01/76/557300176.db2.gz UVNYUQFJOZLPGH-QGZVFWFLSA-N 1 1 369.425 2.135 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000372092320 557378333 /nfs/dbraw/zinc/37/83/33/557378333.db2.gz RDXLSWSGZAQYNL-MAUKXSAKSA-N 1 1 363.458 2.283 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2ccncc2)n1 ZINC000372272596 557427636 /nfs/dbraw/zinc/42/76/36/557427636.db2.gz IHJJPOSLDRBBAN-INIZCTEOSA-N 1 1 367.413 2.424 20 5 FEBDMO CCc1n[nH]c(C(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)c1[N+](=O)[O-] ZINC000372391359 557458687 /nfs/dbraw/zinc/45/86/87/557458687.db2.gz AXISOPOWCXZTHZ-GFCCVEGCSA-N 1 1 361.446 2.217 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)c1[N+](=O)[O-] ZINC000372391359 557458688 /nfs/dbraw/zinc/45/86/88/557458688.db2.gz AXISOPOWCXZTHZ-GFCCVEGCSA-N 1 1 361.446 2.217 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)c1[N+](=O)[O-] ZINC000372391359 557458691 /nfs/dbraw/zinc/45/86/91/557458691.db2.gz AXISOPOWCXZTHZ-GFCCVEGCSA-N 1 1 361.446 2.217 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000372451920 557473943 /nfs/dbraw/zinc/47/39/43/557473943.db2.gz SDVWETNNFXGHCM-INIZCTEOSA-N 1 1 350.806 2.161 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000372451920 557473947 /nfs/dbraw/zinc/47/39/47/557473947.db2.gz SDVWETNNFXGHCM-INIZCTEOSA-N 1 1 350.806 2.161 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](n2cccn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372552733 557501908 /nfs/dbraw/zinc/50/19/08/557501908.db2.gz LODSOCMNENKFGT-INIZCTEOSA-N 1 1 355.398 2.018 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](n2cccn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372552733 557501910 /nfs/dbraw/zinc/50/19/10/557501910.db2.gz LODSOCMNENKFGT-INIZCTEOSA-N 1 1 355.398 2.018 20 5 FEBDMO CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000372951321 557595363 /nfs/dbraw/zinc/59/53/63/557595363.db2.gz WGLZXLZKKJXXPE-CVEARBPZSA-N 1 1 374.441 2.059 20 5 FEBDMO COc1cccc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373283498 557664992 /nfs/dbraw/zinc/66/49/92/557664992.db2.gz HLGNZCYAEJUJQA-UHFFFAOYSA-N 1 1 359.386 2.076 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000520123424 562149431 /nfs/dbraw/zinc/14/94/31/562149431.db2.gz AGOSPKJLLHOPQI-UHFFFAOYSA-N 1 1 355.460 2.446 20 5 FEBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373568371 557719761 /nfs/dbraw/zinc/71/97/61/557719761.db2.gz QJSSATWRKODLDW-WMZOPIPTSA-N 1 1 374.441 2.485 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000373894481 557781614 /nfs/dbraw/zinc/78/16/14/557781614.db2.gz SCZFALOJINYKLY-QMTHXVAHSA-N 1 1 362.411 2.180 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000374022343 557809850 /nfs/dbraw/zinc/80/98/50/557809850.db2.gz PFPMWINCOIEFKX-SCRDCRAPSA-N 1 1 353.444 2.370 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000374022343 557809853 /nfs/dbraw/zinc/80/98/53/557809853.db2.gz PFPMWINCOIEFKX-SCRDCRAPSA-N 1 1 353.444 2.370 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374280653 557857173 /nfs/dbraw/zinc/85/71/73/557857173.db2.gz RDOGNAMSUJQPRL-LJQANCHMSA-N 1 1 371.441 2.128 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374520285 557894347 /nfs/dbraw/zinc/89/43/47/557894347.db2.gz MOIDRSHPGPQXCS-GFCCVEGCSA-N 1 1 361.402 2.432 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374520285 557894349 /nfs/dbraw/zinc/89/43/49/557894349.db2.gz MOIDRSHPGPQXCS-GFCCVEGCSA-N 1 1 361.402 2.432 20 5 FEBDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000374849445 557940554 /nfs/dbraw/zinc/94/05/54/557940554.db2.gz DHWGRRPFFUVVMF-MQVJKMGUSA-N 1 1 369.425 2.338 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375284464 558004236 /nfs/dbraw/zinc/00/42/36/558004236.db2.gz PGLFDNBHXYWSRB-SCLBCKFNSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375284464 558004237 /nfs/dbraw/zinc/00/42/37/558004237.db2.gz PGLFDNBHXYWSRB-SCLBCKFNSA-N 1 1 363.414 2.433 20 5 FEBDMO NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000375531294 558044132 /nfs/dbraw/zinc/04/41/32/558044132.db2.gz CLMQCIMUFRWLNP-KRWDZBQOSA-N 1 1 361.423 2.136 20 5 FEBDMO COc1ccccc1[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000521995809 562188500 /nfs/dbraw/zinc/18/85/00/562188500.db2.gz KLSLXAUWNGHOOP-KBXCAEBGSA-N 1 1 372.381 2.133 20 5 FEBDMO Cn1ccnc1[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000377264837 558301714 /nfs/dbraw/zinc/30/17/14/558301714.db2.gz BLGLMFMJWDEOIT-OAHLLOKOSA-N 1 1 369.425 2.097 20 5 FEBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000377264837 558301715 /nfs/dbraw/zinc/30/17/15/558301715.db2.gz BLGLMFMJWDEOIT-OAHLLOKOSA-N 1 1 369.425 2.097 20 5 FEBDMO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000377576534 558369325 /nfs/dbraw/zinc/36/93/25/558369325.db2.gz YREXDGRKAYAVQK-UHFFFAOYSA-N 1 1 366.487 2.175 20 5 FEBDMO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000377576534 558369326 /nfs/dbraw/zinc/36/93/26/558369326.db2.gz YREXDGRKAYAVQK-UHFFFAOYSA-N 1 1 366.487 2.175 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000377837641 558432163 /nfs/dbraw/zinc/43/21/63/558432163.db2.gz PMRZMUAPHIBILB-GPMSIDNRSA-N 1 1 366.421 2.433 20 5 FEBDMO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)c1n[nH]cc1[N+](=O)[O-] ZINC000378308421 558525610 /nfs/dbraw/zinc/52/56/10/558525610.db2.gz CUDJGANJFQZNNE-UHFFFAOYSA-N 1 1 357.414 2.002 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000378365096 558539852 /nfs/dbraw/zinc/53/98/52/558539852.db2.gz HUHJBWBVGRJFLA-QGZVFWFLSA-N 1 1 374.485 2.372 20 5 FEBDMO C[C@@H]1C[NH+](CCOC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@@H](C)O1 ZINC000409717770 558715986 /nfs/dbraw/zinc/71/59/86/558715986.db2.gz SFLMMHBZXCUVGW-CHWSQXEVSA-N 1 1 370.475 2.146 20 5 FEBDMO COc1ccc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945430 562238075 /nfs/dbraw/zinc/23/80/75/562238075.db2.gz VJJZRYWSAUYPJK-HXUWFJFHSA-N 1 1 371.437 2.330 20 5 FEBDMO COc1ccc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945430 562238076 /nfs/dbraw/zinc/23/80/76/562238076.db2.gz VJJZRYWSAUYPJK-HXUWFJFHSA-N 1 1 371.437 2.330 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000525103985 562240651 /nfs/dbraw/zinc/24/06/51/562240651.db2.gz VUJCBVWOPVXTBC-NWDGAFQWSA-N 1 1 351.403 2.215 20 5 FEBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411776842 558960484 /nfs/dbraw/zinc/96/04/84/558960484.db2.gz YFAITWJXSRKYFA-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO COCC(COC)[NH+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000411868062 558978750 /nfs/dbraw/zinc/97/87/50/558978750.db2.gz XWRDBDFLVLUQSW-OAHLLOKOSA-N 1 1 351.447 2.243 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411929986 558990143 /nfs/dbraw/zinc/99/01/43/558990143.db2.gz YKZAEGZXWSSFSW-LZLYRXPVSA-N 1 1 358.394 2.142 20 5 FEBDMO NC(=O)[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1c1ccccc1 ZINC000411968087 558996931 /nfs/dbraw/zinc/99/69/31/558996931.db2.gz FNFALVHFSMVVEF-LSDHHAIUSA-N 1 1 366.377 2.437 20 5 FEBDMO COc1ccc(C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000411968590 558997099 /nfs/dbraw/zinc/99/70/99/558997099.db2.gz ORRHTOUUICMEKM-IBGZPJMESA-N 1 1 355.394 2.232 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1F ZINC000412121377 559015427 /nfs/dbraw/zinc/01/54/27/559015427.db2.gz FIOKNKOXXLNAJU-NEPJUHHUSA-N 1 1 353.394 2.226 20 5 FEBDMO CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000412145845 559016915 /nfs/dbraw/zinc/01/69/15/559016915.db2.gz JKOBTECLCZKSRL-IPMKNSEASA-N 1 1 374.485 2.087 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1F ZINC000412188777 559018950 /nfs/dbraw/zinc/01/89/50/559018950.db2.gz CAMDFCMARCMNJS-OCCSQVGLSA-N 1 1 365.405 2.228 20 5 FEBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1c([N+](=O)[O-])ncn1C ZINC000413532749 559114663 /nfs/dbraw/zinc/11/46/63/559114663.db2.gz NJRFEMIIYUDCKP-HZPDHXFCSA-N 1 1 359.430 2.277 20 5 FEBDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000526999066 562272658 /nfs/dbraw/zinc/27/26/58/562272658.db2.gz NMJLUXZKAZFJRM-UHFFFAOYSA-N 1 1 354.370 2.061 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409010 559310869 /nfs/dbraw/zinc/31/08/69/559310869.db2.gz TVJMLSKDQGJGHW-ZIAGYGMSSA-N 1 1 355.460 2.172 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000416731570 559330383 /nfs/dbraw/zinc/33/03/83/559330383.db2.gz JRNCBKHYTQAOIB-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000416731570 559330384 /nfs/dbraw/zinc/33/03/84/559330384.db2.gz JRNCBKHYTQAOIB-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000420482726 559489805 /nfs/dbraw/zinc/48/98/05/559489805.db2.gz UXPRDONYBKQSHA-INIZCTEOSA-N 1 1 361.423 2.238 20 5 FEBDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000420921516 559511353 /nfs/dbraw/zinc/51/13/53/559511353.db2.gz DBHYXHPOKDZEEY-ROUUACIJSA-N 1 1 362.405 2.389 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421015626 559519534 /nfs/dbraw/zinc/51/95/34/559519534.db2.gz LPSIPUUBCSTCPS-CQSZACIVSA-N 1 1 363.414 2.377 20 5 FEBDMO Cc1c([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423374031 559627038 /nfs/dbraw/zinc/62/70/38/559627038.db2.gz CFKIUGFEUJQKSU-IUODEOHRSA-N 1 1 360.380 2.390 20 5 FEBDMO Cn1ccnc1[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000423544100 559631644 /nfs/dbraw/zinc/63/16/44/559631644.db2.gz NZOAAWWEYCIETF-LISAXSMJSA-N 1 1 355.442 2.395 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425475899 559704374 /nfs/dbraw/zinc/70/43/74/559704374.db2.gz MOAKAUPDMYAEHI-NSHDSACASA-N 1 1 356.220 2.267 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425475899 559704375 /nfs/dbraw/zinc/70/43/75/559704375.db2.gz MOAKAUPDMYAEHI-NSHDSACASA-N 1 1 356.220 2.267 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000427922106 559765270 /nfs/dbraw/zinc/76/52/70/559765270.db2.gz AIRSUKZPLQCMGJ-ZDUSSCGKSA-N 1 1 372.425 2.401 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428024683 559767602 /nfs/dbraw/zinc/76/76/02/559767602.db2.gz PAUCKQVAVAEALP-ZDUSSCGKSA-N 1 1 360.414 2.368 20 5 FEBDMO CSC[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000429297197 559795170 /nfs/dbraw/zinc/79/51/70/559795170.db2.gz CTJVDRDDFNIART-NSHDSACASA-N 1 1 367.427 2.337 20 5 FEBDMO CSC[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000429297197 559795171 /nfs/dbraw/zinc/79/51/71/559795171.db2.gz CTJVDRDDFNIART-NSHDSACASA-N 1 1 367.427 2.337 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433061222 559870850 /nfs/dbraw/zinc/87/08/50/559870850.db2.gz OKDGDFCVYXHTFP-KDOFPFPSSA-N 1 1 357.410 2.457 20 5 FEBDMO COc1ccc(CNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)cc1[N+](=O)[O-] ZINC000433191409 559872940 /nfs/dbraw/zinc/87/29/40/559872940.db2.gz UYVODNDFKSLFDV-UHFFFAOYSA-N 1 1 370.409 2.059 20 5 FEBDMO COc1ccc(CNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)cc1[N+](=O)[O-] ZINC000433191409 559872941 /nfs/dbraw/zinc/87/29/41/559872941.db2.gz UYVODNDFKSLFDV-UHFFFAOYSA-N 1 1 370.409 2.059 20 5 FEBDMO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000435060596 559915492 /nfs/dbraw/zinc/91/54/92/559915492.db2.gz ZMCRASUOBZNKDF-LBPRGKRZSA-N 1 1 359.373 2.349 20 5 FEBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000435060596 559915493 /nfs/dbraw/zinc/91/54/93/559915493.db2.gz ZMCRASUOBZNKDF-LBPRGKRZSA-N 1 1 359.373 2.349 20 5 FEBDMO CC(C)c1ncc(C[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000440473553 560011700 /nfs/dbraw/zinc/01/17/00/560011700.db2.gz XZTSWFLZWVXTOE-INIZCTEOSA-N 1 1 360.414 2.380 20 5 FEBDMO CC(C)c1ncc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000440473553 560011701 /nfs/dbraw/zinc/01/17/01/560011701.db2.gz XZTSWFLZWVXTOE-INIZCTEOSA-N 1 1 360.414 2.380 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442109793 560044267 /nfs/dbraw/zinc/04/42/67/560044267.db2.gz IOOCZSWKMQCUGI-MJBXVCDLSA-N 1 1 355.460 2.240 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000443972001 560097831 /nfs/dbraw/zinc/09/78/31/560097831.db2.gz LRXZNKGKGMEFJG-UHFFFAOYSA-N 1 1 355.460 2.304 20 5 FEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445995158 560138064 /nfs/dbraw/zinc/13/80/64/560138064.db2.gz YGWFJTXIBBNHFE-GFCCVEGCSA-N 1 1 356.220 2.110 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000446904668 560153323 /nfs/dbraw/zinc/15/33/23/560153323.db2.gz BSOHQTADJHTNRT-STQMWFEESA-N 1 1 374.445 2.485 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447932947 560173702 /nfs/dbraw/zinc/17/37/02/560173702.db2.gz RWKPLTJGKYVUQR-HNNXBMFYSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447932947 560173703 /nfs/dbraw/zinc/17/37/03/560173703.db2.gz RWKPLTJGKYVUQR-HNNXBMFYSA-N 1 1 371.459 2.002 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000448354523 560185210 /nfs/dbraw/zinc/18/52/10/560185210.db2.gz KMNHQJUERAZQMU-ZFWWWQNUSA-N 1 1 366.414 2.272 20 5 FEBDMO Cc1c(Br)c(N[C@@H]2CCC[N@H+](CCCO)C2)ncc1[N+](=O)[O-] ZINC000450614943 560268022 /nfs/dbraw/zinc/26/80/22/560268022.db2.gz NPRSRWJJULGYQV-LLVKDONJSA-N 1 1 373.251 2.319 20 5 FEBDMO Cc1c(Br)c(N[C@@H]2CCC[N@@H+](CCCO)C2)ncc1[N+](=O)[O-] ZINC000450614943 560268023 /nfs/dbraw/zinc/26/80/23/560268023.db2.gz NPRSRWJJULGYQV-LLVKDONJSA-N 1 1 373.251 2.319 20 5 FEBDMO Cc1nn(C)cc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450735412 560271710 /nfs/dbraw/zinc/27/17/10/560271710.db2.gz FOCCNOUXBRLQMG-UHFFFAOYSA-N 1 1 369.429 2.225 20 5 FEBDMO C[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000450806765 560274102 /nfs/dbraw/zinc/27/41/02/560274102.db2.gz FUMBRTDIQXUPRO-AWEZNQCLSA-N 1 1 369.425 2.047 20 5 FEBDMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551273 560314142 /nfs/dbraw/zinc/31/41/42/560314142.db2.gz UDCXSJSRXQDVAF-UKRRQHHQSA-N 1 1 362.430 2.397 20 5 FEBDMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551273 560314143 /nfs/dbraw/zinc/31/41/43/560314143.db2.gz UDCXSJSRXQDVAF-UKRRQHHQSA-N 1 1 362.430 2.397 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000451776316 560328046 /nfs/dbraw/zinc/32/80/46/560328046.db2.gz GPVLJLYTNYEAGN-GFCCVEGCSA-N 1 1 353.419 2.271 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878520 560334080 /nfs/dbraw/zinc/33/40/80/560334080.db2.gz NERCRWUGTPCBRU-RHSMWYFYSA-N 1 1 370.413 2.256 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878520 560334081 /nfs/dbraw/zinc/33/40/81/560334081.db2.gz NERCRWUGTPCBRU-RHSMWYFYSA-N 1 1 370.413 2.256 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878622 560334088 /nfs/dbraw/zinc/33/40/88/560334088.db2.gz NERCRWUGTPCBRU-YOEHRIQHSA-N 1 1 370.413 2.256 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878622 560334089 /nfs/dbraw/zinc/33/40/89/560334089.db2.gz NERCRWUGTPCBRU-YOEHRIQHSA-N 1 1 370.413 2.256 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452095468 560350918 /nfs/dbraw/zinc/35/09/18/560350918.db2.gz KWKXFLDVPAJFTJ-LBPRGKRZSA-N 1 1 361.851 2.351 20 5 FEBDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(NC)n3)sc2C1 ZINC000454398960 560442979 /nfs/dbraw/zinc/44/29/79/560442979.db2.gz WYPLSSULTSBCOA-UHFFFAOYSA-N 1 1 362.415 2.118 20 5 FEBDMO CC[N@H+]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])c(NC)n3)sc2C1 ZINC000454398960 560442980 /nfs/dbraw/zinc/44/29/80/560442980.db2.gz WYPLSSULTSBCOA-UHFFFAOYSA-N 1 1 362.415 2.118 20 5 FEBDMO CNc1nc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454692566 560454672 /nfs/dbraw/zinc/45/46/72/560454672.db2.gz NXQQFYHLGWBXNL-OAHLLOKOSA-N 1 1 369.425 2.426 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455600213 560488712 /nfs/dbraw/zinc/48/87/12/560488712.db2.gz AXIOCNDQJAVVOI-CQSZACIVSA-N 1 1 369.425 2.378 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000455600213 560488713 /nfs/dbraw/zinc/48/87/13/560488713.db2.gz AXIOCNDQJAVVOI-CQSZACIVSA-N 1 1 369.425 2.378 20 5 FEBDMO CNc1nc(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915707 560500048 /nfs/dbraw/zinc/50/00/48/560500048.db2.gz NLOGKJOBNBOGTB-ZFWWWQNUSA-N 1 1 369.425 2.424 20 5 FEBDMO CNc1nc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456034675 560505147 /nfs/dbraw/zinc/50/51/47/560505147.db2.gz WAJOLBVGVHCOMS-HNNXBMFYSA-N 1 1 369.425 2.283 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000456343298 560516311 /nfs/dbraw/zinc/51/63/11/560516311.db2.gz CQIHIIDOKGVMMW-AWEZNQCLSA-N 1 1 357.414 2.337 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000456343298 560516312 /nfs/dbraw/zinc/51/63/12/560516312.db2.gz CQIHIIDOKGVMMW-AWEZNQCLSA-N 1 1 357.414 2.337 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000457065501 560546549 /nfs/dbraw/zinc/54/65/49/560546549.db2.gz XKOPEKLYVQUWNK-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460128865 560735803 /nfs/dbraw/zinc/73/58/03/560735803.db2.gz GYZZNHJZAQJAAF-CABCVRRESA-N 1 1 360.414 2.126 20 5 FEBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCOc3ccc([N+](=O)[O-])cc3C1)C2 ZINC000461404306 560770130 /nfs/dbraw/zinc/77/01/30/560770130.db2.gz CZROTACKLVNCBY-ZDUSSCGKSA-N 1 1 356.382 2.083 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000465355753 560863956 /nfs/dbraw/zinc/86/39/56/560863956.db2.gz WHVZQBVVDWJCDW-UHFFFAOYSA-N 1 1 372.381 2.356 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984001 560877634 /nfs/dbraw/zinc/87/76/34/560877634.db2.gz RVISQRFZJPNVPE-CABCVRRESA-N 1 1 363.462 2.487 20 5 FEBDMO CCOC(=O)c1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000467779503 560917102 /nfs/dbraw/zinc/91/71/02/560917102.db2.gz AWPPAYXAUIDSBX-QWHCGFSZSA-N 1 1 351.403 2.293 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000468463282 560930546 /nfs/dbraw/zinc/93/05/46/560930546.db2.gz ZPBGADGQBSZKMK-INIZCTEOSA-N 1 1 365.430 2.462 20 5 FEBDMO CC[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000470129805 560974916 /nfs/dbraw/zinc/97/49/16/560974916.db2.gz AOIFOWRIDSHVPE-BLLLJJGKSA-N 1 1 366.393 2.308 20 5 FEBDMO CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471568404 561007438 /nfs/dbraw/zinc/00/74/38/561007438.db2.gz ZDQYFQGPRMJHCG-WMZOPIPTSA-N 1 1 372.425 2.332 20 5 FEBDMO CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471568404 561007439 /nfs/dbraw/zinc/00/74/39/561007439.db2.gz ZDQYFQGPRMJHCG-WMZOPIPTSA-N 1 1 372.425 2.332 20 5 FEBDMO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473362603 561048424 /nfs/dbraw/zinc/04/84/24/561048424.db2.gz QKZYIRLIAICSFG-WBVHZDCISA-N 1 1 372.425 2.332 20 5 FEBDMO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473362603 561048425 /nfs/dbraw/zinc/04/84/25/561048425.db2.gz QKZYIRLIAICSFG-WBVHZDCISA-N 1 1 372.425 2.332 20 5 FEBDMO CC[N@@H+]1CCCC[C@@H]1CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474358415 561071970 /nfs/dbraw/zinc/07/19/70/561071970.db2.gz VRXVSQAFJDJOFA-OAHLLOKOSA-N 1 1 365.430 2.111 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474358415 561071971 /nfs/dbraw/zinc/07/19/71/561071971.db2.gz VRXVSQAFJDJOFA-OAHLLOKOSA-N 1 1 365.430 2.111 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)CCc2ccncc2)cc1[N+](=O)[O-] ZINC000475113181 561090835 /nfs/dbraw/zinc/09/08/35/561090835.db2.gz YQJOXELWFVPZQE-UHFFFAOYSA-N 1 1 359.382 2.216 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000475580457 561100331 /nfs/dbraw/zinc/10/03/31/561100331.db2.gz FJGBKHVHXJYIOH-CQSZACIVSA-N 1 1 364.398 2.148 20 5 FEBDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000476131047 561111767 /nfs/dbraw/zinc/11/17/67/561111767.db2.gz CPPTVQKIZOQTMU-UHFFFAOYSA-N 1 1 368.397 2.103 20 5 FEBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476812852 561128948 /nfs/dbraw/zinc/12/89/48/561128948.db2.gz DIAUCVXIXSAVIH-OAHLLOKOSA-N 1 1 359.430 2.215 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000477021441 561134442 /nfs/dbraw/zinc/13/44/42/561134442.db2.gz AIAANPGTIMVSSS-HOCLYGCPSA-N 1 1 371.441 2.453 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000530500135 562413759 /nfs/dbraw/zinc/41/37/59/562413759.db2.gz SEJGTQRGHSVUCN-TXEJJXNPSA-N 1 1 354.428 2.472 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000530500135 562413760 /nfs/dbraw/zinc/41/37/60/562413760.db2.gz SEJGTQRGHSVUCN-TXEJJXNPSA-N 1 1 354.428 2.472 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000532574773 562481953 /nfs/dbraw/zinc/48/19/53/562481953.db2.gz MFTHGILJWRIVTO-AWEZNQCLSA-N 1 1 373.409 2.425 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000532574773 562481954 /nfs/dbraw/zinc/48/19/54/562481954.db2.gz MFTHGILJWRIVTO-AWEZNQCLSA-N 1 1 373.409 2.425 20 5 FEBDMO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532588949 562482570 /nfs/dbraw/zinc/48/25/70/562482570.db2.gz ZDEUSCIYVLLDPN-UHFFFAOYSA-N 1 1 351.403 2.247 20 5 FEBDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000532588949 562482571 /nfs/dbraw/zinc/48/25/71/562482571.db2.gz ZDEUSCIYVLLDPN-UHFFFAOYSA-N 1 1 351.403 2.247 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000532943705 562493293 /nfs/dbraw/zinc/49/32/93/562493293.db2.gz AMKDDVZINYCRPQ-CQSZACIVSA-N 1 1 362.430 2.209 20 5 FEBDMO O=C(C1CC1)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000532963246 562494028 /nfs/dbraw/zinc/49/40/28/562494028.db2.gz AMIXYWSPSJMKHJ-UHFFFAOYSA-N 1 1 370.409 2.347 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000535292796 562555217 /nfs/dbraw/zinc/55/52/17/562555217.db2.gz HSWNWNPGXYGJFD-SFHVURJKSA-N 1 1 369.425 2.493 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000535292796 562555218 /nfs/dbraw/zinc/55/52/18/562555218.db2.gz HSWNWNPGXYGJFD-SFHVURJKSA-N 1 1 369.425 2.493 20 5 FEBDMO CC1CCC(O)(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000550112319 562642822 /nfs/dbraw/zinc/64/28/22/562642822.db2.gz FXOMVSCOWKEJPX-UHFFFAOYSA-N 1 1 361.442 2.294 20 5 FEBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000568577189 568058650 /nfs/dbraw/zinc/05/86/50/568058650.db2.gz ZTBNFZULYFRILE-CJNGLKHVSA-N 1 1 362.430 2.228 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](C)C[NH+]1CCOCC1 ZINC000557585878 674455584 /nfs/dbraw/zinc/45/55/84/674455584.db2.gz TUAKYWBENWOTLT-LBPRGKRZSA-N 1 1 351.403 2.070 20 5 FEBDMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)NC(=O)NC1=O ZINC000809705145 674506211 /nfs/dbraw/zinc/50/62/11/674506211.db2.gz OVQDBYBLSVXCRX-BDJLRTHQSA-N 1 1 366.805 2.201 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000559467619 674544371 /nfs/dbraw/zinc/54/43/71/674544371.db2.gz RQRHCYYMLXDRAJ-CVEARBPZSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000559467619 674544373 /nfs/dbraw/zinc/54/43/73/674544373.db2.gz RQRHCYYMLXDRAJ-CVEARBPZSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000824563843 608563195 /nfs/dbraw/zinc/56/31/95/608563195.db2.gz QQVZSPBVFFGJKC-SECBINFHSA-N 1 1 373.398 2.126 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812323597 674666169 /nfs/dbraw/zinc/66/61/69/674666169.db2.gz LMWYRQLUISXYRH-XQQFMLRXSA-N 1 1 367.833 2.426 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815014707 674896453 /nfs/dbraw/zinc/89/64/53/674896453.db2.gz YSFFDWQDWREGOE-VIFPVBQESA-N 1 1 365.814 2.007 20 5 FEBDMO C[C@@H](CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000564873492 675070866 /nfs/dbraw/zinc/07/08/66/675070866.db2.gz OZPIQRXHWTZCTQ-DOTOQJQBSA-N 1 1 351.447 2.189 20 5 FEBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000068964654 670478428 /nfs/dbraw/zinc/47/84/28/670478428.db2.gz HTXFNKDJRFYQKM-IUODEOHRSA-N 1 1 351.451 2.382 20 5 FEBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000068964654 670478430 /nfs/dbraw/zinc/47/84/30/670478430.db2.gz HTXFNKDJRFYQKM-IUODEOHRSA-N 1 1 351.451 2.382 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000092992946 670746922 /nfs/dbraw/zinc/74/69/22/670746922.db2.gz KLAPRCVSOPPMMW-GFCCVEGCSA-N 1 1 359.423 2.195 20 5 FEBDMO Cc1c(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000108325594 670828682 /nfs/dbraw/zinc/82/86/82/670828682.db2.gz LPOQDODQZPUITG-GFCCVEGCSA-N 1 1 350.375 2.191 20 5 FEBDMO CCCc1nc(C)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000576272006 671356886 /nfs/dbraw/zinc/35/68/86/671356886.db2.gz OBARZJLMOWYCCP-UHFFFAOYSA-N 1 1 367.427 2.407 20 5 FEBDMO C[C@H](C[C@H](C)[NH3+])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000578322828 671657027 /nfs/dbraw/zinc/65/70/27/671657027.db2.gz MZUFGLCIWQEMSM-NKWVEPMBSA-N 1 1 356.231 2.306 20 5 FEBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC(O)C1 ZINC000580247982 671792499 /nfs/dbraw/zinc/79/24/99/671792499.db2.gz YFVDYQNVIDKDJB-UHFFFAOYSA-N 1 1 362.167 2.155 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000119345679 671897354 /nfs/dbraw/zinc/89/73/54/671897354.db2.gz WNLNMWRMJLJHCS-ZDUSSCGKSA-N 1 1 373.431 2.377 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000119618236 671903446 /nfs/dbraw/zinc/90/34/46/671903446.db2.gz IIDLTXITJQLACQ-ZDUSSCGKSA-N 1 1 373.431 2.377 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000134639258 672124925 /nfs/dbraw/zinc/12/49/25/672124925.db2.gz AIXAUCRMMOSJGJ-QWHCGFSZSA-N 1 1 353.423 2.169 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000585800619 672236361 /nfs/dbraw/zinc/23/63/61/672236361.db2.gz CCYFYHFWSUCYMB-KURKYZTESA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000585800619 672236363 /nfs/dbraw/zinc/23/63/63/672236363.db2.gz CCYFYHFWSUCYMB-KURKYZTESA-N 1 1 350.415 2.226 20 5 FEBDMO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000162464594 672304423 /nfs/dbraw/zinc/30/44/23/672304423.db2.gz HUZQTXQGMQIBAW-AWEZNQCLSA-N 1 1 352.391 2.440 20 5 FEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178867411 672396182 /nfs/dbraw/zinc/39/61/82/672396182.db2.gz GCADPCNPLAQSJJ-DZGCQCFKSA-N 1 1 351.403 2.227 20 5 FEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000178867411 672396186 /nfs/dbraw/zinc/39/61/86/672396186.db2.gz GCADPCNPLAQSJJ-DZGCQCFKSA-N 1 1 351.403 2.227 20 5 FEBDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000588973890 672497175 /nfs/dbraw/zinc/49/71/75/672497175.db2.gz KHANMDCOTNFHLF-AWEZNQCLSA-N 1 1 369.487 2.477 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000589930776 672548784 /nfs/dbraw/zinc/54/87/84/672548784.db2.gz LDUQFSJHEMSSHV-ZDUSSCGKSA-N 1 1 367.471 2.398 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000590045983 672556079 /nfs/dbraw/zinc/55/60/79/672556079.db2.gz ZJDCEWQOQCNUPU-NOZJJQNGSA-N 1 1 354.204 2.133 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590442727 672582828 /nfs/dbraw/zinc/58/28/28/672582828.db2.gz GUXMFSXNBNVGEV-MISXGVKJSA-N 1 1 353.806 2.178 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000590590634 672593924 /nfs/dbraw/zinc/59/39/24/672593924.db2.gz HGJRBNQNGFRSGE-LBPRGKRZSA-N 1 1 359.423 2.005 20 5 FEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COC[C@H]1CCCO1 ZINC000249351300 672869811 /nfs/dbraw/zinc/86/98/11/672869811.db2.gz WPAJLDIIURZWLG-LSDHHAIUSA-N 1 1 358.822 2.237 20 5 FEBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COC[C@H]1CCCO1 ZINC000249351300 672869817 /nfs/dbraw/zinc/86/98/17/672869817.db2.gz WPAJLDIIURZWLG-LSDHHAIUSA-N 1 1 358.822 2.237 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061665 672870253 /nfs/dbraw/zinc/87/02/53/672870253.db2.gz KYBDYGLEZPBEPE-CHWSQXEVSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000594788723 673142544 /nfs/dbraw/zinc/14/25/44/673142544.db2.gz GXKFUNHAJFEAFP-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000594788723 673142546 /nfs/dbraw/zinc/14/25/46/673142546.db2.gz GXKFUNHAJFEAFP-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595294902 673217836 /nfs/dbraw/zinc/21/78/36/673217836.db2.gz UHYSGJZAAUYCJR-JSGCOSHPSA-N 1 1 353.394 2.097 20 5 FEBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295059 673217867 /nfs/dbraw/zinc/21/78/67/673217867.db2.gz DDUKKSUQCQQLHM-AWEZNQCLSA-N 1 1 359.423 2.028 20 5 FEBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295059 673217869 /nfs/dbraw/zinc/21/78/69/673217869.db2.gz DDUKKSUQCQQLHM-AWEZNQCLSA-N 1 1 359.423 2.028 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000595411915 673246045 /nfs/dbraw/zinc/24/60/45/673246045.db2.gz PMFCMNIIVJSWJD-UHFFFAOYSA-N 1 1 371.434 2.134 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462579348 673265157 /nfs/dbraw/zinc/26/51/57/673265157.db2.gz VRCHWLDEYAFFNO-OAHLLOKOSA-N 1 1 367.471 2.446 20 5 FEBDMO COC[C@@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)OC ZINC000595562893 673267330 /nfs/dbraw/zinc/26/73/30/673267330.db2.gz MWEYGRAYVVKGGZ-BRWVUGGUSA-N 1 1 352.431 2.362 20 5 FEBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000536683876 673375718 /nfs/dbraw/zinc/37/57/18/673375718.db2.gz VVAQZZVZWDFROD-GFCCVEGCSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000536683876 673375719 /nfs/dbraw/zinc/37/57/19/673375719.db2.gz VVAQZZVZWDFROD-GFCCVEGCSA-N 1 1 365.411 2.108 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000537659010 673399910 /nfs/dbraw/zinc/39/99/10/673399910.db2.gz PKCFBQJAXMHTLJ-AWEZNQCLSA-N 1 1 355.460 2.232 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000537659010 673399913 /nfs/dbraw/zinc/39/99/13/673399913.db2.gz PKCFBQJAXMHTLJ-AWEZNQCLSA-N 1 1 355.460 2.232 20 5 FEBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1CCCO1 ZINC000538707296 673453425 /nfs/dbraw/zinc/45/34/25/673453425.db2.gz ROGDJYLOXXZKGK-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000734310014 673460025 /nfs/dbraw/zinc/46/00/25/673460025.db2.gz TVLMHIUFWGMSLU-INIZCTEOSA-N 1 1 363.487 2.003 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693056 673499664 /nfs/dbraw/zinc/49/96/64/673499664.db2.gz ADLSFRBSWQXUGP-HOTGVXAUSA-N 1 1 365.455 2.009 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000539727920 673503150 /nfs/dbraw/zinc/50/31/50/673503150.db2.gz DBWMQNZAGGIDCE-WMZOPIPTSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000540021652 673519916 /nfs/dbraw/zinc/51/99/16/673519916.db2.gz VGPOVCREMNAHTG-MNOVXSKESA-N 1 1 370.247 2.451 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c(C)c1[N+](=O)[O-] ZINC000598619343 673591290 /nfs/dbraw/zinc/59/12/90/673591290.db2.gz OFRPPRZJNMHDKL-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598733434 673604244 /nfs/dbraw/zinc/60/42/44/673604244.db2.gz DLKPASNNVNYKRU-NSHDSACASA-N 1 1 366.443 2.331 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599544407 673690127 /nfs/dbraw/zinc/69/01/27/673690127.db2.gz GAHCWBWFVYNKJD-MRXNPFEDSA-N 1 1 350.415 2.357 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000599632725 673699708 /nfs/dbraw/zinc/69/97/08/673699708.db2.gz BWNYYAYYXBGZOG-CVEARBPZSA-N 1 1 354.428 2.015 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000599632725 673699712 /nfs/dbraw/zinc/69/97/12/673699712.db2.gz BWNYYAYYXBGZOG-CVEARBPZSA-N 1 1 354.428 2.015 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCCF)CC2)cc1SC ZINC000600072540 673738546 /nfs/dbraw/zinc/73/85/46/673738546.db2.gz XCPJCNBDQLCWTO-UHFFFAOYSA-N 1 1 371.434 2.443 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000601372461 673850473 /nfs/dbraw/zinc/85/04/73/673850473.db2.gz YTWQAANKXQWOMY-VXGBXAGGSA-N 1 1 359.473 2.070 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375555 673851241 /nfs/dbraw/zinc/85/12/41/673851241.db2.gz XPJRTNURKPBGLM-TZMCWYRMSA-N 1 1 371.434 2.147 20 5 FEBDMO CO[C@@](C)(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 ZINC000602448437 673906358 /nfs/dbraw/zinc/90/63/58/673906358.db2.gz UCXZJGSDEKRLFT-INIZCTEOSA-N 1 1 353.444 2.229 20 5 FEBDMO COc1cc(C[NH+]2CCC(CCO)(CCO)CC2)c([N+](=O)[O-])cc1F ZINC000602966029 673914782 /nfs/dbraw/zinc/91/47/82/673914782.db2.gz VCIFMXNDXZHQPX-UHFFFAOYSA-N 1 1 356.394 2.090 20 5 FEBDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000548453581 673959960 /nfs/dbraw/zinc/95/99/60/673959960.db2.gz UONZFYDOXDESCY-OAHLLOKOSA-N 1 1 351.451 2.131 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C2)C1 ZINC000818178958 675202903 /nfs/dbraw/zinc/20/29/03/675202903.db2.gz VTWGODNIRFABOO-MRXNPFEDSA-N 1 1 361.427 2.157 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC12COC2 ZINC000824489662 675606133 /nfs/dbraw/zinc/60/61/33/675606133.db2.gz OETGYFRHYQXERO-ZDUSSCGKSA-N 1 1 354.790 2.260 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC12COC2 ZINC000824489662 675606134 /nfs/dbraw/zinc/60/61/34/675606134.db2.gz OETGYFRHYQXERO-ZDUSSCGKSA-N 1 1 354.790 2.260 20 5 FEBDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000824951299 675630681 /nfs/dbraw/zinc/63/06/81/675630681.db2.gz UTJBEPUPCDBDSL-OLZOCXBDSA-N 1 1 369.849 2.406 20 5 FEBDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000824951299 675630683 /nfs/dbraw/zinc/63/06/83/675630683.db2.gz UTJBEPUPCDBDSL-OLZOCXBDSA-N 1 1 369.849 2.406 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000619476570 676379336 /nfs/dbraw/zinc/37/93/36/676379336.db2.gz MSRFFEFBKFLRLL-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO COC(=O)[C@@H](C)C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839481699 680755548 /nfs/dbraw/zinc/75/55/48/680755548.db2.gz PEAMLWYMNBTJAO-JTQLQIEISA-N 1 1 369.805 2.460 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839481699 680755551 /nfs/dbraw/zinc/75/55/51/680755551.db2.gz PEAMLWYMNBTJAO-JTQLQIEISA-N 1 1 369.805 2.460 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000839529043 680759595 /nfs/dbraw/zinc/75/95/95/680759595.db2.gz UUOBORCWPWVUCK-WDEREUQCSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000839529043 680759597 /nfs/dbraw/zinc/75/95/97/680759597.db2.gz UUOBORCWPWVUCK-WDEREUQCSA-N 1 1 368.821 2.128 20 5 FEBDMO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000764233699 680803407 /nfs/dbraw/zinc/80/34/07/680803407.db2.gz AHFLQQYJAUSZAR-CYBMUJFWSA-N 1 1 370.475 2.297 20 5 FEBDMO C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000764233699 680803408 /nfs/dbraw/zinc/80/34/08/680803408.db2.gz AHFLQQYJAUSZAR-CYBMUJFWSA-N 1 1 370.475 2.297 20 5 FEBDMO CCN1CCC([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000753917126 680324632 /nfs/dbraw/zinc/32/46/32/680324632.db2.gz IZHGCYFQVQABCX-UHFFFAOYSA-N 1 1 352.410 2.479 20 5 FEBDMO Cc1nsc(C)c1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964588 680394556 /nfs/dbraw/zinc/39/45/56/680394556.db2.gz PZQMUPGCNKKJPT-GDBMZVCRSA-N 1 1 366.487 2.096 20 5 FEBDMO Cc1nsc(C)c1C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964588 680394559 /nfs/dbraw/zinc/39/45/59/680394559.db2.gz PZQMUPGCNKKJPT-GDBMZVCRSA-N 1 1 366.487 2.096 20 5 FEBDMO Cc1nsc(C)c1C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964588 680394564 /nfs/dbraw/zinc/39/45/64/680394564.db2.gz PZQMUPGCNKKJPT-GDBMZVCRSA-N 1 1 366.487 2.096 20 5 FEBDMO C[N@@H+](CCCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000836127906 680424735 /nfs/dbraw/zinc/42/47/35/680424735.db2.gz QTTXLWBWGVQFJU-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO C[N@@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430688 680447750 /nfs/dbraw/zinc/44/77/50/680447750.db2.gz IDQVCWIZCDADJG-HZPDHXFCSA-N 1 1 351.834 2.428 20 5 FEBDMO C[N@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430688 680447754 /nfs/dbraw/zinc/44/77/54/680447754.db2.gz IDQVCWIZCDADJG-HZPDHXFCSA-N 1 1 351.834 2.428 20 5 FEBDMO C[N@@H+](Cc1cccc(Cl)c1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430688 680447758 /nfs/dbraw/zinc/44/77/58/680447758.db2.gz IDQVCWIZCDADJG-HZPDHXFCSA-N 1 1 351.834 2.428 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCCCCN2CC[NH+](C)CC2)cc1Cl ZINC000836367470 680458616 /nfs/dbraw/zinc/45/86/16/680458616.db2.gz DBIUYWIGCUELTE-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](Cc2nccs2)CC2CC2)CC1 ZINC001039485943 680463971 /nfs/dbraw/zinc/46/39/71/680463971.db2.gz VQONNHGQSBTXJH-HUUCEWRRSA-N 1 1 364.471 2.011 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](Cc2nccs2)CC2CC2)CC1 ZINC001039485943 680463974 /nfs/dbraw/zinc/46/39/74/680463974.db2.gz VQONNHGQSBTXJH-HUUCEWRRSA-N 1 1 364.471 2.011 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](Cc2nccs2)CC2CC2)CC1 ZINC001039485943 680463975 /nfs/dbraw/zinc/46/39/75/680463975.db2.gz VQONNHGQSBTXJH-HUUCEWRRSA-N 1 1 364.471 2.011 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836599889 680487928 /nfs/dbraw/zinc/48/79/28/680487928.db2.gz NXCDEPPRRCFAMF-LLVKDONJSA-N 1 1 356.810 2.217 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1Cl ZINC000836790754 680514629 /nfs/dbraw/zinc/51/46/29/680514629.db2.gz KJVFPYTXHLUUGX-LBPRGKRZSA-N 1 1 355.822 2.133 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841549729 680895944 /nfs/dbraw/zinc/89/59/44/680895944.db2.gz QOTGNWLAVWFOOU-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841596703 680902784 /nfs/dbraw/zinc/90/27/84/680902784.db2.gz UVFWZSVJPHSHQA-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841596703 680902785 /nfs/dbraw/zinc/90/27/85/680902785.db2.gz UVFWZSVJPHSHQA-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cccc([N+](=O)[O-])c1Br ZINC000842162774 680929464 /nfs/dbraw/zinc/92/94/64/680929464.db2.gz ICPJOXLEMSUSNT-RYUDHWBXSA-N 1 1 372.263 2.244 20 5 FEBDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932928619 681329994 /nfs/dbraw/zinc/32/99/94/681329994.db2.gz PRSCDATVXWBKLG-ZBFHGGJFSA-N 1 1 350.444 2.311 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000933714017 681456531 /nfs/dbraw/zinc/45/65/31/681456531.db2.gz SYVHMEGFKZGOKC-SNVBAGLBSA-N 1 1 356.308 2.090 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933738600 681460474 /nfs/dbraw/zinc/46/04/74/681460474.db2.gz JKPAKIFXPOQVKQ-BZNIZROVSA-N 1 1 352.822 2.070 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000933799517 681468737 /nfs/dbraw/zinc/46/87/37/681468737.db2.gz YXYBSYFRNANZIJ-VIFPVBQESA-N 1 1 358.801 2.383 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1F ZINC000848508645 681566586 /nfs/dbraw/zinc/56/65/86/681566586.db2.gz OVRGPGRENOEJOH-ZIAGYGMSSA-N 1 1 371.434 2.338 20 5 FEBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000912950713 685467619 /nfs/dbraw/zinc/46/76/19/685467619.db2.gz WLTARYQIFBYMAK-UHFFFAOYSA-N 1 1 355.822 2.479 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1F ZINC000849412181 681720612 /nfs/dbraw/zinc/72/06/12/681720612.db2.gz HNOOUPUFDLHVBZ-NSHDSACASA-N 1 1 359.423 2.193 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])c1F ZINC000849412181 681720614 /nfs/dbraw/zinc/72/06/14/681720614.db2.gz HNOOUPUFDLHVBZ-NSHDSACASA-N 1 1 359.423 2.193 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000781651823 681957943 /nfs/dbraw/zinc/95/79/43/681957943.db2.gz YJQLQMVFHWMBGX-WCQYABFASA-N 1 1 350.375 2.035 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000917656173 685533593 /nfs/dbraw/zinc/53/35/93/685533593.db2.gz XOSXWZVGGJKKOP-NEPJUHHUSA-N 1 1 373.862 2.462 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CCCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000853688975 682456468 /nfs/dbraw/zinc/45/64/68/682456468.db2.gz VOZVCDXASRCRQM-UHFFFAOYSA-N 1 1 350.375 2.194 20 5 FEBDMO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788761262 682555900 /nfs/dbraw/zinc/55/59/00/682555900.db2.gz YAVGOPAAEIAYAX-VIFPVBQESA-N 1 1 355.441 2.493 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])C1 ZINC000790661115 682692877 /nfs/dbraw/zinc/69/28/77/682692877.db2.gz BEDVJHMPEWSSQI-GFCCVEGCSA-N 1 1 373.812 2.157 20 5 FEBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])OCCC[NH+]1CCOCC1 ZINC000790747688 682698819 /nfs/dbraw/zinc/69/88/19/682698819.db2.gz ZTBAXSMQKWUEEH-UHFFFAOYSA-N 1 1 360.769 2.195 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cs1 ZINC000859275854 683070974 /nfs/dbraw/zinc/07/09/74/683070974.db2.gz CXTYBYRGVULENB-GFCCVEGCSA-N 1 1 359.473 2.342 20 5 FEBDMO C[C@@H](C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860097970 683201823 /nfs/dbraw/zinc/20/18/23/683201823.db2.gz XFAMFPGCJCKJHL-SWLSCSKDSA-N 1 1 353.419 2.473 20 5 FEBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000797528818 683257275 /nfs/dbraw/zinc/25/72/75/683257275.db2.gz XIVNWGCAVPXLGI-IDCJVQTKSA-N 1 1 350.415 2.287 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928086429 683376091 /nfs/dbraw/zinc/37/60/91/683376091.db2.gz OJKVUVYHGOFVFA-TZMCWYRMSA-N 1 1 365.455 2.303 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928086429 683376099 /nfs/dbraw/zinc/37/60/99/683376099.db2.gz OJKVUVYHGOFVFA-TZMCWYRMSA-N 1 1 365.455 2.303 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928092985 683381818 /nfs/dbraw/zinc/38/18/18/683381818.db2.gz JKIZQOMPYCIGEF-LSDHHAIUSA-N 1 1 369.874 2.487 20 5 FEBDMO COc1cc(C(=O)OC[C@]2(C)C[C@H](OC)C[N@H+]2C)cc([N+](=O)[O-])c1C ZINC000861351986 683395440 /nfs/dbraw/zinc/39/54/40/683395440.db2.gz LIKJBBYRSMZKKZ-GUYCJALGSA-N 1 1 352.387 2.178 20 5 FEBDMO C[C@H]1[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928456113 683455150 /nfs/dbraw/zinc/45/51/50/683455150.db2.gz NTEWBRURSPVMHZ-CABZTGNLSA-N 1 1 361.320 2.358 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455803 683455225 /nfs/dbraw/zinc/45/52/25/683455225.db2.gz UKMFVGGJMKPOCH-SCZZXKLOSA-N 1 1 359.329 2.027 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000862796645 683635232 /nfs/dbraw/zinc/63/52/32/683635232.db2.gz SCCSHCXKACBCRS-LBPRGKRZSA-N 1 1 350.375 2.273 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930304583 683708043 /nfs/dbraw/zinc/70/80/43/683708043.db2.gz HWVSPOCUQZXJEI-CQSZACIVSA-N 1 1 356.220 2.315 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)CC2)cc([N+](=O)[O-])c1F ZINC000867681497 684351036 /nfs/dbraw/zinc/35/10/36/684351036.db2.gz YTDYZKISHMFMSH-UHFFFAOYSA-N 1 1 359.423 2.147 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000868519614 684505067 /nfs/dbraw/zinc/50/50/67/684505067.db2.gz CYEONUUGRNQLHB-BXUZGUMPSA-N 1 1 368.231 2.062 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000869777490 684654528 /nfs/dbraw/zinc/65/45/28/684654528.db2.gz IBHFRYAMYHPLHP-NSHDSACASA-N 1 1 355.822 2.132 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000872662516 684999745 /nfs/dbraw/zinc/99/97/45/684999745.db2.gz FMTOVSYDBOPYGO-VXGBXAGGSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000872662516 684999750 /nfs/dbraw/zinc/99/97/50/684999750.db2.gz FMTOVSYDBOPYGO-VXGBXAGGSA-N 1 1 359.835 2.105 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(C)cc1[N+](=O)[O-] ZINC000872665108 685001145 /nfs/dbraw/zinc/00/11/45/685001145.db2.gz OVZHHLKBYKZEDN-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874829715 685677098 /nfs/dbraw/zinc/67/70/98/685677098.db2.gz NANJODXHBXUFSF-KGLIPLIRSA-N 1 1 350.394 2.109 20 5 FEBDMO CCOC(=O)[C@H]1C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000879368718 686806504 /nfs/dbraw/zinc/80/65/04/686806504.db2.gz SDJTYNIRXUFRLV-KGLIPLIRSA-N 1 1 358.341 2.149 20 5 FEBDMO CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000879368718 686806512 /nfs/dbraw/zinc/80/65/12/686806512.db2.gz SDJTYNIRXUFRLV-KGLIPLIRSA-N 1 1 358.341 2.149 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134438 687004029 /nfs/dbraw/zinc/00/40/29/687004029.db2.gz MVJXRFHZWZTOOH-GJZGRUSLSA-N 1 1 352.822 2.355 20 5 FEBDMO CC1(C)[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000880495451 687054084 /nfs/dbraw/zinc/05/40/84/687054084.db2.gz HMZFOQKCYHJJLR-KBPBESRZSA-N 1 1 367.833 2.477 20 5 FEBDMO C[C@@H]1[C@H](C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000881864773 687238361 /nfs/dbraw/zinc/23/83/61/687238361.db2.gz APELCWBMZCGOMT-BXKDBHETSA-N 1 1 356.220 2.314 20 5 FEBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CCC[N@H+](CCO)CC1 ZINC000881923557 687262035 /nfs/dbraw/zinc/26/20/35/687262035.db2.gz BZWDJJHABBXOEC-UHFFFAOYSA-N 1 1 362.199 2.001 20 5 FEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000882487600 687375833 /nfs/dbraw/zinc/37/58/33/687375833.db2.gz GVZKWZJSMNWZHG-GFCCVEGCSA-N 1 1 356.220 2.110 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884951473 687972540 /nfs/dbraw/zinc/97/25/40/687972540.db2.gz DZAJHFXVPBFUKW-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884958810 687975734 /nfs/dbraw/zinc/97/57/34/687975734.db2.gz DXGVFBAERVJNJD-RYUDHWBXSA-N 1 1 373.862 2.462 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000885886059 688178265 /nfs/dbraw/zinc/17/82/65/688178265.db2.gz RACQFDYTCZNXNW-GFCCVEGCSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000886804565 688315585 /nfs/dbraw/zinc/31/55/85/688315585.db2.gz ZTOBCUZDNOJJOD-CQSZACIVSA-N 1 1 361.320 2.170 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889745029 688814904 /nfs/dbraw/zinc/81/49/04/688814904.db2.gz QWDOLJQJEXRCDC-OLZOCXBDSA-N 1 1 371.796 2.059 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC000889751767 688817038 /nfs/dbraw/zinc/81/70/38/688817038.db2.gz SBZRYNLAPQVGJO-CABCVRRESA-N 1 1 367.833 2.228 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCC[N@H+]4CCSC[C@@H]34)cc2N1 ZINC000895573437 689738029 /nfs/dbraw/zinc/73/80/29/689738029.db2.gz YICMMIVYCCZHAV-WBMJQRKESA-N 1 1 362.455 2.471 20 5 FEBDMO Cc1c(Br)c(N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)ncc1[N+](=O)[O-] ZINC000896913566 689949572 /nfs/dbraw/zinc/94/95/72/689949572.db2.gz UCRQYQOGTMTTQH-YGRLFVJLSA-N 1 1 355.236 2.449 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900192370 690481988 /nfs/dbraw/zinc/48/19/88/690481988.db2.gz MTTLKYIYDWOKEA-UHFFFAOYSA-N 1 1 372.828 2.145 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)C[C@]2(C)C1 ZINC000900751632 690557385 /nfs/dbraw/zinc/55/73/85/690557385.db2.gz RMCFCUDACOIDAV-BMIGLBTASA-N 1 1 368.231 2.381 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000902904417 690818620 /nfs/dbraw/zinc/81/86/20/690818620.db2.gz KJAZXUQOAJQSBQ-ZIAGYGMSSA-N 1 1 354.407 2.435 20 5 FEBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N)c([N+](=O)[O-])cn1)[C@H]2C ZINC001164863600 720971162 /nfs/dbraw/zinc/97/11/62/720971162.db2.gz XHUIFELGLJTAJK-LBPRGKRZSA-N 1 1 359.434 2.190 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(F)c1 ZINC001164865828 721074408 /nfs/dbraw/zinc/07/44/08/721074408.db2.gz AICZNBOWOJKWOE-HZPDHXFCSA-N 1 1 373.388 2.004 20 5 FEBDMO O=[N+]([O-])c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901680 721511706 /nfs/dbraw/zinc/51/17/06/721511706.db2.gz XYBFFZRJSFCJBX-WBVHZDCISA-N 1 1 358.373 2.471 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164931000 721889012 /nfs/dbraw/zinc/88/90/12/721889012.db2.gz DYLNFQHOSTXXTN-ROUUACIJSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164931000 721889015 /nfs/dbraw/zinc/88/90/15/721889015.db2.gz DYLNFQHOSTXXTN-ROUUACIJSA-N 1 1 355.442 2.358 20 5 FEBDMO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000472657776 889515598 /nfs/dbraw/zinc/51/55/98/889515598.db2.gz AMVBTLMPEDDOCW-ZDUSSCGKSA-N 1 1 360.418 2.083 20 5 FEBDMO CCOC(=O)N1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000026164212 539778975 /nfs/dbraw/zinc/77/89/75/539778975.db2.gz ZVMKFUGSAXQWST-UHFFFAOYSA-N 1 1 364.402 2.006 20 5 FEBDMO COc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000031338182 539905820 /nfs/dbraw/zinc/90/58/20/539905820.db2.gz PZFDKGYKTAKJNG-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO COc1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000031338182 539905821 /nfs/dbraw/zinc/90/58/21/539905821.db2.gz PZFDKGYKTAKJNG-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO Cc1ccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000043147951 540091348 /nfs/dbraw/zinc/09/13/48/540091348.db2.gz VNSXHHGEIAWWDZ-MRXNPFEDSA-N 1 1 350.419 2.382 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000045744976 540225342 /nfs/dbraw/zinc/22/53/42/540225342.db2.gz SZNXUOPOTDUQME-JSGCOSHPSA-N 1 1 355.460 2.302 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000048314816 540356815 /nfs/dbraw/zinc/35/68/15/540356815.db2.gz JGNSIHGCXUIQEG-AWEZNQCLSA-N 1 1 360.414 2.163 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000049131547 540382000 /nfs/dbraw/zinc/38/20/00/540382000.db2.gz OQUVFWFBHVNDLI-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052247562 540460403 /nfs/dbraw/zinc/46/04/03/540460403.db2.gz KUTUNPVTBQHOQM-ZDUSSCGKSA-N 1 1 370.475 2.166 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)C1 ZINC000053144523 540513288 /nfs/dbraw/zinc/51/32/88/540513288.db2.gz UBVYHNOSXYJULV-HNNXBMFYSA-N 1 1 371.441 2.340 20 5 FEBDMO CNC(=O)c1ccc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053555295 540542822 /nfs/dbraw/zinc/54/28/22/540542822.db2.gz CPHAJVIYKYJKPG-BETUJISGSA-N 1 1 364.446 2.254 20 5 FEBDMO CNC(=O)c1ccc(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053555295 540542825 /nfs/dbraw/zinc/54/28/25/540542825.db2.gz CPHAJVIYKYJKPG-BETUJISGSA-N 1 1 364.446 2.254 20 5 FEBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC000054950987 540618125 /nfs/dbraw/zinc/61/81/25/540618125.db2.gz PZTYSDKHTGCTQJ-UHFFFAOYSA-N 1 1 358.398 2.280 20 5 FEBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)cc1 ZINC000054950987 540618128 /nfs/dbraw/zinc/61/81/28/540618128.db2.gz PZTYSDKHTGCTQJ-UHFFFAOYSA-N 1 1 358.398 2.280 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000066484809 541325723 /nfs/dbraw/zinc/32/57/23/541325723.db2.gz VZJLZLZQCSGNPP-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067164657 541427728 /nfs/dbraw/zinc/42/77/28/541427728.db2.gz XJXISPVZCAJYJE-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000067380266 541452959 /nfs/dbraw/zinc/45/29/59/541452959.db2.gz YNFUJUHTTROYHG-UHFFFAOYSA-N 1 1 370.409 2.090 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000247389141 549327599 /nfs/dbraw/zinc/32/75/99/549327599.db2.gz LYIQJZLGPAWCBA-ZFWWWQNUSA-N 1 1 365.430 2.171 20 5 FEBDMO CCCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000068185669 541559527 /nfs/dbraw/zinc/55/95/27/541559527.db2.gz BSADXAXIYROSST-CQSZACIVSA-N 1 1 357.414 2.275 20 5 FEBDMO COc1cc(OCC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000068790439 541628805 /nfs/dbraw/zinc/62/88/05/541628805.db2.gz QEWUYSTZZQESAU-KGLIPLIRSA-N 1 1 365.430 2.361 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000068935501 541642305 /nfs/dbraw/zinc/64/23/05/541642305.db2.gz LZZFCBYZCDFJES-CQSZACIVSA-N 1 1 357.414 2.241 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000069036267 541650727 /nfs/dbraw/zinc/65/07/27/541650727.db2.gz QUAJECTUHBZCSP-GFCCVEGCSA-N 1 1 350.375 2.353 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)cc([N+](=O)[O-])c1 ZINC000069143385 541662223 /nfs/dbraw/zinc/66/22/23/541662223.db2.gz KSHHUDVANZQXNA-CYBMUJFWSA-N 1 1 363.414 2.233 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000069531034 541695118 /nfs/dbraw/zinc/69/51/18/541695118.db2.gz OSSJIKFNYTWAOQ-ZFWWWQNUSA-N 1 1 367.471 2.302 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070892017 541749610 /nfs/dbraw/zinc/74/96/10/541749610.db2.gz MVVGUWMNEYCEFZ-ZDUSSCGKSA-N 1 1 363.414 2.360 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000075497999 542182044 /nfs/dbraw/zinc/18/20/44/542182044.db2.gz IXMPTPBIQJDKGZ-GFCCVEGCSA-N 1 1 368.821 2.434 20 5 FEBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075749964 542202149 /nfs/dbraw/zinc/20/21/49/542202149.db2.gz LPBXRMLLINYBCB-WBMJQRKESA-N 1 1 352.822 2.369 20 5 FEBDMO CCC[N@@H+](CCc1cccc(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743361 542201353 /nfs/dbraw/zinc/20/13/53/542201353.db2.gz RMHBWDFNZSYOEO-QGZVFWFLSA-N 1 1 350.394 2.246 20 5 FEBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801555176 674135010 /nfs/dbraw/zinc/13/50/10/674135010.db2.gz GEQANYOWUPLBDC-GWCFXTLKSA-N 1 1 359.220 2.329 20 5 FEBDMO Cc1c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000076380816 542270427 /nfs/dbraw/zinc/27/04/27/542270427.db2.gz CNJSAHOVELZYSL-CYBMUJFWSA-N 1 1 372.429 2.088 20 5 FEBDMO Cc1ccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000010090539 207294749 /nfs/dbraw/zinc/29/47/49/207294749.db2.gz XJVDCXPAUFOPOQ-KRWDZBQOSA-N 1 1 363.439 2.484 20 5 FEBDMO O=C(Cc1ccccc1[N+](=O)[O-])NCC1([NH+]2CCOCC2)CCCCC1 ZINC000022462352 220386770 /nfs/dbraw/zinc/38/67/70/220386770.db2.gz GWQILNOFKMDRJI-UHFFFAOYSA-N 1 1 361.442 2.289 20 5 FEBDMO CN(CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000079350655 542513483 /nfs/dbraw/zinc/51/34/83/542513483.db2.gz YWZFTFYCFUFMDE-QGZVFWFLSA-N 1 1 368.437 2.422 20 5 FEBDMO Nc1nc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)ncc1[N+](=O)[O-] ZINC000080697458 542602155 /nfs/dbraw/zinc/60/21/55/542602155.db2.gz KJYVHJCNDYERSK-LJQANCHMSA-N 1 1 368.441 2.460 20 5 FEBDMO Cc1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000033853104 132378050 /nfs/dbraw/zinc/37/80/50/132378050.db2.gz PPFGCPYWUXSQCL-KRWDZBQOSA-N 1 1 371.437 2.465 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089927036 542774467 /nfs/dbraw/zinc/77/44/67/542774467.db2.gz UTQUIRRSTUDQQP-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1nn(CCC(=O)Nc2cccnc2-n2cc[nH+]c2C)c(C)c1[N+](=O)[O-] ZINC000102334650 543065264 /nfs/dbraw/zinc/06/52/64/543065264.db2.gz NKELINBBYUKGKK-UHFFFAOYSA-N 1 1 369.385 2.326 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106891785 543253198 /nfs/dbraw/zinc/25/31/98/543253198.db2.gz SJWMLUDOTBOZOG-CYBMUJFWSA-N 1 1 353.444 2.198 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCn1cccn1 ZINC000111280173 543392053 /nfs/dbraw/zinc/39/20/53/543392053.db2.gz PAJLILAWOZRVOF-NSHDSACASA-N 1 1 351.794 2.404 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCn1cccn1 ZINC000111280173 543392056 /nfs/dbraw/zinc/39/20/56/543392056.db2.gz PAJLILAWOZRVOF-NSHDSACASA-N 1 1 351.794 2.404 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000113646582 543494658 /nfs/dbraw/zinc/49/46/58/543494658.db2.gz NAPMUNUNJZWACP-OAHLLOKOSA-N 1 1 362.430 2.222 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000123754123 543781221 /nfs/dbraw/zinc/78/12/21/543781221.db2.gz WVDCCTALYHTELW-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000125034555 543857148 /nfs/dbraw/zinc/85/71/48/543857148.db2.gz GVUWYLCORKBEGG-MRXNPFEDSA-N 1 1 371.441 2.421 20 5 FEBDMO C[C@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000125363589 543877247 /nfs/dbraw/zinc/87/72/47/543877247.db2.gz PPGMHISWYBKBKI-AWEZNQCLSA-N 1 1 357.414 2.065 20 5 FEBDMO C[C@@H]1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000125363335 543877279 /nfs/dbraw/zinc/87/72/79/543877279.db2.gz PPGMHISWYBKBKI-CQSZACIVSA-N 1 1 357.414 2.065 20 5 FEBDMO CN1CC[NH+]([C@@H]2CCCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000127048839 543970152 /nfs/dbraw/zinc/97/01/52/543970152.db2.gz JTAQMBMQAKTCHV-OAHLLOKOSA-N 1 1 363.418 2.109 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1OC ZINC000127205740 543978412 /nfs/dbraw/zinc/97/84/12/543978412.db2.gz DEHSZUIOHHSFGM-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636166 543948099 /nfs/dbraw/zinc/94/80/99/543948099.db2.gz ZVSFFWKBCYWUMT-IUODEOHRSA-N 1 1 361.446 2.359 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636166 543948101 /nfs/dbraw/zinc/94/81/01/543948101.db2.gz ZVSFFWKBCYWUMT-IUODEOHRSA-N 1 1 361.446 2.359 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636166 543948103 /nfs/dbraw/zinc/94/81/03/543948103.db2.gz ZVSFFWKBCYWUMT-IUODEOHRSA-N 1 1 361.446 2.359 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000127980932 544026160 /nfs/dbraw/zinc/02/61/60/544026160.db2.gz JFHXDEHLOIRDOW-CYBMUJFWSA-N 1 1 372.381 2.137 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@H+]1C1CC1 ZINC000127571323 544000814 /nfs/dbraw/zinc/00/08/14/544000814.db2.gz XAECFSKCIYYATM-HUUCEWRRSA-N 1 1 373.457 2.052 20 5 FEBDMO Cc1nccn1CCC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000130488243 544153071 /nfs/dbraw/zinc/15/30/71/544153071.db2.gz LXFSJRRBVDWABF-QGZVFWFLSA-N 1 1 357.414 2.227 20 5 FEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000131505246 544192729 /nfs/dbraw/zinc/19/27/29/544192729.db2.gz ZUGGZSMGDMLJOM-OAHLLOKOSA-N 1 1 363.458 2.421 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000131531582 544193965 /nfs/dbraw/zinc/19/39/65/544193965.db2.gz NHMOBHMWYRHRET-CJNGLKHVSA-N 1 1 371.441 2.277 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000134087095 544293749 /nfs/dbraw/zinc/29/37/49/544293749.db2.gz FKEXXTJACMFZOI-KRWDZBQOSA-N 1 1 363.439 2.317 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000142419431 544416849 /nfs/dbraw/zinc/41/68/49/544416849.db2.gz VLRHHEWCBXGHBR-HNNXBMFYSA-N 1 1 361.398 2.082 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1[N+](=O)[O-] ZINC000152171975 544621442 /nfs/dbraw/zinc/62/14/42/544621442.db2.gz HSICFEUOECTMNN-GFCCVEGCSA-N 1 1 355.822 2.215 20 5 FEBDMO C[N@@H+](CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CCCC1 ZINC000152750702 544691819 /nfs/dbraw/zinc/69/18/19/544691819.db2.gz AGGNKBXYYAITMT-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000152865647 544704489 /nfs/dbraw/zinc/70/44/89/544704489.db2.gz OZTATBUCZXKHTJ-ZFWWWQNUSA-N 1 1 353.444 2.008 20 5 FEBDMO COc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000153153520 544738621 /nfs/dbraw/zinc/73/86/21/544738621.db2.gz KSWYEEBYFDLUAS-MRXNPFEDSA-N 1 1 358.394 2.401 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)c3c(N)cccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000180790368 327702174 /nfs/dbraw/zinc/70/21/74/327702174.db2.gz WZZWTPMGCZSARC-UHFFFAOYSA-N 1 1 355.398 2.279 20 5 FEBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000181404776 327728768 /nfs/dbraw/zinc/72/87/68/327728768.db2.gz VEODMEHFMRIZLM-KRWDZBQOSA-N 1 1 371.441 2.413 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188228152 328074596 /nfs/dbraw/zinc/07/45/96/328074596.db2.gz BOFLMXSIBVZFSL-NWDGAFQWSA-N 1 1 359.423 2.133 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189893767 328174420 /nfs/dbraw/zinc/17/44/20/328174420.db2.gz NHOKVMOTCWZDIG-CYBMUJFWSA-N 1 1 355.460 2.166 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000190007287 328181905 /nfs/dbraw/zinc/18/19/05/328181905.db2.gz ITIWKHBXDDKQGP-UONOGXRCSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000191096092 328249903 /nfs/dbraw/zinc/24/99/03/328249903.db2.gz XCMYMPFDBYKKHO-UHFFFAOYSA-N 1 1 359.835 2.025 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000191612078 328273898 /nfs/dbraw/zinc/27/38/98/328273898.db2.gz ZDNZTKCFMVLFIJ-CQSZACIVSA-N 1 1 357.414 2.158 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000191612078 328273899 /nfs/dbraw/zinc/27/38/99/328273899.db2.gz ZDNZTKCFMVLFIJ-CQSZACIVSA-N 1 1 357.414 2.158 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000191617156 328274324 /nfs/dbraw/zinc/27/43/24/328274324.db2.gz ODHLCMRDCASDTM-OAHLLOKOSA-N 1 1 357.414 2.206 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000191842779 328284266 /nfs/dbraw/zinc/28/42/66/328284266.db2.gz KHLAHZDDTLOVGH-HIFRSBDPSA-N 1 1 357.414 2.204 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000192462598 328320275 /nfs/dbraw/zinc/32/02/75/328320275.db2.gz VTHGNEPFKIYXCN-TXEJJXNPSA-N 1 1 353.806 2.037 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192900542 328345744 /nfs/dbraw/zinc/34/57/44/328345744.db2.gz UXXDWUHKQYZITM-SWLSCSKDSA-N 1 1 357.414 2.131 20 5 FEBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)N1 ZINC000193475942 328377763 /nfs/dbraw/zinc/37/77/63/328377763.db2.gz OHGNSRUCJMLXFQ-SFHVURJKSA-N 1 1 370.365 2.029 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000193583961 328383625 /nfs/dbraw/zinc/38/36/25/328383625.db2.gz RUNOUHQGJRQCPV-CQSZACIVSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000193583961 328383627 /nfs/dbraw/zinc/38/36/27/328383627.db2.gz RUNOUHQGJRQCPV-CQSZACIVSA-N 1 1 355.398 2.087 20 5 FEBDMO CCOC(=O)c1ccnc(N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000077902176 325024403 /nfs/dbraw/zinc/02/44/03/325024403.db2.gz HNPQGEYMKVBIGN-UHFFFAOYSA-N 1 1 370.409 2.489 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000083995878 325227408 /nfs/dbraw/zinc/22/74/08/325227408.db2.gz TUTBKGMQBVCJDN-NSHDSACASA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000083995878 325227410 /nfs/dbraw/zinc/22/74/10/325227410.db2.gz TUTBKGMQBVCJDN-NSHDSACASA-N 1 1 361.851 2.271 20 5 FEBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Br)o1 ZINC000090511739 325361426 /nfs/dbraw/zinc/36/14/26/325361426.db2.gz AWHZXGAXACRFEE-UHFFFAOYSA-N 1 1 356.176 2.244 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Br)o1 ZINC000090511739 325361429 /nfs/dbraw/zinc/36/14/29/325361429.db2.gz AWHZXGAXACRFEE-UHFFFAOYSA-N 1 1 356.176 2.244 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116620964 326027716 /nfs/dbraw/zinc/02/77/16/326027716.db2.gz FFNHRCVJFKAHSE-UHFFFAOYSA-N 1 1 371.441 2.407 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116620964 326027719 /nfs/dbraw/zinc/02/77/19/326027719.db2.gz FFNHRCVJFKAHSE-UHFFFAOYSA-N 1 1 371.441 2.407 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000116620964 326027720 /nfs/dbraw/zinc/02/77/20/326027720.db2.gz FFNHRCVJFKAHSE-UHFFFAOYSA-N 1 1 371.441 2.407 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000116837098 326038307 /nfs/dbraw/zinc/03/83/07/326038307.db2.gz PVMTZOZPOZSOMH-UHFFFAOYSA-N 1 1 355.398 2.279 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000119321519 326149575 /nfs/dbraw/zinc/14/95/75/326149575.db2.gz WFBYTULHKCGMCY-CYBMUJFWSA-N 1 1 372.425 2.144 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000121184283 326320058 /nfs/dbraw/zinc/32/00/58/326320058.db2.gz LXBYZKTWJKNMKA-GUYCJALGSA-N 1 1 357.414 2.193 20 5 FEBDMO CC[N@@H+]1CCc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000122176997 326386828 /nfs/dbraw/zinc/38/68/28/326386828.db2.gz NKROJZRECBFVMS-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO CC[N@H+]1CCc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000122176997 326386829 /nfs/dbraw/zinc/38/68/29/326386829.db2.gz NKROJZRECBFVMS-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000122345275 326393287 /nfs/dbraw/zinc/39/32/87/326393287.db2.gz ZTOIUTLYRQMEHM-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000122426834 326396574 /nfs/dbraw/zinc/39/65/74/326396574.db2.gz WEWOTGNAPFUIQQ-HIFRSBDPSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)c1 ZINC000133283522 326605947 /nfs/dbraw/zinc/60/59/47/326605947.db2.gz PHHYCXAXNQBLNP-UHFFFAOYSA-N 1 1 354.410 2.498 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(Cn3ccnn3)CC2)cccc1[N+](=O)[O-] ZINC000155655179 326798578 /nfs/dbraw/zinc/79/85/78/326798578.db2.gz FHCAKUJARZSAMW-CQSZACIVSA-N 1 1 372.429 2.234 20 5 FEBDMO CNC(=O)c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000161908656 327012401 /nfs/dbraw/zinc/01/24/01/327012401.db2.gz JGXCKDQVMWQLDN-GDBMZVCRSA-N 1 1 358.442 2.408 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162776441 327034428 /nfs/dbraw/zinc/03/44/28/327034428.db2.gz CTYYLLNSUQIJEF-MRXNPFEDSA-N 1 1 369.487 2.321 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171865104 327166578 /nfs/dbraw/zinc/16/65/78/327166578.db2.gz JENMBEZEGDHGST-NSHDSACASA-N 1 1 369.381 2.007 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171902795 327168967 /nfs/dbraw/zinc/16/89/67/327168967.db2.gz ATUZIMBBESNLPN-CZUORRHYSA-N 1 1 350.419 2.066 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000173024002 327230794 /nfs/dbraw/zinc/23/07/94/327230794.db2.gz LQDCAZQQLKVEQV-JTQLQIEISA-N 1 1 359.835 2.011 20 5 FEBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173278255 327246239 /nfs/dbraw/zinc/24/62/39/327246239.db2.gz CCVPOKAXVGFORK-QWRGUYRKSA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000173518612 327263493 /nfs/dbraw/zinc/26/34/93/327263493.db2.gz RQMYHUPCAHCNKN-OAHLLOKOSA-N 1 1 371.441 2.223 20 5 FEBDMO COCCOC[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173729049 327279490 /nfs/dbraw/zinc/27/94/90/327279490.db2.gz DDDBUWBNFWVQFU-HNNXBMFYSA-N 1 1 365.430 2.217 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1 ZINC000173867823 327290095 /nfs/dbraw/zinc/29/00/95/327290095.db2.gz XVADLXCXFVYDEN-ZDUSSCGKSA-N 1 1 371.434 2.277 20 5 FEBDMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721239 327345764 /nfs/dbraw/zinc/34/57/64/327345764.db2.gz GGBBCPHKSVJJOY-ZDUSSCGKSA-N 1 1 374.319 2.183 20 5 FEBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174840807 327354572 /nfs/dbraw/zinc/35/45/72/327354572.db2.gz KKHBFCLWUSGPRF-CYBMUJFWSA-N 1 1 353.423 2.123 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175131376 327375961 /nfs/dbraw/zinc/37/59/61/327375961.db2.gz NMMUFSJTFWVXJH-UHFFFAOYSA-N 1 1 366.443 2.475 20 5 FEBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000175290737 327384855 /nfs/dbraw/zinc/38/48/55/327384855.db2.gz GHTQYUPWASJAMH-KRWDZBQOSA-N 1 1 371.441 2.162 20 5 FEBDMO CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@H+]1C[C@@H](C)O ZINC000175302985 327385867 /nfs/dbraw/zinc/38/58/67/327385867.db2.gz QFRJOFGYRUVFQJ-TZMCWYRMSA-N 1 1 350.419 2.212 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(Cc3ccc(F)cc3Cl)CC2)n1 ZINC000176208279 327440861 /nfs/dbraw/zinc/44/08/61/327440861.db2.gz YDZFPEZZTYAQMF-UHFFFAOYSA-N 1 1 367.812 2.402 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262067600 328839552 /nfs/dbraw/zinc/83/95/52/328839552.db2.gz WNNNBCLBVBPBLM-KRWDZBQOSA-N 1 1 358.373 2.319 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000264945320 329077079 /nfs/dbraw/zinc/07/70/79/329077079.db2.gz IUEVQQJLXMHOIN-UHFFFAOYSA-N 1 1 357.414 2.363 20 5 FEBDMO COc1ccc(NC(=O)CCN2C[C@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000264945449 329077138 /nfs/dbraw/zinc/07/71/38/329077138.db2.gz JKMMGYHLINOZTM-ZIAGYGMSSA-N 1 1 362.430 2.101 20 5 FEBDMO Cc1cc(NC[C@@H](C)[NH+]2CCN(C)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264957439 329078396 /nfs/dbraw/zinc/07/83/96/329078396.db2.gz WUWGWXOEQBKULM-OAHLLOKOSA-N 1 1 370.457 2.408 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000265099278 329090929 /nfs/dbraw/zinc/09/09/29/329090929.db2.gz XEBJZEZVQDSSPV-ZIAGYGMSSA-N 1 1 361.446 2.180 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000265757982 329157282 /nfs/dbraw/zinc/15/72/82/329157282.db2.gz GFVVQTHIDFZUJU-GASCZTMLSA-N 1 1 363.458 2.488 20 5 FEBDMO COc1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960585 329176770 /nfs/dbraw/zinc/17/67/70/329176770.db2.gz QBXKDJZIQWHGCK-STQMWFEESA-N 1 1 365.430 2.462 20 5 FEBDMO O=C(C[N@H+]1CCCC2(CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000266053764 329185631 /nfs/dbraw/zinc/18/56/31/329185631.db2.gz ZTKLXCCFHRSQHA-UHFFFAOYSA-N 1 1 359.426 2.377 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000266352949 329214187 /nfs/dbraw/zinc/21/41/87/329214187.db2.gz XNPVMIBKEBUEQT-UHFFFAOYSA-N 1 1 363.361 2.392 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000266472488 329226503 /nfs/dbraw/zinc/22/65/03/329226503.db2.gz GYSISBYFJZNNIW-GOOCMWNKSA-N 1 1 362.430 2.418 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267411659 329324519 /nfs/dbraw/zinc/32/45/19/329324519.db2.gz KOGCKRGXPPWGIV-SWLSCSKDSA-N 1 1 357.414 2.267 20 5 FEBDMO O=C(CN1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267449746 329328518 /nfs/dbraw/zinc/32/85/18/329328518.db2.gz RCFJNMWEFBGJLF-CQSZACIVSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267449746 329328519 /nfs/dbraw/zinc/32/85/19/329328519.db2.gz RCFJNMWEFBGJLF-CQSZACIVSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267449746 329328521 /nfs/dbraw/zinc/32/85/21/329328521.db2.gz RCFJNMWEFBGJLF-CQSZACIVSA-N 1 1 355.398 2.087 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1CC1 ZINC000267959596 329372015 /nfs/dbraw/zinc/37/20/15/329372015.db2.gz ZFZSSFOWFNKTHV-UHFFFAOYSA-N 1 1 360.183 2.320 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)n1C ZINC000268132110 329388427 /nfs/dbraw/zinc/38/84/27/329388427.db2.gz TVRMMTATEKIJNH-UHFFFAOYSA-N 1 1 366.809 2.047 20 5 FEBDMO O=C(CCCC[NH+]1CCOCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268203508 329396561 /nfs/dbraw/zinc/39/65/61/329396561.db2.gz GTDSREBXSHGUSG-UHFFFAOYSA-N 1 1 355.822 2.367 20 5 FEBDMO COc1cc(OCC(=O)N2CC[NH2+]Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000269169737 329492930 /nfs/dbraw/zinc/49/29/30/329492930.db2.gz HVTYBPMZWRAMFN-UHFFFAOYSA-N 1 1 357.366 2.119 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269265829 329502168 /nfs/dbraw/zinc/50/21/68/329502168.db2.gz LQWDOCUTBWUMED-UHFFFAOYSA-N 1 1 364.471 2.318 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272502684 329786401 /nfs/dbraw/zinc/78/64/01/329786401.db2.gz HHPWGOVUCWYEFE-KRWDZBQOSA-N 1 1 373.457 2.118 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000275784148 330088542 /nfs/dbraw/zinc/08/85/42/330088542.db2.gz ILFTXKGTEWABPA-NSHDSACASA-N 1 1 354.382 2.043 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000276469915 330155412 /nfs/dbraw/zinc/15/54/12/330155412.db2.gz YLICNWKJSXHWAS-JSGCOSHPSA-N 1 1 352.387 2.113 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000276606341 330169327 /nfs/dbraw/zinc/16/93/27/330169327.db2.gz OXPACTQVTHCQSC-UHFFFAOYSA-N 1 1 369.849 2.475 20 5 FEBDMO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367182294 330227059 /nfs/dbraw/zinc/22/70/59/330227059.db2.gz YTMRTMTUXMMQOO-OAHLLOKOSA-N 1 1 356.382 2.133 20 5 FEBDMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367182294 330227060 /nfs/dbraw/zinc/22/70/60/330227060.db2.gz YTMRTMTUXMMQOO-OAHLLOKOSA-N 1 1 356.382 2.133 20 5 FEBDMO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375785030 330250910 /nfs/dbraw/zinc/25/09/10/330250910.db2.gz AHRJUBHEVJUNPC-HZPDHXFCSA-N 1 1 363.414 2.464 20 5 FEBDMO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375785030 330250912 /nfs/dbraw/zinc/25/09/12/330250912.db2.gz AHRJUBHEVJUNPC-HZPDHXFCSA-N 1 1 363.414 2.464 20 5 FEBDMO Cc1ccc(N2CC[N@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804624805 674294421 /nfs/dbraw/zinc/29/44/21/674294421.db2.gz AVDBGKGFQGUQSB-NSHDSACASA-N 1 1 358.236 2.169 20 5 FEBDMO Cc1ccc(N2CC[N@@H+](CCO)[C@@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804624805 674294423 /nfs/dbraw/zinc/29/44/23/674294423.db2.gz AVDBGKGFQGUQSB-NSHDSACASA-N 1 1 358.236 2.169 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000155907318 545582771 /nfs/dbraw/zinc/58/27/71/545582771.db2.gz KWVZYLRDPVEMHV-GFCCVEGCSA-N 1 1 351.403 2.289 20 5 FEBDMO CCC(CC)[N@@H+](CCOC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000477535946 561147308 /nfs/dbraw/zinc/14/73/08/561147308.db2.gz JSBUTMJVCPBUBH-UHFFFAOYSA-N 1 1 367.402 2.399 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCC2CCCC2)CC1 ZINC000158288483 545845213 /nfs/dbraw/zinc/84/52/13/545845213.db2.gz PFKHYOVPCNWNFJ-UHFFFAOYSA-N 1 1 367.471 2.481 20 5 FEBDMO CC[N@H+](CCO)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000158661897 545882288 /nfs/dbraw/zinc/88/22/88/545882288.db2.gz OMTLRMJMGXKVAT-UHFFFAOYSA-N 1 1 352.309 2.359 20 5 FEBDMO CC[N@@H+](CCO)Cc1cc(OC)c(OCC(F)(F)F)cc1[N+](=O)[O-] ZINC000158661897 545882294 /nfs/dbraw/zinc/88/22/94/545882294.db2.gz OMTLRMJMGXKVAT-UHFFFAOYSA-N 1 1 352.309 2.359 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000158703978 545887280 /nfs/dbraw/zinc/88/72/80/545887280.db2.gz KFXWLDPXWWZASK-CQSZACIVSA-N 1 1 372.425 2.110 20 5 FEBDMO Cc1c(CC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000160215752 546017385 /nfs/dbraw/zinc/01/73/85/546017385.db2.gz RGHXLCQFOLKANC-KBPBESRZSA-N 1 1 363.458 2.450 20 5 FEBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000175788257 546350377 /nfs/dbraw/zinc/35/03/77/546350377.db2.gz OTZBDIAWBUCOLA-OAHLLOKOSA-N 1 1 370.409 2.290 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000176050801 546396516 /nfs/dbraw/zinc/39/65/16/546396516.db2.gz GVIAUUMTGUSRAI-DOMZBBRYSA-N 1 1 350.419 2.085 20 5 FEBDMO COc1ccccc1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCCO1 ZINC000176245394 546423843 /nfs/dbraw/zinc/42/38/43/546423843.db2.gz GMTCFUWZIHEPCU-MRXNPFEDSA-N 1 1 360.414 2.481 20 5 FEBDMO COC(=O)c1cc(NCC[N@@H+]2CCOC(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000177823841 546692727 /nfs/dbraw/zinc/69/27/27/546692727.db2.gz MHUUWQJDDFQSFE-UHFFFAOYSA-N 1 1 351.403 2.213 20 5 FEBDMO COC(=O)c1cc(NCC[N@H+]2CCOC(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000177823841 546692731 /nfs/dbraw/zinc/69/27/31/546692731.db2.gz MHUUWQJDDFQSFE-UHFFFAOYSA-N 1 1 351.403 2.213 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000481102988 561225254 /nfs/dbraw/zinc/22/52/54/561225254.db2.gz CDFXJSYBZOIDOI-OLZOCXBDSA-N 1 1 362.430 2.158 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2ccc3c2cccc3[N+](=O)[O-])C1 ZINC000178179535 546752996 /nfs/dbraw/zinc/75/29/96/546752996.db2.gz IUAXDBSVBLFEPB-HNNXBMFYSA-N 1 1 374.441 2.023 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481617553 561237463 /nfs/dbraw/zinc/23/74/63/561237463.db2.gz UNVUPPQHGUHWOY-OLZOCXBDSA-N 1 1 362.430 2.158 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000179425689 546951351 /nfs/dbraw/zinc/95/13/51/546951351.db2.gz OKEZTOVZKHTHAC-HOCLYGCPSA-N 1 1 363.805 2.006 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000179425689 546951354 /nfs/dbraw/zinc/95/13/54/546951354.db2.gz OKEZTOVZKHTHAC-HOCLYGCPSA-N 1 1 363.805 2.006 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000180048455 547043041 /nfs/dbraw/zinc/04/30/41/547043041.db2.gz YLIFZGOQKRDQKK-MRXNPFEDSA-N 1 1 369.487 2.131 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000180113051 547053186 /nfs/dbraw/zinc/05/31/86/547053186.db2.gz KVUSFNFPSTUACD-UHFFFAOYSA-N 1 1 370.406 2.258 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1C ZINC000181162768 547262214 /nfs/dbraw/zinc/26/22/14/547262214.db2.gz OPNMNGZPTVJOQF-DCGLDWPTSA-N 1 1 360.414 2.029 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181464457 547318694 /nfs/dbraw/zinc/31/86/94/547318694.db2.gz KMXPSOVTJNELBM-GUYCJALGSA-N 1 1 365.430 2.415 20 5 FEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000181905617 547401352 /nfs/dbraw/zinc/40/13/52/547401352.db2.gz XCCRRFWXOHLDFA-IAOVAPTHSA-N 1 1 352.431 2.470 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000182186767 547449560 /nfs/dbraw/zinc/44/95/60/547449560.db2.gz JZVJNGZNTWDYTE-PBHICJAKSA-N 1 1 369.487 2.031 20 5 FEBDMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182717810 547539974 /nfs/dbraw/zinc/53/99/74/547539974.db2.gz YPDYVDJQGTVFND-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000183784008 547719552 /nfs/dbraw/zinc/71/95/52/547719552.db2.gz RHGKXKAGMPPLNI-GOSISDBHSA-N 1 1 369.421 2.400 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000184067821 547764160 /nfs/dbraw/zinc/76/41/60/547764160.db2.gz JUKWKVBZLMSCRC-LBPRGKRZSA-N 1 1 354.838 2.004 20 5 FEBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000184300329 547803030 /nfs/dbraw/zinc/80/30/30/547803030.db2.gz UGQBBGNDIVVWCN-UHFFFAOYSA-N 1 1 370.409 2.304 20 5 FEBDMO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nnnn1-c1ccccc1 ZINC000184830838 547883767 /nfs/dbraw/zinc/88/37/67/547883767.db2.gz DXASRRBZVVNNHH-ZDUSSCGKSA-N 1 1 354.370 2.300 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000485912507 561332203 /nfs/dbraw/zinc/33/22/03/561332203.db2.gz IOFNZVNXVBRWFC-ZDUSSCGKSA-N 1 1 364.446 2.467 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1(N(C)C)CCC1 ZINC000187002740 548238255 /nfs/dbraw/zinc/23/82/55/548238255.db2.gz FQYQFIOBQXPEDD-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CC1([NH+](C)C)CCC1 ZINC000187002740 548238258 /nfs/dbraw/zinc/23/82/58/548238258.db2.gz FQYQFIOBQXPEDD-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000193781876 548396856 /nfs/dbraw/zinc/39/68/56/548396856.db2.gz WKMHFQIPRUFPSB-ZDUSSCGKSA-N 1 1 350.419 2.135 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000245420464 548913552 /nfs/dbraw/zinc/91/35/52/548913552.db2.gz BMEVGFSINJHDEQ-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000245788559 548994888 /nfs/dbraw/zinc/99/48/88/548994888.db2.gz NHZDCGUNQAXHGQ-GHMZBOCLSA-N 1 1 364.427 2.358 20 5 FEBDMO C[C@@H](O)C[N@@H+](C)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000245788559 548994890 /nfs/dbraw/zinc/99/48/90/548994890.db2.gz NHZDCGUNQAXHGQ-GHMZBOCLSA-N 1 1 364.427 2.358 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000245805836 548997744 /nfs/dbraw/zinc/99/77/44/548997744.db2.gz PZVULDHPCQJSKA-KSSFIOAISA-N 1 1 359.426 2.449 20 5 FEBDMO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246120019 549056363 /nfs/dbraw/zinc/05/63/63/549056363.db2.gz HCAMGNZYHHQBIW-GDBMZVCRSA-N 1 1 369.425 2.181 20 5 FEBDMO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246120019 549056368 /nfs/dbraw/zinc/05/63/68/549056368.db2.gz HCAMGNZYHHQBIW-GDBMZVCRSA-N 1 1 369.425 2.181 20 5 FEBDMO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488721441 561395322 /nfs/dbraw/zinc/39/53/22/561395322.db2.gz CGFJITWEZUBSIU-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488721441 561395323 /nfs/dbraw/zinc/39/53/23/561395323.db2.gz CGFJITWEZUBSIU-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000246713221 549194023 /nfs/dbraw/zinc/19/40/23/549194023.db2.gz JTYVNBDYDPIJRF-HOCLYGCPSA-N 1 1 374.441 2.175 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246859324 549230114 /nfs/dbraw/zinc/23/01/14/549230114.db2.gz LANZJOJLOAYTCQ-XJKSGUPXSA-N 1 1 362.430 2.229 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247654901 549369014 /nfs/dbraw/zinc/36/90/14/549369014.db2.gz WYGRROWAOAOVBP-SMDDNHRTSA-N 1 1 373.862 2.353 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000248477333 549448065 /nfs/dbraw/zinc/44/80/65/549448065.db2.gz OQMCGUCTGBTBCI-YGRLFVJLSA-N 1 1 359.423 2.003 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000248603844 549466714 /nfs/dbraw/zinc/46/67/14/549466714.db2.gz JMWNSDODTHDMPC-ZIAGYGMSSA-N 1 1 361.446 2.299 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCO[C@@H]1C ZINC000489472064 561412411 /nfs/dbraw/zinc/41/24/11/561412411.db2.gz BVCZWGZEUTYOAJ-RHSMWYFYSA-N 1 1 365.430 2.358 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248847570 549512318 /nfs/dbraw/zinc/51/23/18/549512318.db2.gz UXXDWUHKQYZITM-IUODEOHRSA-N 1 1 357.414 2.131 20 5 FEBDMO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248846027 549512795 /nfs/dbraw/zinc/51/27/95/549512795.db2.gz NESXOJJDPPFLQN-RHSMWYFYSA-N 1 1 367.409 2.430 20 5 FEBDMO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248846027 549512797 /nfs/dbraw/zinc/51/27/97/549512797.db2.gz NESXOJJDPPFLQN-RHSMWYFYSA-N 1 1 367.409 2.430 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000252180400 549663704 /nfs/dbraw/zinc/66/37/04/549663704.db2.gz PXFKIQSLKQFPFR-QWHCGFSZSA-N 1 1 370.475 2.035 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000252653422 549676014 /nfs/dbraw/zinc/67/60/14/549676014.db2.gz YUBSJNOUHRJOIL-POZUXBRTSA-N 1 1 359.426 2.327 20 5 FEBDMO CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000490675889 561437175 /nfs/dbraw/zinc/43/71/75/561437175.db2.gz VXRFDHMRCCYNCY-UHFFFAOYSA-N 1 1 363.414 2.148 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269610813 550210385 /nfs/dbraw/zinc/21/03/85/550210385.db2.gz AYLVWDVGJMQUOX-KBPBESRZSA-N 1 1 367.413 2.304 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269610813 550210386 /nfs/dbraw/zinc/21/03/86/550210386.db2.gz AYLVWDVGJMQUOX-KBPBESRZSA-N 1 1 367.413 2.304 20 5 FEBDMO CCOCCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000269720670 550219909 /nfs/dbraw/zinc/21/99/09/550219909.db2.gz VEQYBRPJJFSETE-INIZCTEOSA-N 1 1 352.387 2.089 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000269720670 550219910 /nfs/dbraw/zinc/21/99/10/550219910.db2.gz VEQYBRPJJFSETE-INIZCTEOSA-N 1 1 352.387 2.089 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000270619749 550289981 /nfs/dbraw/zinc/28/99/81/550289981.db2.gz HNVWUBWHHWUETL-AWEZNQCLSA-N 1 1 360.414 2.043 20 5 FEBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000270947420 550324251 /nfs/dbraw/zinc/32/42/51/550324251.db2.gz LDRKIDRLQAZXHT-UHFFFAOYSA-N 1 1 352.435 2.134 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272409724 550445314 /nfs/dbraw/zinc/44/53/14/550445314.db2.gz KZDCMXJIMZJQKY-NHYWBVRUSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272409724 550445316 /nfs/dbraw/zinc/44/53/16/550445316.db2.gz KZDCMXJIMZJQKY-NHYWBVRUSA-N 1 1 373.862 2.271 20 5 FEBDMO CC(=O)NC1CCC([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272483201 550451910 /nfs/dbraw/zinc/45/19/10/550451910.db2.gz CLHMWYSFXNWPRB-LEOMRAHMSA-N 1 1 371.441 2.455 20 5 FEBDMO COC(=O)c1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000272891309 550475552 /nfs/dbraw/zinc/47/55/52/550475552.db2.gz AQGWFQPJXVQKGX-MRXNPFEDSA-N 1 1 374.393 2.253 20 5 FEBDMO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000277605934 550690775 /nfs/dbraw/zinc/69/07/75/550690775.db2.gz AMGHIXGOECROGK-OLZOCXBDSA-N 1 1 374.445 2.391 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277606735 550691219 /nfs/dbraw/zinc/69/12/19/550691219.db2.gz QDQMYXDOLKBJIR-AWEZNQCLSA-N 1 1 367.471 2.304 20 5 FEBDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000278253815 550765612 /nfs/dbraw/zinc/76/56/12/550765612.db2.gz HOPNPSREEBRQGS-ZMSDIMECSA-N 1 1 352.431 2.310 20 5 FEBDMO CC[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000278524917 550795271 /nfs/dbraw/zinc/79/52/71/550795271.db2.gz ZIZBJEUFAJXMEC-GHMZBOCLSA-N 1 1 362.352 2.290 20 5 FEBDMO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000495230889 561485181 /nfs/dbraw/zinc/48/51/81/561485181.db2.gz SJGKRNHBFVUAKU-HNNXBMFYSA-N 1 1 362.430 2.175 20 5 FEBDMO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000495230889 561485182 /nfs/dbraw/zinc/48/51/82/561485182.db2.gz SJGKRNHBFVUAKU-HNNXBMFYSA-N 1 1 362.430 2.175 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000279798548 550930080 /nfs/dbraw/zinc/93/00/80/550930080.db2.gz OWUMSQXJTKTSDQ-AWEZNQCLSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000279798548 550930082 /nfs/dbraw/zinc/93/00/82/550930082.db2.gz OWUMSQXJTKTSDQ-AWEZNQCLSA-N 1 1 360.357 2.450 20 5 FEBDMO C[NH+](C)Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1Cl ZINC000280225843 550973097 /nfs/dbraw/zinc/97/30/97/550973097.db2.gz OABDWLDMAJZARV-UHFFFAOYSA-N 1 1 364.789 2.110 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000281257326 551078596 /nfs/dbraw/zinc/07/85/96/551078596.db2.gz VFGCZWTXBNPRSZ-GOSISDBHSA-N 1 1 358.398 2.250 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000498313867 561521818 /nfs/dbraw/zinc/52/18/18/561521818.db2.gz ZXWYXNXHWYXKOG-HUUCEWRRSA-N 1 1 361.446 2.267 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000498583123 561529525 /nfs/dbraw/zinc/52/95/25/561529525.db2.gz IYGKSFLCRFOOCL-OLZOCXBDSA-N 1 1 363.414 2.326 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285399452 551750059 /nfs/dbraw/zinc/75/00/59/551750059.db2.gz XRPSVNZCITZOJZ-ZIAGYGMSSA-N 1 1 353.806 2.102 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000499264251 561547123 /nfs/dbraw/zinc/54/71/23/561547123.db2.gz LQZRCBFIZFGCTR-OAHLLOKOSA-N 1 1 356.382 2.099 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000288638665 552189780 /nfs/dbraw/zinc/18/97/80/552189780.db2.gz YZFMJZNCZAKIRS-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000288638665 552189782 /nfs/dbraw/zinc/18/97/82/552189782.db2.gz YZFMJZNCZAKIRS-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000288689056 552198525 /nfs/dbraw/zinc/19/85/25/552198525.db2.gz CNIZOWZATJLTOR-NSHDSACASA-N 1 1 370.837 2.423 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000289764234 552374747 /nfs/dbraw/zinc/37/47/47/552374747.db2.gz VRFROSLPDNIEKR-MRXNPFEDSA-N 1 1 359.430 2.298 20 5 FEBDMO C[C@H]1[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291191524 552597998 /nfs/dbraw/zinc/59/79/98/552597998.db2.gz STVRBJSFVYINJQ-WFASDCNBSA-N 1 1 355.398 2.164 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000291438050 552624479 /nfs/dbraw/zinc/62/44/79/552624479.db2.gz ZCKPDXZGQMFVIA-INIZCTEOSA-N 1 1 374.441 2.229 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000292698917 552750453 /nfs/dbraw/zinc/75/04/53/552750453.db2.gz DBXUFCKSIAMHPU-KRWDZBQOSA-N 1 1 367.471 2.318 20 5 FEBDMO CC[N@@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000292875535 552767534 /nfs/dbraw/zinc/76/75/34/552767534.db2.gz UGEOPXJCOZVDKF-QWHCGFSZSA-N 1 1 371.235 2.052 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000292875535 552767535 /nfs/dbraw/zinc/76/75/35/552767535.db2.gz UGEOPXJCOZVDKF-QWHCGFSZSA-N 1 1 371.235 2.052 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292882638 552768227 /nfs/dbraw/zinc/76/82/27/552768227.db2.gz UITVMIRXRMJUQN-HNNXBMFYSA-N 1 1 373.862 2.355 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CC2)OCCCO3)cccc1[N+](=O)[O-] ZINC000292896794 552769302 /nfs/dbraw/zinc/76/93/02/552769302.db2.gz DIFZJUJFELMZNE-AWEZNQCLSA-N 1 1 363.414 2.459 20 5 FEBDMO C[C@@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000293059447 552784962 /nfs/dbraw/zinc/78/49/62/552784962.db2.gz RQTOZLPVLNIYED-OAHLLOKOSA-N 1 1 365.478 2.181 20 5 FEBDMO C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000293059447 552784964 /nfs/dbraw/zinc/78/49/64/552784964.db2.gz RQTOZLPVLNIYED-OAHLLOKOSA-N 1 1 365.478 2.181 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000294867633 552939793 /nfs/dbraw/zinc/93/97/93/552939793.db2.gz DNSRVUWUXJXALZ-CQSZACIVSA-N 1 1 353.444 2.063 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000294871570 552940451 /nfs/dbraw/zinc/94/04/51/552940451.db2.gz DWAFLANJBNJHAY-OAHLLOKOSA-N 1 1 367.471 2.453 20 5 FEBDMO COC[C@]1(C(=O)OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000294963098 552947662 /nfs/dbraw/zinc/94/76/62/552947662.db2.gz FDDNVOQRAWLRBB-INIZCTEOSA-N 1 1 374.340 2.208 20 5 FEBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000294963098 552947663 /nfs/dbraw/zinc/94/76/63/552947663.db2.gz FDDNVOQRAWLRBB-INIZCTEOSA-N 1 1 374.340 2.208 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000295112697 552960172 /nfs/dbraw/zinc/96/01/72/552960172.db2.gz YLNYHLLQMOJYLT-GFCCVEGCSA-N 1 1 368.865 2.170 20 5 FEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000295604380 553032330 /nfs/dbraw/zinc/03/23/30/553032330.db2.gz UQXKRGAJMMBYJS-GFCCVEGCSA-N 1 1 355.822 2.085 20 5 FEBDMO COCCOc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000296013436 553089681 /nfs/dbraw/zinc/08/96/81/553089681.db2.gz MVGXCOXWUSEFDC-UHFFFAOYSA-N 1 1 372.425 2.337 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000296322972 553140771 /nfs/dbraw/zinc/14/07/71/553140771.db2.gz SLNXZYKDLXOSGS-LBPRGKRZSA-N 1 1 374.441 2.093 20 5 FEBDMO CO[C@H]1C[C@@H](CN(C)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)[N@@H+](C)C1 ZINC000296673278 553196655 /nfs/dbraw/zinc/19/66/55/553196655.db2.gz HUFWRBPUURZEOB-RYUDHWBXSA-N 1 1 354.382 2.225 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000502828167 561626740 /nfs/dbraw/zinc/62/67/40/561626740.db2.gz PJTSAYWCGWJZFA-CQSZACIVSA-N 1 1 357.370 2.453 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000502828167 561626741 /nfs/dbraw/zinc/62/67/41/561626741.db2.gz PJTSAYWCGWJZFA-CQSZACIVSA-N 1 1 357.370 2.453 20 5 FEBDMO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000503198769 561636398 /nfs/dbraw/zinc/63/63/98/561636398.db2.gz MVWFVVPPTXCAEG-NVXWUHKLSA-N 1 1 350.463 2.247 20 5 FEBDMO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000503198770 561636545 /nfs/dbraw/zinc/63/65/45/561636545.db2.gz MVWFVVPPTXCAEG-RDJZCZTQSA-N 1 1 350.463 2.247 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000297768947 553336704 /nfs/dbraw/zinc/33/67/04/553336704.db2.gz LWEMOEKDNCUAMO-FZMZJTMJSA-N 1 1 351.378 2.299 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000297960983 553362982 /nfs/dbraw/zinc/36/29/82/553362982.db2.gz ULTNBCFESMZXPU-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO CCN(CC)C(=O)CN1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298724640 553464403 /nfs/dbraw/zinc/46/44/03/553464403.db2.gz FHZXFOUQUBGENA-UHFFFAOYSA-N 1 1 362.474 2.013 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298724640 553464405 /nfs/dbraw/zinc/46/44/05/553464405.db2.gz FHZXFOUQUBGENA-UHFFFAOYSA-N 1 1 362.474 2.013 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298724640 553464406 /nfs/dbraw/zinc/46/44/06/553464406.db2.gz FHZXFOUQUBGENA-UHFFFAOYSA-N 1 1 362.474 2.013 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000298746320 553467652 /nfs/dbraw/zinc/46/76/52/553467652.db2.gz WGNPCSOMTONOSK-GFCCVEGCSA-N 1 1 367.402 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000298746320 553467654 /nfs/dbraw/zinc/46/76/54/553467654.db2.gz WGNPCSOMTONOSK-GFCCVEGCSA-N 1 1 367.402 2.204 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000299063723 553510483 /nfs/dbraw/zinc/51/04/83/553510483.db2.gz UGNMOBLVFNCODM-KRWDZBQOSA-N 1 1 368.393 2.297 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000299063723 553510484 /nfs/dbraw/zinc/51/04/84/553510484.db2.gz UGNMOBLVFNCODM-KRWDZBQOSA-N 1 1 368.393 2.297 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000299552689 553579999 /nfs/dbraw/zinc/57/99/99/553579999.db2.gz GEFUBDRGEXDAIG-WDEREUQCSA-N 1 1 368.821 2.128 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000299628304 553591158 /nfs/dbraw/zinc/59/11/58/553591158.db2.gz JUPMLVUACFBHNA-GDBMZVCRSA-N 1 1 374.441 2.093 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302135814 553706052 /nfs/dbraw/zinc/70/60/52/553706052.db2.gz MKWYKDAKHBCZOM-FRRDWIJNSA-N 1 1 370.475 2.021 20 5 FEBDMO Cc1cc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000302479491 553718068 /nfs/dbraw/zinc/71/80/68/553718068.db2.gz WBCNQUMEMLZYLC-LJQANCHMSA-N 1 1 356.426 2.371 20 5 FEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1CC(C)(C)O ZINC000302522714 553720302 /nfs/dbraw/zinc/72/03/02/553720302.db2.gz YLTMHASQWRYAKK-LLVKDONJSA-N 1 1 359.373 2.478 20 5 FEBDMO O=c1[nH]cnc2cc(NCCc3cn4c([nH+]3)CCCC4)c([N+](=O)[O-])cc12 ZINC000302655367 553723932 /nfs/dbraw/zinc/72/39/32/553723932.db2.gz KTVWMYCHKRKVNH-UHFFFAOYSA-N 1 1 354.370 2.431 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000330720120 554162616 /nfs/dbraw/zinc/16/26/16/554162616.db2.gz WTTBCYVYJISHHM-HIFRSBDPSA-N 1 1 355.460 2.366 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000330720120 554162620 /nfs/dbraw/zinc/16/26/20/554162620.db2.gz WTTBCYVYJISHHM-HIFRSBDPSA-N 1 1 355.460 2.366 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000331655941 554302848 /nfs/dbraw/zinc/30/28/48/554302848.db2.gz LMQFSQNOUKBCJV-IXDOHACOSA-N 1 1 361.442 2.429 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000331655941 554302852 /nfs/dbraw/zinc/30/28/52/554302852.db2.gz LMQFSQNOUKBCJV-IXDOHACOSA-N 1 1 361.442 2.429 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332034775 554367337 /nfs/dbraw/zinc/36/73/37/554367337.db2.gz JCEDNZQAFZNLIV-INIZCTEOSA-N 1 1 362.430 2.165 20 5 FEBDMO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332034775 554367343 /nfs/dbraw/zinc/36/73/43/554367343.db2.gz JCEDNZQAFZNLIV-INIZCTEOSA-N 1 1 362.430 2.165 20 5 FEBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332034775 554367347 /nfs/dbraw/zinc/36/73/47/554367347.db2.gz JCEDNZQAFZNLIV-INIZCTEOSA-N 1 1 362.430 2.165 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000332248978 554409554 /nfs/dbraw/zinc/40/95/54/554409554.db2.gz BFHGNMISGLZBPZ-WBVHZDCISA-N 1 1 361.442 2.213 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000332248978 554409557 /nfs/dbraw/zinc/40/95/57/554409557.db2.gz BFHGNMISGLZBPZ-WBVHZDCISA-N 1 1 361.442 2.213 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000332320729 554424546 /nfs/dbraw/zinc/42/45/46/554424546.db2.gz RMCDYCXTLFXLED-OAHLLOKOSA-N 1 1 368.455 2.117 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000332320729 554424548 /nfs/dbraw/zinc/42/45/48/554424548.db2.gz RMCDYCXTLFXLED-OAHLLOKOSA-N 1 1 368.455 2.117 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508724 554458687 /nfs/dbraw/zinc/45/86/87/554458687.db2.gz HAPKHESIZUIDPI-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@H]1C[C@@H](c2nc(-c3ccc(-n4cncn4)c([N+](=O)[O-])c3)no2)CC[N@H+]1C ZINC000351252060 554847376 /nfs/dbraw/zinc/84/73/76/554847376.db2.gz CHLWGUZKNKONJG-AAEUAGOBSA-N 1 1 369.385 2.423 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391125 554921029 /nfs/dbraw/zinc/92/10/29/554921029.db2.gz IPXCPWFJGUWTBA-YGRLFVJLSA-N 1 1 363.443 2.365 20 5 FEBDMO CNC(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000361813541 554936237 /nfs/dbraw/zinc/93/62/37/554936237.db2.gz MEFJGFVNTDYXAT-GOEBONIOSA-N 1 1 362.430 2.010 20 5 FEBDMO O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000361902226 554937499 /nfs/dbraw/zinc/93/74/99/554937499.db2.gz ZNRBTZRLYWQKGB-INIZCTEOSA-N 1 1 354.410 2.284 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363043091 555017231 /nfs/dbraw/zinc/01/72/31/555017231.db2.gz VOKVRMCKADQMIP-KGLIPLIRSA-N 1 1 357.414 2.220 20 5 FEBDMO CCc1nc([C@H]2CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)no1 ZINC000363103263 555030925 /nfs/dbraw/zinc/03/09/25/555030925.db2.gz FXMDPGTWHJBDGG-ZDUSSCGKSA-N 1 1 359.386 2.019 20 5 FEBDMO CCc1nc([C@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)no1 ZINC000363103263 555030926 /nfs/dbraw/zinc/03/09/26/555030926.db2.gz FXMDPGTWHJBDGG-ZDUSSCGKSA-N 1 1 359.386 2.019 20 5 FEBDMO CCc1ccc(C(=O)N2CCC[N@H+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000363327140 555079041 /nfs/dbraw/zinc/07/90/41/555079041.db2.gz KBKBRQQZCPYRRP-UHFFFAOYSA-N 1 1 361.442 2.484 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000363424215 555102291 /nfs/dbraw/zinc/10/22/91/555102291.db2.gz PMQNMCSCHPMJJJ-SUYBPPKGSA-N 1 1 365.405 2.353 20 5 FEBDMO Cc1cc([C@@H]2CCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)[nH]n1 ZINC000364036714 555237516 /nfs/dbraw/zinc/23/75/16/555237516.db2.gz SWFPOMRCRAOJGY-OAHLLOKOSA-N 1 1 369.425 2.395 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)n[nH]1 ZINC000364036714 555237518 /nfs/dbraw/zinc/23/75/18/555237518.db2.gz SWFPOMRCRAOJGY-OAHLLOKOSA-N 1 1 369.425 2.395 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)n[nH]1 ZINC000364036714 555237519 /nfs/dbraw/zinc/23/75/19/555237519.db2.gz SWFPOMRCRAOJGY-OAHLLOKOSA-N 1 1 369.425 2.395 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)[nH]n1 ZINC000364036714 555237521 /nfs/dbraw/zinc/23/75/21/555237521.db2.gz SWFPOMRCRAOJGY-OAHLLOKOSA-N 1 1 369.425 2.395 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)[nH]n1 ZINC000364036714 555237522 /nfs/dbraw/zinc/23/75/22/555237522.db2.gz SWFPOMRCRAOJGY-OAHLLOKOSA-N 1 1 369.425 2.395 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000364173572 555262818 /nfs/dbraw/zinc/26/28/18/555262818.db2.gz JLMOTVHWMUFNMQ-KSSFIOAISA-N 1 1 369.425 2.337 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000364202454 555268652 /nfs/dbraw/zinc/26/86/52/555268652.db2.gz KFTOCEHYLSWBIC-INIZCTEOSA-N 1 1 365.430 2.358 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000364202454 555268655 /nfs/dbraw/zinc/26/86/55/555268655.db2.gz KFTOCEHYLSWBIC-INIZCTEOSA-N 1 1 365.430 2.358 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)c1 ZINC000364331419 555293148 /nfs/dbraw/zinc/29/31/48/555293148.db2.gz YXVKWDKOQSMBMX-MRXNPFEDSA-N 1 1 353.386 2.209 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340106 555294475 /nfs/dbraw/zinc/29/44/75/555294475.db2.gz RKKGNFBGKROVCB-CABCVRRESA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340106 555294477 /nfs/dbraw/zinc/29/44/77/555294477.db2.gz RKKGNFBGKROVCB-CABCVRRESA-N 1 1 352.387 2.146 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)c2cccn2C)CC1 ZINC000364526061 555329885 /nfs/dbraw/zinc/32/98/85/555329885.db2.gz ZTXJNAXHPKOHOY-UHFFFAOYSA-N 1 1 372.425 2.336 20 5 FEBDMO O=C1[C@H]([NH+]2CCC(n3cccn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000364529415 555330319 /nfs/dbraw/zinc/33/03/19/555330319.db2.gz OWZVTGCXCAYPMT-QGZVFWFLSA-N 1 1 355.398 2.234 20 5 FEBDMO CCc1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000364674313 555370613 /nfs/dbraw/zinc/37/06/13/555370613.db2.gz RJHGNGVWJBYPTH-BBRMVZONSA-N 1 1 372.429 2.040 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000364674313 555370615 /nfs/dbraw/zinc/37/06/15/555370615.db2.gz RJHGNGVWJBYPTH-BBRMVZONSA-N 1 1 372.429 2.040 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000364674313 555370617 /nfs/dbraw/zinc/37/06/17/555370617.db2.gz RJHGNGVWJBYPTH-BBRMVZONSA-N 1 1 372.429 2.040 20 5 FEBDMO Cc1cc(C(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000365115928 555489385 /nfs/dbraw/zinc/48/93/85/555489385.db2.gz IFSUJKRWSCQTNF-MRXNPFEDSA-N 1 1 360.458 2.003 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000365370200 555556012 /nfs/dbraw/zinc/55/60/12/555556012.db2.gz YCVFWCAWGXSNOJ-UHFFFAOYSA-N 1 1 371.397 2.244 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@@H]2[C@H]1c1ccccc1 ZINC000365629527 555626698 /nfs/dbraw/zinc/62/66/98/555626698.db2.gz MYEYRENIWPRXBH-HLLBOEOZSA-N 1 1 368.393 2.070 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000365772446 555664519 /nfs/dbraw/zinc/66/45/19/555664519.db2.gz AEIPNRLGYCECQG-MEBBXXQBSA-N 1 1 355.797 2.482 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000513708386 561947462 /nfs/dbraw/zinc/94/74/62/561947462.db2.gz RHYULQZNULOMCI-ZBCRRDGASA-N 1 1 357.414 2.051 20 5 FEBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000366435729 555842863 /nfs/dbraw/zinc/84/28/63/555842863.db2.gz IEMHHZLCBUKRRQ-AWEZNQCLSA-N 1 1 356.444 2.263 20 5 FEBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000366435729 555842866 /nfs/dbraw/zinc/84/28/66/555842866.db2.gz IEMHHZLCBUKRRQ-AWEZNQCLSA-N 1 1 356.444 2.263 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@@H]2C[NH+]2CCOCC2)s1 ZINC000367727929 556124719 /nfs/dbraw/zinc/12/47/19/556124719.db2.gz JYEFGVWTEGCOGZ-GFCCVEGCSA-N 1 1 363.443 2.291 20 5 FEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367924794 556174385 /nfs/dbraw/zinc/17/43/85/556174385.db2.gz BXXWYBGDRGJHKC-KBXCAEBGSA-N 1 1 360.458 2.260 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368055230 556206473 /nfs/dbraw/zinc/20/64/73/556206473.db2.gz HMMVUUYBVWHGRF-GOSISDBHSA-N 1 1 365.430 2.272 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662679 556377771 /nfs/dbraw/zinc/37/77/71/556377771.db2.gz JZSYPRCXTNZOPP-MSOLQXFVSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@H+]1Cc1ccccc1 ZINC000368821970 556422338 /nfs/dbraw/zinc/42/23/38/556422338.db2.gz DEBXIWFELJFSGR-UKRRQHHQSA-N 1 1 369.425 2.212 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000369369613 556582185 /nfs/dbraw/zinc/58/21/85/556582185.db2.gz IXXUMWLTGOGATL-NCNPBXTDSA-N 1 1 363.414 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000369369613 556582186 /nfs/dbraw/zinc/58/21/86/556582186.db2.gz IXXUMWLTGOGATL-NCNPBXTDSA-N 1 1 363.414 2.025 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000369384229 556586444 /nfs/dbraw/zinc/58/64/44/556586444.db2.gz BJMPIEOBNUXTKY-HNNXBMFYSA-N 1 1 374.441 2.258 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000369384229 556586446 /nfs/dbraw/zinc/58/64/46/556586446.db2.gz BJMPIEOBNUXTKY-HNNXBMFYSA-N 1 1 374.441 2.258 20 5 FEBDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000516998275 562070106 /nfs/dbraw/zinc/07/01/06/562070106.db2.gz SEQUFFHCVZBLCZ-KBPBESRZSA-N 1 1 363.414 2.376 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000370992076 557038769 /nfs/dbraw/zinc/03/87/69/557038769.db2.gz MOYFJYFGDYXCQZ-UONOGXRCSA-N 1 1 363.414 2.290 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000371233243 557114630 /nfs/dbraw/zinc/11/46/30/557114630.db2.gz XKRSIZZAADFRPM-KGLIPLIRSA-N 1 1 363.414 2.290 20 5 FEBDMO Cc1ccc(C[N@H+](C)C2CCN(CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000371380060 557167235 /nfs/dbraw/zinc/16/72/35/557167235.db2.gz QJMQYSNJFKWELJ-UHFFFAOYSA-N 1 1 374.485 2.422 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000371581528 557229065 /nfs/dbraw/zinc/22/90/65/557229065.db2.gz RHUMYOAZEHZICY-WMLDXEAASA-N 1 1 352.398 2.288 20 5 FEBDMO COC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000518046742 562103222 /nfs/dbraw/zinc/10/32/22/562103222.db2.gz RJTSBVAALKLLBX-CQSZACIVSA-N 1 1 361.398 2.128 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000371911703 557327101 /nfs/dbraw/zinc/32/71/01/557327101.db2.gz OZWRCJWFWWCMEB-CVEARBPZSA-N 1 1 362.430 2.356 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H](COC(C)C)C2)cccc1[N+](=O)[O-] ZINC000372121728 557384717 /nfs/dbraw/zinc/38/47/17/557384717.db2.gz WAOUQQYUNBTEED-OAHLLOKOSA-N 1 1 365.430 2.358 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H](COC(C)C)C2)cccc1[N+](=O)[O-] ZINC000372121728 557384720 /nfs/dbraw/zinc/38/47/20/557384720.db2.gz WAOUQQYUNBTEED-OAHLLOKOSA-N 1 1 365.430 2.358 20 5 FEBDMO O=c1[nH]c(CC[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)nc2ccccc12 ZINC000372473013 557479808 /nfs/dbraw/zinc/47/98/08/557479808.db2.gz OFLRPPYGUHOKTF-CYBMUJFWSA-N 1 1 368.397 2.320 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000519563209 562135022 /nfs/dbraw/zinc/13/50/22/562135022.db2.gz APOBMLCBQGTDBM-IDKBZEPQSA-N 1 1 367.471 2.354 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000519563209 562135023 /nfs/dbraw/zinc/13/50/23/562135023.db2.gz APOBMLCBQGTDBM-IDKBZEPQSA-N 1 1 367.471 2.354 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000373022103 557611895 /nfs/dbraw/zinc/61/18/95/557611895.db2.gz TYHZMCKUOIOVMK-UHFFFAOYSA-N 1 1 363.805 2.381 20 5 FEBDMO COc1ccc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373248032 557658085 /nfs/dbraw/zinc/65/80/85/557658085.db2.gz VUZFIBLDTIZSIN-UHFFFAOYSA-N 1 1 359.386 2.076 20 5 FEBDMO CNc1nc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000520245225 562151719 /nfs/dbraw/zinc/15/17/19/562151719.db2.gz ADNQXKLGXARLKY-IBGZPJMESA-N 1 1 369.425 2.426 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000373592718 557725133 /nfs/dbraw/zinc/72/51/33/557725133.db2.gz LYUALHXSYKJMBJ-AATRIKPKSA-N 1 1 355.398 2.127 20 5 FEBDMO C[C@@H]1CCC[N@@H+](C(C)(C)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396982 562155324 /nfs/dbraw/zinc/15/53/24/562155324.db2.gz XJFKHGMTXKNTSR-WBVHZDCISA-N 1 1 365.474 2.435 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000520396982 562155325 /nfs/dbraw/zinc/15/53/25/562155325.db2.gz XJFKHGMTXKNTSR-WBVHZDCISA-N 1 1 365.474 2.435 20 5 FEBDMO Cc1ccc2nc(C[NH2+]C[C@H](O)COc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000520397682 562155413 /nfs/dbraw/zinc/15/54/13/562155413.db2.gz JSCQTUJQWGUPAS-AWEZNQCLSA-N 1 1 356.382 2.309 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000373933680 557790148 /nfs/dbraw/zinc/79/01/48/557790148.db2.gz NFDXSMHTPWSFHT-MAUKXSAKSA-N 1 1 373.457 2.053 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000374049498 557813715 /nfs/dbraw/zinc/81/37/15/557813715.db2.gz KFOCVWKLDMRXSM-CYBMUJFWSA-N 1 1 358.402 2.230 20 5 FEBDMO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000521079881 562169252 /nfs/dbraw/zinc/16/92/52/562169252.db2.gz ABQOOSQBHAHTNN-MRXNPFEDSA-N 1 1 355.398 2.089 20 5 FEBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000374529037 557895333 /nfs/dbraw/zinc/89/53/33/557895333.db2.gz HGXIKJVECSKHSJ-CYBMUJFWSA-N 1 1 361.402 2.302 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000521170248 562170858 /nfs/dbraw/zinc/17/08/58/562170858.db2.gz HRRYUJNHWOWETK-OAHLLOKOSA-N 1 1 355.460 2.310 20 5 FEBDMO O=[N+]([O-])c1cc(CN2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000374862616 557942660 /nfs/dbraw/zinc/94/26/60/557942660.db2.gz LURQNQLITFJNDY-CYBMUJFWSA-N 1 1 370.247 2.264 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCN[C@@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000374868571 557943462 /nfs/dbraw/zinc/94/34/62/557943462.db2.gz MCKBCOBMSVQWJZ-CYBMUJFWSA-N 1 1 363.805 2.320 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000375038733 557968242 /nfs/dbraw/zinc/96/82/42/557968242.db2.gz LVOPSONJDKXPAF-IAQYHMDHSA-N 1 1 352.822 2.213 20 5 FEBDMO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375393637 558019796 /nfs/dbraw/zinc/01/97/96/558019796.db2.gz RGYISRAMHFPSEP-FUHWJXTLSA-N 1 1 374.441 2.485 20 5 FEBDMO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394499 558020331 /nfs/dbraw/zinc/02/03/31/558020331.db2.gz UHPHUBDRSKPCIA-HOCLYGCPSA-N 1 1 369.425 2.406 20 5 FEBDMO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394499 558020332 /nfs/dbraw/zinc/02/03/32/558020332.db2.gz UHPHUBDRSKPCIA-HOCLYGCPSA-N 1 1 369.425 2.406 20 5 FEBDMO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000375401362 558021132 /nfs/dbraw/zinc/02/11/32/558021132.db2.gz GNONLADQHVESSP-CJNGLKHVSA-N 1 1 361.446 2.218 20 5 FEBDMO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000375401362 558021133 /nfs/dbraw/zinc/02/11/33/558021133.db2.gz GNONLADQHVESSP-CJNGLKHVSA-N 1 1 361.446 2.218 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)c3cc(F)ccc3F)C2)c1 ZINC000375406070 558021871 /nfs/dbraw/zinc/02/18/71/558021871.db2.gz UFDGJOBVDCISBF-MLGOLLRUSA-N 1 1 352.341 2.440 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H](O)c3cc(F)ccc3F)C2)c1 ZINC000375406070 558021873 /nfs/dbraw/zinc/02/18/73/558021873.db2.gz UFDGJOBVDCISBF-MLGOLLRUSA-N 1 1 352.341 2.440 20 5 FEBDMO CC(C)C[NH+]1CCC(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000521426646 562176007 /nfs/dbraw/zinc/17/60/07/562176007.db2.gz KWWJGUUESXQPPK-KRWDZBQOSA-N 1 1 351.447 2.045 20 5 FEBDMO CC(C)[NH+]1CCN([C@@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000375893281 558095080 /nfs/dbraw/zinc/09/50/80/558095080.db2.gz YFSDXWUFDHGEKL-QGZVFWFLSA-N 1 1 362.474 2.074 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1C ZINC000376534436 558186380 /nfs/dbraw/zinc/18/63/80/558186380.db2.gz GSADHSXMJNGJFW-AWEZNQCLSA-N 1 1 353.444 2.070 20 5 FEBDMO CCC[C@]1(CO)CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377586038 558371448 /nfs/dbraw/zinc/37/14/48/558371448.db2.gz LUPVRLQFMHZWEK-SFHVURJKSA-N 1 1 365.430 2.417 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000377753285 558411713 /nfs/dbraw/zinc/41/17/13/558411713.db2.gz DWCKSLBEKJUOOO-CYBMUJFWSA-N 1 1 358.402 2.057 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000377814388 558425364 /nfs/dbraw/zinc/42/53/64/558425364.db2.gz NQTBNXVBRXWIEF-YQQAZPJKSA-N 1 1 369.425 2.012 20 5 FEBDMO COC(=O)[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000377988935 558458616 /nfs/dbraw/zinc/45/86/16/558458616.db2.gz GOCOVVRGVQZZFP-CYBMUJFWSA-N 1 1 360.370 2.276 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000377988935 558458618 /nfs/dbraw/zinc/45/86/18/558458618.db2.gz GOCOVVRGVQZZFP-CYBMUJFWSA-N 1 1 360.370 2.276 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000523480591 562213798 /nfs/dbraw/zinc/21/37/98/562213798.db2.gz ZBRDCBKPQIZANS-OAHLLOKOSA-N 1 1 350.419 2.085 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000525060822 562240015 /nfs/dbraw/zinc/24/00/15/562240015.db2.gz ZRNHCOCNUVSOOZ-ZDUSSCGKSA-N 1 1 363.414 2.359 20 5 FEBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411194853 558851785 /nfs/dbraw/zinc/85/17/85/558851785.db2.gz HWCAPIRJAKJTAO-INIZCTEOSA-N 1 1 362.430 2.256 20 5 FEBDMO O=[N+]([O-])c1c(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc2sccn21 ZINC000525461092 562248588 /nfs/dbraw/zinc/24/85/88/562248588.db2.gz CYQUNJYQYVAVNS-QGZVFWFLSA-N 1 1 373.438 2.353 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411525507 558910666 /nfs/dbraw/zinc/91/06/66/558910666.db2.gz KLJRLGNZAUQWRW-AWEZNQCLSA-N 1 1 364.446 2.387 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@@H]1C ZINC000411655730 558937153 /nfs/dbraw/zinc/93/71/53/558937153.db2.gz MKVMXJBOHHXSPV-UKRRQHHQSA-N 1 1 351.403 2.049 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000411976344 558998256 /nfs/dbraw/zinc/99/82/56/558998256.db2.gz CZTCKZKPFZIYLA-ZWKOTPCHSA-N 1 1 356.426 2.422 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412060226 559008209 /nfs/dbraw/zinc/00/82/09/559008209.db2.gz ZILZUVJKSZTNAG-HOCLYGCPSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412060226 559008210 /nfs/dbraw/zinc/00/82/10/559008210.db2.gz ZILZUVJKSZTNAG-HOCLYGCPSA-N 1 1 374.441 2.399 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC3(CCC[N@H+]3C)CC2)c1F ZINC000412230456 559021472 /nfs/dbraw/zinc/02/14/72/559021472.db2.gz OOIMCWUNNAQGMJ-UHFFFAOYSA-N 1 1 365.405 2.372 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413144953 559082553 /nfs/dbraw/zinc/08/25/53/559082553.db2.gz QTXPIFYNXXWIGT-UHFFFAOYSA-N 1 1 362.352 2.292 20 5 FEBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413252974 559092157 /nfs/dbraw/zinc/09/21/57/559092157.db2.gz TYFVZNMHMQTASU-GOSISDBHSA-N 1 1 360.389 2.202 20 5 FEBDMO COC(=O)c1cnc(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000413533871 559114667 /nfs/dbraw/zinc/11/46/67/559114667.db2.gz QQFITYFMZAIXAV-AWEZNQCLSA-N 1 1 370.409 2.487 20 5 FEBDMO COC(=O)c1cnc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000413533871 559114668 /nfs/dbraw/zinc/11/46/68/559114668.db2.gz QQFITYFMZAIXAV-AWEZNQCLSA-N 1 1 370.409 2.487 20 5 FEBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](O)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414564153 559172074 /nfs/dbraw/zinc/17/20/74/559172074.db2.gz XHVHEBNDGLNIHA-PXAZEXFGSA-N 1 1 362.382 2.039 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416384887 559309055 /nfs/dbraw/zinc/30/90/55/559309055.db2.gz OOOKCKWENNIVBN-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416562444 559322138 /nfs/dbraw/zinc/32/21/38/559322138.db2.gz OKHREXQKBBRFFL-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416991758 559342387 /nfs/dbraw/zinc/34/23/87/559342387.db2.gz CRGDZGSQABRUFA-KGLIPLIRSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416991758 559342388 /nfs/dbraw/zinc/34/23/88/559342388.db2.gz CRGDZGSQABRUFA-KGLIPLIRSA-N 1 1 350.419 2.130 20 5 FEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000417994056 559385614 /nfs/dbraw/zinc/38/56/14/559385614.db2.gz QQGOSZPHCLCJFP-HNNXBMFYSA-N 1 1 358.801 2.134 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000420292277 559479122 /nfs/dbraw/zinc/47/91/22/559479122.db2.gz LQAXRGCEBKRQDZ-CVEARBPZSA-N 1 1 360.458 2.108 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000420292277 559479123 /nfs/dbraw/zinc/47/91/23/559479123.db2.gz LQAXRGCEBKRQDZ-CVEARBPZSA-N 1 1 360.458 2.108 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420644970 559494982 /nfs/dbraw/zinc/49/49/82/559494982.db2.gz ZGQQKYAVQVXKHH-CQSZACIVSA-N 1 1 357.414 2.090 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421006720 559519006 /nfs/dbraw/zinc/51/90/06/559519006.db2.gz BPIWESHZQZHISL-KGLIPLIRSA-N 1 1 365.430 2.415 20 5 FEBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000423961048 559648057 /nfs/dbraw/zinc/64/80/57/559648057.db2.gz ZAMMGVZEAGVKMI-UHFFFAOYSA-N 1 1 366.849 2.194 20 5 FEBDMO [NH3+]C[C@@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303968 559661026 /nfs/dbraw/zinc/66/10/26/559661026.db2.gz QCLKQBQGZGVCGG-HOCLYGCPSA-N 1 1 359.405 2.358 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)COC)CC2)c1 ZINC000424990546 559682351 /nfs/dbraw/zinc/68/23/51/559682351.db2.gz LNNNPXNTYNFPNQ-UHFFFAOYSA-N 1 1 365.430 2.176 20 5 FEBDMO CCc1n[nH]c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425005670 559683335 /nfs/dbraw/zinc/68/33/35/559683335.db2.gz LIOHQENSQSWWJF-GOEBONIOSA-N 1 1 369.425 2.227 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425005670 559683336 /nfs/dbraw/zinc/68/33/36/559683336.db2.gz LIOHQENSQSWWJF-GOEBONIOSA-N 1 1 369.425 2.227 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425005670 559683337 /nfs/dbraw/zinc/68/33/37/559683337.db2.gz LIOHQENSQSWWJF-GOEBONIOSA-N 1 1 369.425 2.227 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC[N@@H+]1CCOC ZINC000427019596 559745904 /nfs/dbraw/zinc/74/59/04/559745904.db2.gz AUYNMJSVCKNANK-HNNXBMFYSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC[N@H+]1CCOC ZINC000427019596 559745905 /nfs/dbraw/zinc/74/59/05/559745905.db2.gz AUYNMJSVCKNANK-HNNXBMFYSA-N 1 1 365.430 2.176 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000427376080 559754377 /nfs/dbraw/zinc/75/43/77/559754377.db2.gz KDLCSCOBDTVBSS-CQSZACIVSA-N 1 1 354.410 2.404 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)n1 ZINC000427379023 559754389 /nfs/dbraw/zinc/75/43/89/559754389.db2.gz ZEJHRKHSXFLKMW-UHFFFAOYSA-N 1 1 364.431 2.287 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)n1 ZINC000427379023 559754390 /nfs/dbraw/zinc/75/43/90/559754390.db2.gz ZEJHRKHSXFLKMW-UHFFFAOYSA-N 1 1 364.431 2.287 20 5 FEBDMO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427891746 559764833 /nfs/dbraw/zinc/76/48/33/559764833.db2.gz BMEZSKGPAQCPLT-UHFFFAOYSA-N 1 1 355.394 2.479 20 5 FEBDMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000427891746 559764834 /nfs/dbraw/zinc/76/48/34/559764834.db2.gz BMEZSKGPAQCPLT-UHFFFAOYSA-N 1 1 355.394 2.479 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H]1C(C)C ZINC000429389899 559797734 /nfs/dbraw/zinc/79/77/34/559797734.db2.gz WSYJMFYSGSFPRR-YOEHRIQHSA-N 1 1 363.414 2.361 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429397186 559797783 /nfs/dbraw/zinc/79/77/83/559797783.db2.gz FBBHRAJXMVLYOW-KCXAZCMYSA-N 1 1 363.414 2.441 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429559149 559801458 /nfs/dbraw/zinc/80/14/58/559801458.db2.gz WGGRBRLVADQFRZ-CYBMUJFWSA-N 1 1 362.430 2.160 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000430225121 559815667 /nfs/dbraw/zinc/81/56/67/559815667.db2.gz XBILYNISAMRCSO-NSHDSACASA-N 1 1 365.411 2.102 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000430225120 559815716 /nfs/dbraw/zinc/81/57/16/559815716.db2.gz XBILYNISAMRCSO-LLVKDONJSA-N 1 1 365.411 2.102 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)[C@H]1CCCSC1 ZINC000433197918 559873495 /nfs/dbraw/zinc/87/34/95/559873495.db2.gz UUIIYBXYMHLKME-AWEZNQCLSA-N 1 1 353.444 2.032 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000433197918 559873496 /nfs/dbraw/zinc/87/34/96/559873496.db2.gz UUIIYBXYMHLKME-AWEZNQCLSA-N 1 1 353.444 2.032 20 5 FEBDMO O=C(C[N@@H+](CCO)[C@@H]1CCCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433210329 559873915 /nfs/dbraw/zinc/87/39/15/559873915.db2.gz VOVPKVWTCHOYCB-GFCCVEGCSA-N 1 1 373.862 2.377 20 5 FEBDMO O=C(C[N@H+](CCO)[C@@H]1CCCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433210329 559873916 /nfs/dbraw/zinc/87/39/16/559873916.db2.gz VOVPKVWTCHOYCB-GFCCVEGCSA-N 1 1 373.862 2.377 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNc1nc(N[C@@H]2CCCOC2)cc[nH+]1 ZINC000435347434 559920903 /nfs/dbraw/zinc/92/09/03/559920903.db2.gz ZTCNMHHDVUZUNY-CYBMUJFWSA-N 1 1 359.386 2.596 20 5 FEBDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000436319264 559939797 /nfs/dbraw/zinc/93/97/97/559939797.db2.gz DHVQTIRFWBYBRK-UONOGXRCSA-N 1 1 364.446 2.142 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCc3ccccc3C2)n1 ZINC000439109206 559988610 /nfs/dbraw/zinc/98/86/10/559988610.db2.gz UZBAFQVJIOWKOE-UHFFFAOYSA-N 1 1 356.382 2.247 20 5 FEBDMO NC(=O)c1cccc(NCc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000439104306 559988712 /nfs/dbraw/zinc/98/87/12/559988712.db2.gz BDOCHLRCLBYKCR-UHFFFAOYSA-N 1 1 370.409 2.138 20 5 FEBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000439684960 559998689 /nfs/dbraw/zinc/99/86/89/559998689.db2.gz MXTNYLTUSOLELH-HNNXBMFYSA-N 1 1 356.430 2.315 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000440076013 560004450 /nfs/dbraw/zinc/00/44/50/560004450.db2.gz IXJYMCKQOQNJJS-QWHCGFSZSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000440501400 560012686 /nfs/dbraw/zinc/01/26/86/560012686.db2.gz DRIFAMPCXQCBHU-HXUWFJFHSA-N 1 1 369.421 2.270 20 5 FEBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000440525766 560013715 /nfs/dbraw/zinc/01/37/15/560013715.db2.gz WDHQVYFLZKGBRR-QGZVFWFLSA-N 1 1 361.423 2.023 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000441381176 560030526 /nfs/dbraw/zinc/03/05/26/560030526.db2.gz IPKKSQGTTZFDDD-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443787581 560092877 /nfs/dbraw/zinc/09/28/77/560092877.db2.gz JJGSHGGSMRGTFB-MRXNPFEDSA-N 1 1 367.471 2.088 20 5 FEBDMO COc1cc[nH+]c(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)c1 ZINC000444621969 560116873 /nfs/dbraw/zinc/11/68/73/560116873.db2.gz DPVRLQOAMPCXMF-UHFFFAOYSA-N 1 1 368.397 2.197 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446082308 560139635 /nfs/dbraw/zinc/13/96/35/560139635.db2.gz QHLYQDONGCLOEY-CYBMUJFWSA-N 1 1 355.822 2.397 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000446321475 560144250 /nfs/dbraw/zinc/14/42/50/560144250.db2.gz PNDYERQTNYXAKW-HXUWFJFHSA-N 1 1 369.421 2.270 20 5 FEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000447245798 560158704 /nfs/dbraw/zinc/15/87/04/560158704.db2.gz NXJLHUSPZFBOQK-VXNVDRBHSA-N 1 1 368.242 2.320 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+]1CCCOCC1 ZINC000447812858 560169712 /nfs/dbraw/zinc/16/97/12/560169712.db2.gz OLXGISXVIZXRJQ-UHFFFAOYSA-N 1 1 357.794 2.169 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCC[N@H+]1CCCOCC1 ZINC000447812858 560169713 /nfs/dbraw/zinc/16/97/13/560169713.db2.gz OLXGISXVIZXRJQ-UHFFFAOYSA-N 1 1 357.794 2.169 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447939358 560173889 /nfs/dbraw/zinc/17/38/89/560173889.db2.gz KAFLHKAQXUJQJV-CQSZACIVSA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@@]12C[N@H+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555953 560189842 /nfs/dbraw/zinc/18/98/42/560189842.db2.gz NSHANPLCDLUPSN-NFRFBMBCSA-N 1 1 367.405 2.371 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449493645 560231833 /nfs/dbraw/zinc/23/18/33/560231833.db2.gz FHCWCCFEZFNBHG-WFASDCNBSA-N 1 1 352.387 2.003 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000449616243 560234932 /nfs/dbraw/zinc/23/49/32/560234932.db2.gz CGZXCKBJERYOOA-CQSZACIVSA-N 1 1 366.414 2.130 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c2c(c1)COCO2 ZINC000449674828 560236434 /nfs/dbraw/zinc/23/64/34/560236434.db2.gz WYWSJRUPAWYFPO-YMTOWFKASA-N 1 1 362.304 2.206 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c2c(c1)COCO2 ZINC000449674828 560236435 /nfs/dbraw/zinc/23/64/35/560236435.db2.gz WYWSJRUPAWYFPO-YMTOWFKASA-N 1 1 362.304 2.206 20 5 FEBDMO Cc1cccc(NCCNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000449894230 560244444 /nfs/dbraw/zinc/24/44/44/560244444.db2.gz GJMDYFXHLCFNIE-UHFFFAOYSA-N 1 1 356.382 2.489 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450062191 560249594 /nfs/dbraw/zinc/24/95/94/560249594.db2.gz OJZKQCIVHSRLSI-CVEARBPZSA-N 1 1 369.425 2.479 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC[C@@H]4CCOC4)CC3)nc2c1 ZINC000450741860 560271888 /nfs/dbraw/zinc/27/18/88/560271888.db2.gz YOOYKLXYVQDNRM-CQSZACIVSA-N 1 1 359.430 2.410 20 5 FEBDMO CCc1cc(N2CC[N@@H+](CCO)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450960221 560280033 /nfs/dbraw/zinc/28/00/33/560280033.db2.gz ZVRDWLIRNKELFJ-CQSZACIVSA-N 1 1 371.441 2.117 20 5 FEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)(C)CO ZINC000451244019 560295377 /nfs/dbraw/zinc/29/53/77/560295377.db2.gz DLDJQWQXKGJGMH-UHFFFAOYSA-N 1 1 374.235 2.246 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)(C)CO ZINC000451244019 560295378 /nfs/dbraw/zinc/29/53/78/560295378.db2.gz DLDJQWQXKGJGMH-UHFFFAOYSA-N 1 1 374.235 2.246 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451335598 560301040 /nfs/dbraw/zinc/30/10/40/560301040.db2.gz DEHZQZPQZRHRSJ-QRQLOZEOSA-N 1 1 373.453 2.499 20 5 FEBDMO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545205 560313439 /nfs/dbraw/zinc/31/34/39/560313439.db2.gz HAKYANAKMUHQAQ-HNNXBMFYSA-N 1 1 362.430 2.400 20 5 FEBDMO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545205 560313440 /nfs/dbraw/zinc/31/34/40/560313440.db2.gz HAKYANAKMUHQAQ-HNNXBMFYSA-N 1 1 362.430 2.400 20 5 FEBDMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547203 560313850 /nfs/dbraw/zinc/31/38/50/560313850.db2.gz KNYDNKNTIDNVNQ-QGPMSJSTSA-N 1 1 361.442 2.458 20 5 FEBDMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547203 560313851 /nfs/dbraw/zinc/31/38/51/560313851.db2.gz KNYDNKNTIDNVNQ-QGPMSJSTSA-N 1 1 361.442 2.458 20 5 FEBDMO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451566913 560315340 /nfs/dbraw/zinc/31/53/40/560315340.db2.gz MPTUKHSGHXGQDJ-AWEZNQCLSA-N 1 1 362.430 2.399 20 5 FEBDMO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451566913 560315341 /nfs/dbraw/zinc/31/53/41/560315341.db2.gz MPTUKHSGHXGQDJ-AWEZNQCLSA-N 1 1 362.430 2.399 20 5 FEBDMO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)N1CCO ZINC000451652002 560319556 /nfs/dbraw/zinc/31/95/56/560319556.db2.gz IWAPKVXDRJYJQU-GASCZTMLSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[N@H+]1CCO ZINC000451652002 560319557 /nfs/dbraw/zinc/31/95/57/560319557.db2.gz IWAPKVXDRJYJQU-GASCZTMLSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)[N@@H+]1CCO ZINC000451652002 560319558 /nfs/dbraw/zinc/31/95/58/560319558.db2.gz IWAPKVXDRJYJQU-GASCZTMLSA-N 1 1 374.441 2.179 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000451727304 560324927 /nfs/dbraw/zinc/32/49/27/560324927.db2.gz ANRVXVNMWZLKFI-CQSZACIVSA-N 1 1 362.430 2.309 20 5 FEBDMO CC1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000451758281 560326895 /nfs/dbraw/zinc/32/68/95/560326895.db2.gz PTVSJVVCPQXOJC-XMMPIXPASA-N 1 1 353.444 2.156 20 5 FEBDMO CC1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000451758281 560326896 /nfs/dbraw/zinc/32/68/96/560326896.db2.gz PTVSJVVCPQXOJC-XMMPIXPASA-N 1 1 353.444 2.156 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000451857654 560332898 /nfs/dbraw/zinc/33/28/98/560332898.db2.gz UXEYXAXFGLNONA-CVEARBPZSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000451857654 560332899 /nfs/dbraw/zinc/33/28/99/560332899.db2.gz UXEYXAXFGLNONA-CVEARBPZSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451907975 560336434 /nfs/dbraw/zinc/33/64/34/560336434.db2.gz VSDXLIYHDAIGJG-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452849543 560376282 /nfs/dbraw/zinc/37/62/82/560376282.db2.gz LPBWDVOAMPTBLT-SJLPKXTDSA-N 1 1 361.442 2.410 20 5 FEBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452849543 560376283 /nfs/dbraw/zinc/37/62/83/560376283.db2.gz LPBWDVOAMPTBLT-SJLPKXTDSA-N 1 1 361.442 2.410 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000454076069 560427277 /nfs/dbraw/zinc/42/72/77/560427277.db2.gz ZIEVORQMHADLFO-UHFFFAOYSA-N 1 1 362.430 2.086 20 5 FEBDMO CNc1nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000456000227 560503982 /nfs/dbraw/zinc/50/39/82/560503982.db2.gz QVMBWRYMORTWFD-WFASDCNBSA-N 1 1 359.430 2.120 20 5 FEBDMO CCc1ccc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(NC)n3)CC[NH2+]2)cc1 ZINC000456073595 560506105 /nfs/dbraw/zinc/50/61/05/560506105.db2.gz VEERLQKVVQTOGA-INIZCTEOSA-N 1 1 369.425 2.381 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456316465 560515099 /nfs/dbraw/zinc/51/50/99/560515099.db2.gz AFECTYJRGVJQGA-HNNXBMFYSA-N 1 1 371.441 2.080 20 5 FEBDMO CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517297 560629354 /nfs/dbraw/zinc/62/93/54/560629354.db2.gz SHKGYZUZNUCLIV-IAGOWNOFSA-N 1 1 364.446 2.192 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458707287 560642380 /nfs/dbraw/zinc/64/23/80/560642380.db2.gz PKVGBWPSUAJPDX-ZDUSSCGKSA-N 1 1 360.418 2.095 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000459531297 560692341 /nfs/dbraw/zinc/69/23/41/560692341.db2.gz VCLOPQXSDBKRTR-UHFFFAOYSA-N 1 1 355.414 2.081 20 5 FEBDMO CN(CCCN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000459531297 560692342 /nfs/dbraw/zinc/69/23/42/560692342.db2.gz VCLOPQXSDBKRTR-UHFFFAOYSA-N 1 1 355.414 2.081 20 5 FEBDMO CC(C)N1C(=O)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000464737905 560849522 /nfs/dbraw/zinc/84/95/22/560849522.db2.gz UDJNSKIBRWSJHD-UHFFFAOYSA-N 1 1 362.430 2.255 20 5 FEBDMO CC(C)N1C(=O)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000464737905 560849523 /nfs/dbraw/zinc/84/95/23/560849523.db2.gz UDJNSKIBRWSJHD-UHFFFAOYSA-N 1 1 362.430 2.255 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000467072573 560902958 /nfs/dbraw/zinc/90/29/58/560902958.db2.gz BQNLHEJMNZJMSJ-CMPLNLGQSA-N 1 1 361.489 2.458 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000468440546 560930009 /nfs/dbraw/zinc/93/00/09/560930009.db2.gz VZPALZIVRFOKGU-CQSZACIVSA-N 1 1 362.430 2.099 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000468476288 560930930 /nfs/dbraw/zinc/93/09/30/560930930.db2.gz SDQYBVVRCQTHSY-INIZCTEOSA-N 1 1 363.414 2.216 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000470150025 560975370 /nfs/dbraw/zinc/97/53/70/560975370.db2.gz GBQJHKOBNMRTRV-LRDDRELGSA-N 1 1 358.398 2.379 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000471802012 561012198 /nfs/dbraw/zinc/01/21/98/561012198.db2.gz YWIUUFWTKZTAIU-HZPDHXFCSA-N 1 1 371.441 2.439 20 5 FEBDMO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000472559886 561029298 /nfs/dbraw/zinc/02/92/98/561029298.db2.gz HWEPMXTWSQBIKP-VXGBXAGGSA-N 1 1 366.393 2.052 20 5 FEBDMO Cc1c(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000473295484 561046912 /nfs/dbraw/zinc/04/69/12/561046912.db2.gz XSZFZGGSXWDZLF-HNNXBMFYSA-N 1 1 374.441 2.032 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000473995652 561063264 /nfs/dbraw/zinc/06/32/64/561063264.db2.gz SWTYLSFRQWBMEU-CYBMUJFWSA-N 1 1 366.395 2.031 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722718 561103322 /nfs/dbraw/zinc/10/33/22/561103322.db2.gz STDDJWULRFRNRM-GJZGRUSLSA-N 1 1 364.398 2.005 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000476067138 561110727 /nfs/dbraw/zinc/11/07/27/561110727.db2.gz ZSFHMRALFMFCCZ-AWEZNQCLSA-N 1 1 371.441 2.490 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476649403 561125201 /nfs/dbraw/zinc/12/52/01/561125201.db2.gz RYAIHMOGRUNKTJ-ZIAGYGMSSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476649403 561125202 /nfs/dbraw/zinc/12/52/02/561125202.db2.gz RYAIHMOGRUNKTJ-ZIAGYGMSSA-N 1 1 357.414 2.063 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000531137277 562435859 /nfs/dbraw/zinc/43/58/59/562435859.db2.gz QNWUHQSJSJGEJI-HOCLYGCPSA-N 1 1 364.446 2.488 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000533447335 562509061 /nfs/dbraw/zinc/50/90/61/562509061.db2.gz JSCSWVLUYUHFAY-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000535271195 562554653 /nfs/dbraw/zinc/55/46/53/562554653.db2.gz PRHSDHAPYJJABE-MRXNPFEDSA-N 1 1 351.366 2.388 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000535271195 562554654 /nfs/dbraw/zinc/55/46/54/562554654.db2.gz PRHSDHAPYJJABE-MRXNPFEDSA-N 1 1 351.366 2.388 20 5 FEBDMO COCCO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000535579158 562561868 /nfs/dbraw/zinc/56/18/68/562561868.db2.gz HYNVCMBYQRWYIG-INIZCTEOSA-N 1 1 352.387 2.089 20 5 FEBDMO COCCO[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000535579158 562561869 /nfs/dbraw/zinc/56/18/69/562561869.db2.gz HYNVCMBYQRWYIG-INIZCTEOSA-N 1 1 352.387 2.089 20 5 FEBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000536536695 562578206 /nfs/dbraw/zinc/57/82/06/562578206.db2.gz LAXZDGYJVQAOEU-NSHDSACASA-N 1 1 371.426 2.232 20 5 FEBDMO COc1cc(C[N@@H+](C)C2CCC(NC(C)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000541535199 562614774 /nfs/dbraw/zinc/61/47/74/562614774.db2.gz CMDSSCULNJKGBP-UHFFFAOYSA-N 1 1 365.430 2.491 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000555995500 674384609 /nfs/dbraw/zinc/38/46/09/674384609.db2.gz HSVAYNRVEVBRAA-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809815734 674511911 /nfs/dbraw/zinc/51/19/11/674511911.db2.gz PPHWMTBRXRHKOL-VIFPVBQESA-N 1 1 365.814 2.007 20 5 FEBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222104 606185722 /nfs/dbraw/zinc/18/57/22/606185722.db2.gz OROULMLLLUFJEP-GFCCVEGCSA-N 1 1 356.390 2.055 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)cc1 ZINC000826499097 608498758 /nfs/dbraw/zinc/49/87/58/608498758.db2.gz VTVMMUWSJLTXOQ-UHFFFAOYSA-N 1 1 371.426 2.159 20 5 FEBDMO Cc1cc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sn1 ZINC001048607855 675012106 /nfs/dbraw/zinc/01/21/06/675012106.db2.gz OGMNIELJMDMTLZ-RRCSTGOVSA-N 1 1 366.487 2.129 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3F)C[C@@H]2C1 ZINC001048814347 675015433 /nfs/dbraw/zinc/01/54/33/675015433.db2.gz GJDRRORJRASEGN-FAXLKDOZSA-N 1 1 367.808 2.035 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750302 675077167 /nfs/dbraw/zinc/07/71/67/675077167.db2.gz LDLOYDINFHOUKB-CABCVRRESA-N 1 1 353.806 2.183 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000817151529 675106247 /nfs/dbraw/zinc/10/62/47/675106247.db2.gz SUXNJAGXCMDVFA-VIFPVBQESA-N 1 1 365.814 2.102 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000093003508 670747651 /nfs/dbraw/zinc/74/76/51/670747651.db2.gz FDBOMPLTENKHKY-CYBMUJFWSA-N 1 1 373.450 2.395 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1SC ZINC000570789060 670769696 /nfs/dbraw/zinc/76/96/96/670769696.db2.gz XXDDVAXTCNZXSK-GHMZBOCLSA-N 1 1 353.444 2.490 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1SC ZINC000570789060 670769701 /nfs/dbraw/zinc/76/97/01/670769701.db2.gz XXDDVAXTCNZXSK-GHMZBOCLSA-N 1 1 353.444 2.490 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000573339547 671111126 /nfs/dbraw/zinc/11/11/26/671111126.db2.gz OGZONVZREUYQPA-LLVKDONJSA-N 1 1 361.489 2.363 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000573639774 671146465 /nfs/dbraw/zinc/14/64/65/671146465.db2.gz XAIKRKBFLDJUSJ-INIZCTEOSA-N 1 1 353.444 2.031 20 5 FEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000610133821 675955921 /nfs/dbraw/zinc/95/59/21/675955921.db2.gz IJFRZMMUTRRQSZ-HYVNUMGLSA-N 1 1 352.431 2.470 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000610135421 675956219 /nfs/dbraw/zinc/95/62/19/675956219.db2.gz RPNIGPWYNYLVOO-ZIAGYGMSSA-N 1 1 355.460 2.397 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000583766007 672124294 /nfs/dbraw/zinc/12/42/94/672124294.db2.gz OKHJKAOGYZEVBQ-KRWDZBQOSA-N 1 1 367.471 2.318 20 5 FEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610906173 676004902 /nfs/dbraw/zinc/00/49/02/676004902.db2.gz QQIKGRKRNYPBAE-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000590776510 672616550 /nfs/dbraw/zinc/61/65/50/672616550.db2.gz FGHXIBGLBIJTLL-RNCFNFMXSA-N 1 1 354.204 2.133 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590925483 672633103 /nfs/dbraw/zinc/63/31/03/672633103.db2.gz GWJDPNKHOYRBBT-CQSZACIVSA-N 1 1 350.419 2.005 20 5 FEBDMO CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000591925681 672722208 /nfs/dbraw/zinc/72/22/08/672722208.db2.gz WPVPPWNIXFMDEX-AWEZNQCLSA-N 1 1 350.419 2.229 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593132154 672880923 /nfs/dbraw/zinc/88/09/23/672880923.db2.gz YIKVVFNHBWBGPY-QWHCGFSZSA-N 1 1 352.362 2.374 20 5 FEBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187991 672888135 /nfs/dbraw/zinc/88/81/35/672888135.db2.gz SMBCXZWSPBVEAX-UTUOFQBUSA-N 1 1 351.403 2.165 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCC[N@@H+](C)CC(C)C ZINC000593317756 672908300 /nfs/dbraw/zinc/90/83/00/672908300.db2.gz WUEYDNDNBLVTSW-UHFFFAOYSA-N 1 1 352.435 2.381 20 5 FEBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107219 673031774 /nfs/dbraw/zinc/03/17/74/673031774.db2.gz JXEYQAWQFYDOII-UPJWGTAASA-N 1 1 369.849 2.405 20 5 FEBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594107219 673031777 /nfs/dbraw/zinc/03/17/77/673031777.db2.gz JXEYQAWQFYDOII-UPJWGTAASA-N 1 1 369.849 2.405 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594484376 673088309 /nfs/dbraw/zinc/08/83/09/673088309.db2.gz QJUOVQVGWIICJW-UONOGXRCSA-N 1 1 357.407 2.029 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749830 673128411 /nfs/dbraw/zinc/12/84/11/673128411.db2.gz AWBWYHRCZMMSEG-HZSPNIEDSA-N 1 1 368.459 2.016 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594789656 673143068 /nfs/dbraw/zinc/14/30/68/673143068.db2.gz JLZWHIJASOWPEY-LLVKDONJSA-N 1 1 359.423 2.133 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000595411733 673246139 /nfs/dbraw/zinc/24/61/39/673246139.db2.gz SKZPQIAMRBXMLU-HNNXBMFYSA-N 1 1 367.471 2.304 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000595467306 673254513 /nfs/dbraw/zinc/25/45/13/673254513.db2.gz JYTGLDHMFRCCNV-AWEZNQCLSA-N 1 1 350.419 2.275 20 5 FEBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595815280 673327403 /nfs/dbraw/zinc/32/74/03/673327403.db2.gz NQMPUXLVODJJIN-HUUCEWRRSA-N 1 1 350.415 2.368 20 5 FEBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000596147942 673363005 /nfs/dbraw/zinc/36/30/05/673363005.db2.gz YLEVTMMCEMZVRY-KRWDZBQOSA-N 1 1 362.817 2.114 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596433985 673384945 /nfs/dbraw/zinc/38/49/45/673384945.db2.gz VYDYBJNLBPPMCW-QWHCGFSZSA-N 1 1 351.403 2.293 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596433985 673384949 /nfs/dbraw/zinc/38/49/49/673384949.db2.gz VYDYBJNLBPPMCW-QWHCGFSZSA-N 1 1 351.403 2.293 20 5 FEBDMO NS(=O)(=O)c1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000596480158 673388788 /nfs/dbraw/zinc/38/87/88/673388788.db2.gz WMPFFEWXXJVRBY-GFCCVEGCSA-N 1 1 368.459 2.061 20 5 FEBDMO NS(=O)(=O)c1cccc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596479734 673388800 /nfs/dbraw/zinc/38/88/00/673388800.db2.gz PHRPCWRUVOFXFS-LBPRGKRZSA-N 1 1 368.459 2.061 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000597861753 673513791 /nfs/dbraw/zinc/51/37/91/673513791.db2.gz WWMMYRNMYHYCEW-CQSZACIVSA-N 1 1 351.451 2.035 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598603476 673588597 /nfs/dbraw/zinc/58/85/97/673588597.db2.gz UKSUBNUXVSBKJD-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000598618539 673591371 /nfs/dbraw/zinc/59/13/71/673591371.db2.gz JCEQVFNCAWLWAJ-AGUYFDCRSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000542750205 673601889 /nfs/dbraw/zinc/60/18/89/673601889.db2.gz AQNTUMSYAUYROU-CYBMUJFWSA-N 1 1 355.460 2.364 20 5 FEBDMO COc1cc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000543062810 673623288 /nfs/dbraw/zinc/62/32/88/673623288.db2.gz KFMATMPLWIZWOJ-LLVKDONJSA-N 1 1 365.411 2.102 20 5 FEBDMO C[C@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599104759 673633758 /nfs/dbraw/zinc/63/37/58/673633758.db2.gz NNVPXROHZNAURM-IONNQARKSA-N 1 1 368.242 2.320 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599125641 673634857 /nfs/dbraw/zinc/63/48/57/673634857.db2.gz IIBMLUQVFIWELI-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c(F)c1 ZINC000599390523 673668254 /nfs/dbraw/zinc/66/82/54/673668254.db2.gz JHXFUEPOZSRLNV-AWEZNQCLSA-N 1 1 371.434 2.419 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000599412463 673671960 /nfs/dbraw/zinc/67/19/60/673671960.db2.gz JDFLNDXMPROQPC-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599464726 673678496 /nfs/dbraw/zinc/67/84/96/673678496.db2.gz RFAVBFPUUUSYBL-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC3(CCOCC3)CC[C@@H]2CO)cc1 ZINC000599544275 673690048 /nfs/dbraw/zinc/69/00/48/673690048.db2.gz YTVILXIFKPALNU-MRXNPFEDSA-N 1 1 350.415 2.227 20 5 FEBDMO COCCc1ncc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601149529 673829202 /nfs/dbraw/zinc/82/92/02/673829202.db2.gz NPQPMFYYQDGDJC-INIZCTEOSA-N 1 1 351.428 2.238 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000601372458 673850480 /nfs/dbraw/zinc/85/04/80/673850480.db2.gz YTWQAANKXQWOMY-NEPJUHHUSA-N 1 1 359.473 2.070 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])s1 ZINC000601422266 673860075 /nfs/dbraw/zinc/86/00/75/673860075.db2.gz RVZRAFNANIALDG-AWEZNQCLSA-N 1 1 359.473 2.071 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCCCO)CC1 ZINC000745997081 673860482 /nfs/dbraw/zinc/86/04/82/673860482.db2.gz JINZOQVLJZWLDF-UHFFFAOYSA-N 1 1 356.810 2.170 20 5 FEBDMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602722302 673910120 /nfs/dbraw/zinc/91/01/20/673910120.db2.gz AUCKHSMSIKAIQQ-CQSZACIVSA-N 1 1 362.304 2.378 20 5 FEBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602722302 673910121 /nfs/dbraw/zinc/91/01/21/673910121.db2.gz AUCKHSMSIKAIQQ-CQSZACIVSA-N 1 1 362.304 2.378 20 5 FEBDMO O=[N+]([O-])c1ccc(CN2CC[NH+](CCc3cnccn3)CC2)c(Cl)c1 ZINC000602742469 673910928 /nfs/dbraw/zinc/91/09/28/673910928.db2.gz FYSVJBDADKRKOW-UHFFFAOYSA-N 1 1 361.833 2.399 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000602889782 673912871 /nfs/dbraw/zinc/91/28/71/673912871.db2.gz VMQVGTKWCTWPRM-RBSFLKMASA-N 1 1 350.419 2.153 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000567771250 675320733 /nfs/dbraw/zinc/32/07/33/675320733.db2.gz WQIQEKIKZFHWQD-SWLSCSKDSA-N 1 1 355.460 2.118 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)C2)C1 ZINC000820341550 675355500 /nfs/dbraw/zinc/35/55/00/675355500.db2.gz FPRRLZWFYKGTAT-HNNXBMFYSA-N 1 1 356.785 2.137 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000823025184 675524048 /nfs/dbraw/zinc/52/40/48/675524048.db2.gz MTNWEJNEGAYCKO-SNVBAGLBSA-N 1 1 354.382 2.152 20 5 FEBDMO O=C(N1C[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1)C(F)(F)F ZINC000824827119 675623734 /nfs/dbraw/zinc/62/37/34/675623734.db2.gz ANLSGRSDCUVKPI-CHWSQXEVSA-N 1 1 357.332 2.437 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827288895 675745665 /nfs/dbraw/zinc/74/56/65/675745665.db2.gz PUKUNNBOAIMPFG-NEPJUHHUSA-N 1 1 355.341 2.362 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000828337800 675813995 /nfs/dbraw/zinc/81/39/95/675813995.db2.gz BNXBCKOVNYSINX-VHSXEESVSA-N 1 1 368.821 2.371 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000828337800 675813998 /nfs/dbraw/zinc/81/39/98/675813998.db2.gz BNXBCKOVNYSINX-VHSXEESVSA-N 1 1 368.821 2.371 20 5 FEBDMO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000839670985 680770641 /nfs/dbraw/zinc/77/06/41/680770641.db2.gz XQJFGSIGVJYBKU-GFCCVEGCSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000839670985 680770642 /nfs/dbraw/zinc/77/06/42/680770642.db2.gz XQJFGSIGVJYBKU-GFCCVEGCSA-N 1 1 368.821 2.176 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1[N+](=O)[O-] ZINC000831285793 679960748 /nfs/dbraw/zinc/96/07/48/679960748.db2.gz OXLYAIJCOAAWOE-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)C1 ZINC000749999858 680094546 /nfs/dbraw/zinc/09/45/46/680094546.db2.gz MKDNBRGKAONFAJ-ZDUSSCGKSA-N 1 1 366.849 2.100 20 5 FEBDMO Cc1cc(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@@]3(C)C2)cs1 ZINC000982278827 680274637 /nfs/dbraw/zinc/27/46/37/680274637.db2.gz SHGHONPGTFNZON-AHCXZYCDSA-N 1 1 363.483 2.392 20 5 FEBDMO Cc1cc(C[N@@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@]3(C)C2)cs1 ZINC000982278827 680274641 /nfs/dbraw/zinc/27/46/41/680274641.db2.gz SHGHONPGTFNZON-AHCXZYCDSA-N 1 1 363.483 2.392 20 5 FEBDMO Cc1cc(C[N@H+]2C[C@@]3(C)CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@@]3(C)C2)cs1 ZINC000982278827 680274642 /nfs/dbraw/zinc/27/46/42/680274642.db2.gz SHGHONPGTFNZON-AHCXZYCDSA-N 1 1 363.483 2.392 20 5 FEBDMO Cc1cccc(Cl)c1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983656253 680318683 /nfs/dbraw/zinc/31/86/83/680318683.db2.gz ZYTLWBPFOJIHJU-BRXULGCHSA-N 1 1 351.834 2.298 20 5 FEBDMO COc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996428850 680332157 /nfs/dbraw/zinc/33/21/57/680332157.db2.gz JBLHKACZJLSJBS-HUUCEWRRSA-N 1 1 367.833 2.094 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754987652 680392508 /nfs/dbraw/zinc/39/25/08/680392508.db2.gz LUUAHYWVEIQTLD-VIFPVBQESA-N 1 1 372.194 2.463 20 5 FEBDMO C[N@@H+](CC1CCC(F)(F)CC1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985427110 680447373 /nfs/dbraw/zinc/44/73/73/680447373.db2.gz XENMPIZJMUBWIH-HUUCEWRRSA-N 1 1 359.417 2.400 20 5 FEBDMO C[N@H+](CC1CCC(F)(F)CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985427110 680447376 /nfs/dbraw/zinc/44/73/76/680447376.db2.gz XENMPIZJMUBWIH-HUUCEWRRSA-N 1 1 359.417 2.400 20 5 FEBDMO C[N@@H+](CC1CCC(F)(F)CC1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985427110 680447379 /nfs/dbraw/zinc/44/73/79/680447379.db2.gz XENMPIZJMUBWIH-HUUCEWRRSA-N 1 1 359.417 2.400 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](Cc2cncs2)CC2CC2)CC1 ZINC001039485481 680463996 /nfs/dbraw/zinc/46/39/96/680463996.db2.gz AJVPZJOXWJOBMH-HZPDHXFCSA-N 1 1 364.471 2.011 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](Cc2cncs2)CC2CC2)CC1 ZINC001039485481 680463997 /nfs/dbraw/zinc/46/39/97/680463997.db2.gz AJVPZJOXWJOBMH-HZPDHXFCSA-N 1 1 364.471 2.011 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](Cc2cncs2)CC2CC2)CC1 ZINC001039485481 680463998 /nfs/dbraw/zinc/46/39/98/680463998.db2.gz AJVPZJOXWJOBMH-HZPDHXFCSA-N 1 1 364.471 2.011 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NCC[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000837175592 680563472 /nfs/dbraw/zinc/56/34/72/680563472.db2.gz ULXPYNGOIJNTRZ-UHFFFAOYSA-N 1 1 352.410 2.404 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000759774235 680666859 /nfs/dbraw/zinc/66/68/59/680666859.db2.gz KTJNMWUPQMFYKF-YPMHNXCESA-N 1 1 373.450 2.441 20 5 FEBDMO C[N@H+](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCSC1 ZINC000767117917 680899790 /nfs/dbraw/zinc/89/97/90/680899790.db2.gz URASTKJOSFFUQU-LLVKDONJSA-N 1 1 351.384 2.217 20 5 FEBDMO C[N@@H+](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCSC1 ZINC000767117917 680899792 /nfs/dbraw/zinc/89/97/92/680899792.db2.gz URASTKJOSFFUQU-LLVKDONJSA-N 1 1 351.384 2.217 20 5 FEBDMO O=C(CCN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475666 680949289 /nfs/dbraw/zinc/94/92/89/680949289.db2.gz XSFXEBKQOQSOOJ-KRWDZBQOSA-N 1 1 350.394 2.138 20 5 FEBDMO C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C[C@](C)(O)c1ccccc1 ZINC000842628472 680955793 /nfs/dbraw/zinc/95/57/93/680955793.db2.gz WFDTYHOPHAEAHB-AWEZNQCLSA-N 1 1 369.219 2.351 20 5 FEBDMO C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C[C@](C)(O)c1ccccc1 ZINC000842628472 680955795 /nfs/dbraw/zinc/95/57/95/680955795.db2.gz WFDTYHOPHAEAHB-AWEZNQCLSA-N 1 1 369.219 2.351 20 5 FEBDMO CN(CCOC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000774017463 681164886 /nfs/dbraw/zinc/16/48/86/681164886.db2.gz OZMOWRTUSSPEIY-HNNXBMFYSA-N 1 1 353.444 2.012 20 5 FEBDMO CN(CCOC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000774017463 681164888 /nfs/dbraw/zinc/16/48/88/681164888.db2.gz OZMOWRTUSSPEIY-HNNXBMFYSA-N 1 1 353.444 2.012 20 5 FEBDMO C[N@H+](CC(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[C@H]1CCSC1 ZINC000774178001 681171638 /nfs/dbraw/zinc/17/16/38/681171638.db2.gz SVGLOUKVDCHLAD-BFHYXJOUSA-N 1 1 368.459 2.256 20 5 FEBDMO C[N@@H+](CC(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[C@H]1CCSC1 ZINC000774178001 681171640 /nfs/dbraw/zinc/17/16/40/681171640.db2.gz SVGLOUKVDCHLAD-BFHYXJOUSA-N 1 1 368.459 2.256 20 5 FEBDMO C[N@H+](CC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@H]1CCSC1 ZINC000774178007 681171716 /nfs/dbraw/zinc/17/17/16/681171716.db2.gz SVGLOUKVDCHLAD-MELADBBJSA-N 1 1 368.459 2.256 20 5 FEBDMO C[N@@H+](CC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@H]1CCSC1 ZINC000774178007 681171717 /nfs/dbraw/zinc/17/17/17/681171717.db2.gz SVGLOUKVDCHLAD-MELADBBJSA-N 1 1 368.459 2.256 20 5 FEBDMO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000776277636 681378760 /nfs/dbraw/zinc/37/87/60/681378760.db2.gz NVHVADGRJBBBDC-MRXNPFEDSA-N 1 1 362.817 2.499 20 5 FEBDMO C[C@@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000933279331 681386168 /nfs/dbraw/zinc/38/61/68/681386168.db2.gz QTCWYGILLLINEL-ZDUSSCGKSA-N 1 1 369.849 2.265 20 5 FEBDMO Cn1cc(C[N@@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])n1 ZINC000933710422 681455530 /nfs/dbraw/zinc/45/55/30/681455530.db2.gz UHMXIVAHOCRFRD-SECBINFHSA-N 1 1 356.308 2.127 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])n1 ZINC000933710422 681455533 /nfs/dbraw/zinc/45/55/33/681455533.db2.gz UHMXIVAHOCRFRD-SECBINFHSA-N 1 1 356.308 2.127 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000777802385 681532082 /nfs/dbraw/zinc/53/20/82/681532082.db2.gz QLJWOSHRVSCGJO-VIFPVBQESA-N 1 1 372.353 2.215 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848509028 681566264 /nfs/dbraw/zinc/56/62/64/681566264.db2.gz RJAXNFMHXKLWAI-ZIAGYGMSSA-N 1 1 371.434 2.338 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934640750 681604466 /nfs/dbraw/zinc/60/44/66/681604466.db2.gz ABBOAOXGEWNNCB-MRXNPFEDSA-N 1 1 350.415 2.491 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934640750 681604470 /nfs/dbraw/zinc/60/44/70/681604470.db2.gz ABBOAOXGEWNNCB-MRXNPFEDSA-N 1 1 350.415 2.491 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1F ZINC000849412180 681719944 /nfs/dbraw/zinc/71/99/44/681719944.db2.gz HNOOUPUFDLHVBZ-LLVKDONJSA-N 1 1 359.423 2.193 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])c1F ZINC000849412180 681719946 /nfs/dbraw/zinc/71/99/46/681719946.db2.gz HNOOUPUFDLHVBZ-LLVKDONJSA-N 1 1 359.423 2.193 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000779910099 681770342 /nfs/dbraw/zinc/77/03/42/681770342.db2.gz MRUWOYVIJKQNFZ-JQWIXIFHSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000779910099 681770346 /nfs/dbraw/zinc/77/03/46/681770346.db2.gz MRUWOYVIJKQNFZ-JQWIXIFHSA-N 1 1 373.862 2.318 20 5 FEBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[NH+](CCCCCO)CC1 ZINC000913691672 685482297 /nfs/dbraw/zinc/48/22/97/685482297.db2.gz HFKZYZNLIGTTIQ-UHFFFAOYSA-N 1 1 355.822 2.169 20 5 FEBDMO CC1([NH2+]Cc2cccc(F)c2F)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940108149 682029867 /nfs/dbraw/zinc/02/98/67/682029867.db2.gz XEMCHUVSNIMUEJ-TZMCWYRMSA-N 1 1 353.369 2.101 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000784719460 682248364 /nfs/dbraw/zinc/24/83/64/682248364.db2.gz ASRDQWQLFGDBAA-AAEUAGOBSA-N 1 1 373.450 2.441 20 5 FEBDMO C[C@@]12COC[C@]1(C)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C2 ZINC000852463377 682285245 /nfs/dbraw/zinc/28/52/45/682285245.db2.gz QGSYBCAHVZRWPD-CALCHBBNSA-N 1 1 351.378 2.421 20 5 FEBDMO O=C1CC[C@H]2C[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@@H]2N1 ZINC000853555875 682433065 /nfs/dbraw/zinc/43/30/65/682433065.db2.gz RAFSRNBARRLZMW-JQWIXIFHSA-N 1 1 362.411 2.430 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@@H]2N1 ZINC000853555875 682433070 /nfs/dbraw/zinc/43/30/70/682433070.db2.gz RAFSRNBARRLZMW-JQWIXIFHSA-N 1 1 362.411 2.430 20 5 FEBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000854568135 682565408 /nfs/dbraw/zinc/56/54/08/682565408.db2.gz IELGZWXQFZQPIJ-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000855285918 682653617 /nfs/dbraw/zinc/65/36/17/682653617.db2.gz JMEQPCVXKYAVSW-VIFPVBQESA-N 1 1 371.235 2.355 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000790265620 682663455 /nfs/dbraw/zinc/66/34/55/682663455.db2.gz NNFBRECQIDGEBD-CMPLNLGQSA-N 1 1 369.805 2.310 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000790584776 682686484 /nfs/dbraw/zinc/68/64/84/682686484.db2.gz WLQXRBDQDHPEEE-HNNXBMFYSA-N 1 1 353.394 2.349 20 5 FEBDMO C[C@H](C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860096254 683201178 /nfs/dbraw/zinc/20/11/78/683201178.db2.gz VVADICQQQRBVAV-DOMZBBRYSA-N 1 1 353.419 2.473 20 5 FEBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000919853532 683303892 /nfs/dbraw/zinc/30/38/92/683303892.db2.gz JMVMYBCSRLLJRG-WDEREUQCSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000919853532 683303895 /nfs/dbraw/zinc/30/38/95/683303895.db2.gz JMVMYBCSRLLJRG-WDEREUQCSA-N 1 1 359.835 2.105 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000921347696 683434185 /nfs/dbraw/zinc/43/41/85/683434185.db2.gz XKOUHANJQIPXJG-BXUZGUMPSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000921347696 683434189 /nfs/dbraw/zinc/43/41/89/683434189.db2.gz XKOUHANJQIPXJG-BXUZGUMPSA-N 1 1 373.862 2.271 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823665 683480191 /nfs/dbraw/zinc/48/01/91/683480191.db2.gz AFYPYLFMZOHZRC-TZMCWYRMSA-N 1 1 353.806 2.183 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000862031419 683519060 /nfs/dbraw/zinc/51/90/60/683519060.db2.gz GNBVCBILGCTEFA-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)c(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000930089060 683677839 /nfs/dbraw/zinc/67/78/39/683677839.db2.gz GATWPRKAZKLHKO-CQSZACIVSA-N 1 1 370.247 2.264 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000930883802 683796789 /nfs/dbraw/zinc/79/67/89/683796789.db2.gz IRCKPVROOLFUET-GXTWGEPZSA-N 1 1 366.443 2.305 20 5 FEBDMO C[N@@H+]1CCO[C@H](CSCc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000865370948 683975131 /nfs/dbraw/zinc/97/51/31/683975131.db2.gz XUXPRGAGNRKSII-NSHDSACASA-N 1 1 350.400 2.209 20 5 FEBDMO C[N@H+]1CCO[C@H](CSCc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000865370948 683975134 /nfs/dbraw/zinc/97/51/34/683975134.db2.gz XUXPRGAGNRKSII-NSHDSACASA-N 1 1 350.400 2.209 20 5 FEBDMO Cn1nc(Br)cc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000865705774 684016799 /nfs/dbraw/zinc/01/67/99/684016799.db2.gz ZROJOXRUTQNTMC-CQSZACIVSA-N 1 1 369.219 2.088 20 5 FEBDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867220383 684227981 /nfs/dbraw/zinc/22/79/81/684227981.db2.gz LVDCRKMHDNJYBW-GFCCVEGCSA-N 1 1 359.423 2.147 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867220383 684227982 /nfs/dbraw/zinc/22/79/82/684227982.db2.gz LVDCRKMHDNJYBW-GFCCVEGCSA-N 1 1 359.423 2.147 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SC ZINC000931990584 684384323 /nfs/dbraw/zinc/38/43/23/684384323.db2.gz RNOQTBAONSBBBA-CYBMUJFWSA-N 1 1 353.444 2.157 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925137594 684527393 /nfs/dbraw/zinc/52/73/93/684527393.db2.gz DCWCZSKQCUGCSN-JSGCOSHPSA-N 1 1 366.443 2.305 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877791957 686463096 /nfs/dbraw/zinc/46/30/96/686463096.db2.gz LFJDNDVRQVNKMG-HUTFFOLGSA-N 1 1 350.440 2.365 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877791957 686463101 /nfs/dbraw/zinc/46/31/01/686463101.db2.gz LFJDNDVRQVNKMG-HUTFFOLGSA-N 1 1 350.440 2.365 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879574993 686861003 /nfs/dbraw/zinc/86/10/03/686861003.db2.gz HSEQODXHHGJAQV-FZMZJTMJSA-N 1 1 352.822 2.213 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000879575948 686861721 /nfs/dbraw/zinc/86/17/21/686861721.db2.gz PCTPZLBCJBIURA-FZMZJTMJSA-N 1 1 352.822 2.213 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583414 686863255 /nfs/dbraw/zinc/86/32/55/686863255.db2.gz YUUONQVVUHQOKW-BLLLJJGKSA-N 1 1 350.394 2.089 20 5 FEBDMO CC1(C)[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000880500179 687054421 /nfs/dbraw/zinc/05/44/21/687054421.db2.gz UDVLVABYHCFDDJ-GJZGRUSLSA-N 1 1 367.833 2.477 20 5 FEBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000882181420 687318498 /nfs/dbraw/zinc/31/84/98/687318498.db2.gz GQGLQQNLXQLPSQ-SNVBAGLBSA-N 1 1 360.183 2.017 20 5 FEBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000882181420 687318503 /nfs/dbraw/zinc/31/85/03/687318503.db2.gz GQGLQQNLXQLPSQ-SNVBAGLBSA-N 1 1 360.183 2.017 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000885872820 688174825 /nfs/dbraw/zinc/17/48/25/688174825.db2.gz KMRPECXMLLBQGN-GFCCVEGCSA-N 1 1 353.806 2.231 20 5 FEBDMO CCOc1cc(N2CC[NH+](C[C@](C)(O)C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000886181603 688211526 /nfs/dbraw/zinc/21/15/26/688211526.db2.gz PHTVQIFYNLEPGI-INIZCTEOSA-N 1 1 359.373 2.132 20 5 FEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000888285929 688577522 /nfs/dbraw/zinc/57/75/22/688577522.db2.gz AIIJOLLKWPUVQO-LBPRGKRZSA-N 1 1 370.837 2.477 20 5 FEBDMO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895567516 689736771 /nfs/dbraw/zinc/73/67/71/689736771.db2.gz QSJLOHLWFWJUFH-CHWSQXEVSA-N 1 1 366.443 2.158 20 5 FEBDMO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895567516 689736775 /nfs/dbraw/zinc/73/67/75/689736775.db2.gz QSJLOHLWFWJUFH-CHWSQXEVSA-N 1 1 366.443 2.158 20 5 FEBDMO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000897889970 690097336 /nfs/dbraw/zinc/09/73/36/690097336.db2.gz CQAYZHRZHAIZDY-NXEZZACHSA-N 1 1 351.222 2.312 20 5 FEBDMO C[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000899736998 690416480 /nfs/dbraw/zinc/41/64/80/690416480.db2.gz WARYYXCUYLDADJ-UHFFFAOYSA-N 1 1 367.471 2.283 20 5 FEBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000902541573 690776714 /nfs/dbraw/zinc/77/67/14/690776714.db2.gz HAEAVVFLWBEKDI-NSHDSACASA-N 1 1 360.256 2.173 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906572608 691285601 /nfs/dbraw/zinc/28/56/01/691285601.db2.gz JYBFTPNQKSIYGB-OAHLLOKOSA-N 1 1 369.849 2.408 20 5 FEBDMO Nc1c(Cl)cc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000907792055 691561257 /nfs/dbraw/zinc/56/12/57/691561257.db2.gz COVYYIUPJGYWNA-NWDGAFQWSA-N 1 1 356.785 2.089 20 5 FEBDMO COc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-] ZINC001164621730 719051899 /nfs/dbraw/zinc/05/18/99/719051899.db2.gz JPMUQHSNXHCUCT-DOTOQJQBSA-N 1 1 369.425 2.494 20 5 FEBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC001164643071 719159229 /nfs/dbraw/zinc/15/92/29/719159229.db2.gz ZHGZTSMHPFTXPN-NXEZZACHSA-N 1 1 356.810 2.349 20 5 FEBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC001164643071 719159231 /nfs/dbraw/zinc/15/92/31/719159231.db2.gz ZHGZTSMHPFTXPN-NXEZZACHSA-N 1 1 356.810 2.349 20 5 FEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001164807996 720087579 /nfs/dbraw/zinc/08/75/79/720087579.db2.gz GUMQKKPBRVQHLY-RDTXWAMCSA-N 1 1 364.421 2.314 20 5 FEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(C)c1[N+](=O)[O-])C2 ZINC001164813584 720088443 /nfs/dbraw/zinc/08/84/43/720088443.db2.gz TYCSHDPPJKJERR-VQIMIIECSA-N 1 1 360.458 2.483 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924735 721860294 /nfs/dbraw/zinc/86/02/94/721860294.db2.gz DDRKKRMSPYDMDC-IRXDYDNUSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924735 721860295 /nfs/dbraw/zinc/86/02/95/721860295.db2.gz DDRKKRMSPYDMDC-IRXDYDNUSA-N 1 1 355.442 2.358 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000020512066 539675715 /nfs/dbraw/zinc/67/57/15/539675715.db2.gz VZNAKROAYWDQEK-UHFFFAOYSA-N 1 1 355.394 2.318 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000023673030 539718365 /nfs/dbraw/zinc/71/83/65/539718365.db2.gz IWPPIBYLJIVPKC-OKILXGFUSA-N 1 1 367.471 2.302 20 5 FEBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000026198125 539780596 /nfs/dbraw/zinc/78/05/96/539780596.db2.gz FABFULOAQBMFGP-CHWSQXEVSA-N 1 1 351.403 2.431 20 5 FEBDMO O=c1[nH]cnc2cc(N3CC[NH+](Cc4cccs4)CC3)c([N+](=O)[O-])cc12 ZINC000029186133 539846090 /nfs/dbraw/zinc/84/60/90/539846090.db2.gz MXNBTKWGJUTNDH-UHFFFAOYSA-N 1 1 371.422 2.215 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032441196 539939542 /nfs/dbraw/zinc/93/95/42/539939542.db2.gz BQJYOAWZSXPVAQ-QWHCGFSZSA-N 1 1 371.459 2.145 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=S)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000800827875 674079662 /nfs/dbraw/zinc/07/96/62/674079662.db2.gz DRJRAPPALWKGEC-INIZCTEOSA-N 1 1 350.488 2.428 20 5 FEBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000044311154 540123535 /nfs/dbraw/zinc/12/35/35/540123535.db2.gz HKLODLCSGXMPMY-UHFFFAOYSA-N 1 1 353.444 2.421 20 5 FEBDMO O=[N+]([O-])c1ccc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000046479051 540259322 /nfs/dbraw/zinc/25/93/22/540259322.db2.gz NCJDBECCTSHYOO-MRXNPFEDSA-N 1 1 372.381 2.334 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000052247432 540460171 /nfs/dbraw/zinc/46/01/71/540460171.db2.gz USVNVFVAVDVQIL-ZDUSSCGKSA-N 1 1 370.475 2.309 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000053691479 540549982 /nfs/dbraw/zinc/54/99/82/540549982.db2.gz DZBBWROQKFWPLW-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000053691479 540549984 /nfs/dbraw/zinc/54/99/84/540549984.db2.gz DZBBWROQKFWPLW-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000060470609 541112786 /nfs/dbraw/zinc/11/27/86/541112786.db2.gz ZGHAHPYHRIGYGG-JQWIXIFHSA-N 1 1 353.806 2.368 20 5 FEBDMO CC(C)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1CCc2ccccc2C1 ZINC000065777097 541260910 /nfs/dbraw/zinc/26/09/10/541260910.db2.gz MMPQQXPRSANIPP-UHFFFAOYSA-N 1 1 371.441 2.135 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000066396313 541313324 /nfs/dbraw/zinc/31/33/24/541313324.db2.gz BWPFOYRWYIDWRI-LQYUOIDQSA-N 1 1 359.426 2.320 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])C1CC1 ZINC000066924047 541394728 /nfs/dbraw/zinc/39/47/28/541394728.db2.gz YWSSUCFKZUCGOF-UHFFFAOYSA-N 1 1 361.320 2.360 20 5 FEBDMO COc1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000068084483 541545816 /nfs/dbraw/zinc/54/58/16/541545816.db2.gz CXNFDUNTVYWELB-OLZOCXBDSA-N 1 1 365.430 2.462 20 5 FEBDMO C[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000069406647 541684305 /nfs/dbraw/zinc/68/43/05/541684305.db2.gz XPPMSOBUBMGULB-CABCVRRESA-N 1 1 364.446 2.393 20 5 FEBDMO Cc1sc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000069743857 541709482 /nfs/dbraw/zinc/70/94/82/541709482.db2.gz VKNNYMPFMAUQAG-ZDUSSCGKSA-N 1 1 353.444 2.149 20 5 FEBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069745998 541710446 /nfs/dbraw/zinc/71/04/46/541710446.db2.gz ORUXONWCFVEVSI-ZDUSSCGKSA-N 1 1 367.833 2.433 20 5 FEBDMO CNC(=O)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665161 541847207 /nfs/dbraw/zinc/84/72/07/541847207.db2.gz OYRPHRKGMAEZNN-OAHLLOKOSA-N 1 1 355.398 2.036 20 5 FEBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073513939 541960930 /nfs/dbraw/zinc/96/09/30/541960930.db2.gz ILZYVEBMZUSSDE-GOSISDBHSA-N 1 1 370.409 2.149 20 5 FEBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073513939 541960935 /nfs/dbraw/zinc/96/09/35/541960935.db2.gz ILZYVEBMZUSSDE-GOSISDBHSA-N 1 1 370.409 2.149 20 5 FEBDMO C[C@H]1SCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000075749169 542202267 /nfs/dbraw/zinc/20/22/67/542202267.db2.gz AIUQNMWDVLXJOP-COXVUDFISA-N 1 1 362.455 2.331 20 5 FEBDMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000075750889 542202591 /nfs/dbraw/zinc/20/25/91/542202591.db2.gz VUKUAHHSVFQTHP-LXZKKBNFSA-N 1 1 360.414 2.039 20 5 FEBDMO CN(C)c1cccc([C@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075839073 542207404 /nfs/dbraw/zinc/20/74/04/542207404.db2.gz QJFKVISUWFYELI-ZWKOTPCHSA-N 1 1 359.430 2.055 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000801546640 674134680 /nfs/dbraw/zinc/13/46/80/674134680.db2.gz NRVDOGAJZOHNKO-NEPJUHHUSA-N 1 1 372.263 2.244 20 5 FEBDMO Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000076329581 542260758 /nfs/dbraw/zinc/26/07/58/542260758.db2.gz XGHOROSHALVWRC-HNNXBMFYSA-N 1 1 350.419 2.262 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CC(N)=O)CC1 ZINC000077168499 542350269 /nfs/dbraw/zinc/35/02/69/542350269.db2.gz XGEINWRAVANJSB-NSHDSACASA-N 1 1 359.386 2.293 20 5 FEBDMO C[C@H]1C[NH+](Cc2cccc(Nc3ncc([N+](=O)[O-])c(N)n3)c2)C[C@H](C)O1 ZINC000077983190 542435811 /nfs/dbraw/zinc/43/58/11/542435811.db2.gz GIMPYCIUWHUKDV-RYUDHWBXSA-N 1 1 358.402 2.320 20 5 FEBDMO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000078022676 542436808 /nfs/dbraw/zinc/43/68/08/542436808.db2.gz JQPRYNQXOQFNEN-KRWDZBQOSA-N 1 1 371.441 2.336 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000078022676 542436809 /nfs/dbraw/zinc/43/68/09/542436809.db2.gz JQPRYNQXOQFNEN-KRWDZBQOSA-N 1 1 371.441 2.336 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000247419503 549331392 /nfs/dbraw/zinc/33/13/92/549331392.db2.gz KDDJIMQZJFBVFS-ZIAGYGMSSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000080374891 542586797 /nfs/dbraw/zinc/58/67/97/542586797.db2.gz YEBBPNGGWPXLMA-UHFFFAOYSA-N 1 1 354.370 2.106 20 5 FEBDMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCc1ccc([N+](=O)[O-])cc1 ZINC000080410962 542588286 /nfs/dbraw/zinc/58/82/86/542588286.db2.gz XIRRTZFXAPBQNU-UHFFFAOYSA-N 1 1 368.437 2.029 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCOCC1CC1 ZINC000088601397 542754719 /nfs/dbraw/zinc/75/47/19/542754719.db2.gz CMJGSYMHINBOHS-UHFFFAOYSA-N 1 1 351.403 2.290 20 5 FEBDMO Cc1cccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089961881 542778294 /nfs/dbraw/zinc/77/82/94/542778294.db2.gz SQXHZIGDUYJUNF-DLBZAZTESA-N 1 1 369.421 2.268 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332635 543065677 /nfs/dbraw/zinc/06/56/77/543065677.db2.gz LTZZWVDZKGQREB-CQSZACIVSA-N 1 1 351.451 2.155 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000102410354 543069343 /nfs/dbraw/zinc/06/93/43/543069343.db2.gz DULGROOUKHETRG-AWEZNQCLSA-N 1 1 373.413 2.466 20 5 FEBDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2C1 ZINC000102733365 543078790 /nfs/dbraw/zinc/07/87/90/543078790.db2.gz NHTDOHKLWHQIHT-UHFFFAOYSA-N 1 1 358.402 2.187 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104785717 543143531 /nfs/dbraw/zinc/14/35/31/543143531.db2.gz GYTXBYUIDPPRAG-UHFFFAOYSA-N 1 1 350.419 2.277 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCCN1c1cccnn1 ZINC000106086128 543193174 /nfs/dbraw/zinc/19/31/74/543193174.db2.gz JURANBVKTGJCKV-OAHLLOKOSA-N 1 1 357.414 2.364 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891932 543252815 /nfs/dbraw/zinc/25/28/15/543252815.db2.gz CUCHOAJESUUAKE-CYBMUJFWSA-N 1 1 353.444 2.198 20 5 FEBDMO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H](C)O ZINC000107041227 543259763 /nfs/dbraw/zinc/25/97/63/543259763.db2.gz LAWHDBMDKPQBCR-SNVBAGLBSA-N 1 1 374.235 2.387 20 5 FEBDMO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H](C)O ZINC000107041229 543259939 /nfs/dbraw/zinc/25/99/39/543259939.db2.gz LAWHDBMDKPQBCR-JTQLQIEISA-N 1 1 374.235 2.387 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000109793986 543339138 /nfs/dbraw/zinc/33/91/38/543339138.db2.gz ZWDVQAFBJKREED-CYBMUJFWSA-N 1 1 373.413 2.464 20 5 FEBDMO C[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000110356275 543356026 /nfs/dbraw/zinc/35/60/26/543356026.db2.gz CRPBTSYYZWSCDK-AWEZNQCLSA-N 1 1 359.430 2.163 20 5 FEBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000113248534 543479185 /nfs/dbraw/zinc/47/91/85/543479185.db2.gz NNPMWHKZCYEKEP-UKRRQHHQSA-N 1 1 369.425 2.232 20 5 FEBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000247477941 549339879 /nfs/dbraw/zinc/33/98/79/549339879.db2.gz JWACMHMLHUDELQ-ARFHVFGLSA-N 1 1 354.451 2.068 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000117336090 543629321 /nfs/dbraw/zinc/62/93/21/543629321.db2.gz VYRZPCMSBKHXQI-CYBMUJFWSA-N 1 1 371.397 2.496 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000122633924 543715450 /nfs/dbraw/zinc/71/54/50/543715450.db2.gz WFBXUKIFHZFDAO-GFCCVEGCSA-N 1 1 355.822 2.317 20 5 FEBDMO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000123869850 543788320 /nfs/dbraw/zinc/78/83/20/543788320.db2.gz XFBGRQMCAPRJSM-GFCCVEGCSA-N 1 1 356.220 2.458 20 5 FEBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCCCNC1=O ZINC000123869850 543788321 /nfs/dbraw/zinc/78/83/21/543788321.db2.gz XFBGRQMCAPRJSM-GFCCVEGCSA-N 1 1 356.220 2.458 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000124555489 543828927 /nfs/dbraw/zinc/82/89/27/543828927.db2.gz DIVCPKPYUCCILT-ZYHUDNBSSA-N 1 1 361.489 2.316 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@H](C)C1 ZINC000124555300 543828886 /nfs/dbraw/zinc/82/88/86/543828886.db2.gz DIVCPKPYUCCILT-PWSUYJOCSA-N 1 1 361.489 2.316 20 5 FEBDMO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000124703350 543837679 /nfs/dbraw/zinc/83/76/79/543837679.db2.gz ZNRFJFZCTLCFQF-TZMCWYRMSA-N 1 1 372.429 2.039 20 5 FEBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125456467 543882417 /nfs/dbraw/zinc/88/24/17/543882417.db2.gz GFKNPQFTOAMHAE-MRXNPFEDSA-N 1 1 371.441 2.313 20 5 FEBDMO Nc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000126828006 543958746 /nfs/dbraw/zinc/95/87/46/543958746.db2.gz BTPRUOJLRQYYHI-XHDPSFHLSA-N 1 1 362.405 2.405 20 5 FEBDMO O=C(NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000126878130 543961024 /nfs/dbraw/zinc/96/10/24/543961024.db2.gz WTCBRGZCEIIFII-KGLIPLIRSA-N 1 1 361.423 2.022 20 5 FEBDMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000126878130 543961026 /nfs/dbraw/zinc/96/10/26/543961026.db2.gz WTCBRGZCEIIFII-KGLIPLIRSA-N 1 1 361.423 2.022 20 5 FEBDMO CCC[N@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128623226 544063153 /nfs/dbraw/zinc/06/31/53/544063153.db2.gz LPOYNRWFCWDTIA-UHFFFAOYSA-N 1 1 352.410 2.480 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000129348578 544106656 /nfs/dbraw/zinc/10/66/56/544106656.db2.gz APDDBKLNFGVCGX-AWEZNQCLSA-N 1 1 369.393 2.190 20 5 FEBDMO O=C(CC[N@H+]1CCCN(CC(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000129613230 544120888 /nfs/dbraw/zinc/12/08/88/544120888.db2.gz SJNIGTUGOYUUKZ-UHFFFAOYSA-N 1 1 374.363 2.335 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000130476012 544152493 /nfs/dbraw/zinc/15/24/93/544152493.db2.gz DCCYEMWOPQTDII-GRYCIOLGSA-N 1 1 361.489 2.301 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134596301 544314067 /nfs/dbraw/zinc/31/40/67/544314067.db2.gz OIQCZCUNODIIOV-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000135546377 544352149 /nfs/dbraw/zinc/35/21/49/544352149.db2.gz MUTINTPVOPPCAI-OAHLLOKOSA-N 1 1 359.382 2.075 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150814507 544475477 /nfs/dbraw/zinc/47/54/77/544475477.db2.gz YJRXBLDUPYSJJE-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO C[C@@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000150876594 544481909 /nfs/dbraw/zinc/48/19/09/544481909.db2.gz DJZMFJKRPYZLMY-UKRRQHHQSA-N 1 1 356.430 2.456 20 5 FEBDMO C[NH+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000152449996 544654535 /nfs/dbraw/zinc/65/45/35/544654535.db2.gz SXAKXRPKZUDKTO-AWEZNQCLSA-N 1 1 362.430 2.166 20 5 FEBDMO CN1CCC[C@H](C[N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000152449996 544654538 /nfs/dbraw/zinc/65/45/38/544654538.db2.gz SXAKXRPKZUDKTO-AWEZNQCLSA-N 1 1 362.430 2.166 20 5 FEBDMO CN1CCC[C@H](C[N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000152449996 544654544 /nfs/dbraw/zinc/65/45/44/544654544.db2.gz SXAKXRPKZUDKTO-AWEZNQCLSA-N 1 1 362.430 2.166 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000152875624 544706202 /nfs/dbraw/zinc/70/62/02/544706202.db2.gz RPDLCFHFOMIBDF-HIFRSBDPSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000803493086 674245962 /nfs/dbraw/zinc/24/59/62/674245962.db2.gz JDWLBMFJZKXXQS-IUODEOHRSA-N 1 1 351.403 2.360 20 5 FEBDMO O=C(CC[NH+]1CCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000803637825 674252777 /nfs/dbraw/zinc/25/27/77/674252777.db2.gz SDYLLCCJHCLWBO-UHFFFAOYSA-N 1 1 358.192 2.018 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000188053061 328062645 /nfs/dbraw/zinc/06/26/45/328062645.db2.gz BYAQZUVORBGGBW-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccco1 ZINC000188453563 328087789 /nfs/dbraw/zinc/08/77/89/328087789.db2.gz SNDMSZMSLZNDLH-MRXNPFEDSA-N 1 1 374.397 2.263 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000190031776 328183824 /nfs/dbraw/zinc/18/38/24/328183824.db2.gz ORMFCTZDUXILEP-ZDUSSCGKSA-N 1 1 350.419 2.212 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000191094071 328249695 /nfs/dbraw/zinc/24/96/95/328249695.db2.gz NNRDWCLAIZKXML-UHFFFAOYSA-N 1 1 359.835 2.025 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000193583948 328383451 /nfs/dbraw/zinc/38/34/51/328383451.db2.gz RUNOUHQGJRQCPV-AWEZNQCLSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000193583948 328383453 /nfs/dbraw/zinc/38/34/53/328383453.db2.gz RUNOUHQGJRQCPV-AWEZNQCLSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193705330 328390472 /nfs/dbraw/zinc/39/04/72/328390472.db2.gz UHQKIXZPBOULLQ-AWEZNQCLSA-N 1 1 362.386 2.241 20 5 FEBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193705330 328390474 /nfs/dbraw/zinc/39/04/74/328390474.db2.gz UHQKIXZPBOULLQ-AWEZNQCLSA-N 1 1 362.386 2.241 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000008896354 324363551 /nfs/dbraw/zinc/36/35/51/324363551.db2.gz VCYUYIRWRKBJHD-CQSZACIVSA-N 1 1 355.441 2.238 20 5 FEBDMO C[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000081598817 325187209 /nfs/dbraw/zinc/18/72/09/325187209.db2.gz UBCJNIZAXKFXQY-KRWDZBQOSA-N 1 1 363.458 2.285 20 5 FEBDMO CN1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000081598817 325187213 /nfs/dbraw/zinc/18/72/13/325187213.db2.gz UBCJNIZAXKFXQY-KRWDZBQOSA-N 1 1 363.458 2.285 20 5 FEBDMO CN1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000081598817 325187216 /nfs/dbraw/zinc/18/72/16/325187216.db2.gz UBCJNIZAXKFXQY-KRWDZBQOSA-N 1 1 363.458 2.285 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087322101 325279154 /nfs/dbraw/zinc/27/91/54/325279154.db2.gz BEVLSDHUBOTDSY-LJQANCHMSA-N 1 1 374.485 2.156 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000090465509 325360252 /nfs/dbraw/zinc/36/02/52/325360252.db2.gz JTUXNCJVYWHDLY-OLZOCXBDSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000090465509 325360254 /nfs/dbraw/zinc/36/02/54/325360254.db2.gz JTUXNCJVYWHDLY-OLZOCXBDSA-N 1 1 353.806 2.231 20 5 FEBDMO Cn1cc(C[N@@H+]2CCOC3(CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091894631 325397531 /nfs/dbraw/zinc/39/75/31/325397531.db2.gz VWSKTWHASSTWBC-UHFFFAOYSA-N 1 1 372.425 2.377 20 5 FEBDMO Cn1cc(C[N@H+]2CCOC3(CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091894631 325397533 /nfs/dbraw/zinc/39/75/33/325397533.db2.gz VWSKTWHASSTWBC-UHFFFAOYSA-N 1 1 372.425 2.377 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119032041 326120002 /nfs/dbraw/zinc/12/00/02/326120002.db2.gz DHBBFMCFCDHBNR-OAHLLOKOSA-N 1 1 372.429 2.236 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000119594496 326178852 /nfs/dbraw/zinc/17/88/52/326178852.db2.gz UAQKPMXLEGGJLA-HNNXBMFYSA-N 1 1 371.441 2.488 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000119966566 326216786 /nfs/dbraw/zinc/21/67/86/326216786.db2.gz PHVUELXCPPMQHI-JLZZUVOBSA-N 1 1 363.414 2.287 20 5 FEBDMO Cn1cc(Cl)cc1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000120209240 326240994 /nfs/dbraw/zinc/24/09/94/326240994.db2.gz RDZDUUKRJLWSEF-HNNXBMFYSA-N 1 1 353.806 2.458 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000122034465 326381386 /nfs/dbraw/zinc/38/13/86/326381386.db2.gz TTWYXJLFWHNCHQ-UHFFFAOYSA-N 1 1 361.377 2.145 20 5 FEBDMO CS(=O)(=O)c1ccc(N2CCC[C@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160431861 326965451 /nfs/dbraw/zinc/96/54/51/326965451.db2.gz BXFNYOXTTFZJQU-AWEZNQCLSA-N 1 1 367.471 2.453 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCC[N@H+](C2CC2)CC1 ZINC000172348168 327197176 /nfs/dbraw/zinc/19/71/76/327197176.db2.gz KCHHMPCDVGGLHT-CYBMUJFWSA-N 1 1 362.430 2.101 20 5 FEBDMO O=C(CN1CCC[N@H+](C2CCCC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000172584529 327209853 /nfs/dbraw/zinc/20/98/53/327209853.db2.gz HVZMUZTWDQZASN-UHFFFAOYSA-N 1 1 372.469 2.434 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173263985 327245118 /nfs/dbraw/zinc/24/51/18/327245118.db2.gz COMNPTHEIYKAHK-HIFRSBDPSA-N 1 1 355.460 2.254 20 5 FEBDMO COc1ccc(C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C2CC2)cc1 ZINC000173561467 327266600 /nfs/dbraw/zinc/26/66/00/327266600.db2.gz FRALGKSEIYXKNM-KDOFPFPSSA-N 1 1 374.441 2.462 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954879 327297534 /nfs/dbraw/zinc/29/75/34/327297534.db2.gz IQZKYYRBIFJPME-WBVHZDCISA-N 1 1 351.447 2.141 20 5 FEBDMO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nnnn1-c1ccccc1 ZINC000174074079 327304763 /nfs/dbraw/zinc/30/47/63/327304763.db2.gz YMRIFYJEVIUKRM-CYBMUJFWSA-N 1 1 354.370 2.300 20 5 FEBDMO NC(=O)C[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000175221322 327380915 /nfs/dbraw/zinc/38/09/15/327380915.db2.gz MSAZDBCRRDCLBS-CYBMUJFWSA-N 1 1 358.398 2.380 20 5 FEBDMO NC(=O)C[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000175221347 327380983 /nfs/dbraw/zinc/38/09/83/327380983.db2.gz MSAZDBCRRDCLBS-ZDUSSCGKSA-N 1 1 358.398 2.380 20 5 FEBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000176287097 327445960 /nfs/dbraw/zinc/44/59/60/327445960.db2.gz BHMMFSVDWDDAOG-UKRRQHHQSA-N 1 1 364.446 2.232 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000176725808 327472129 /nfs/dbraw/zinc/47/21/29/327472129.db2.gz UQMVXCKGUVGIEC-HNNXBMFYSA-N 1 1 364.446 2.328 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000264360843 329014251 /nfs/dbraw/zinc/01/42/51/329014251.db2.gz AVFWJEKQNFTONE-OAHLLOKOSA-N 1 1 363.418 2.109 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264633002 329043022 /nfs/dbraw/zinc/04/30/22/329043022.db2.gz MIZZAMPJOLUART-AWEZNQCLSA-N 1 1 358.442 2.409 20 5 FEBDMO C[C@H](c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1)[NH+]1CCOCC1 ZINC000264731798 329054451 /nfs/dbraw/zinc/05/44/51/329054451.db2.gz ZORTYTCNYMIRKG-CQSZACIVSA-N 1 1 373.413 2.213 20 5 FEBDMO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000264945443 329077211 /nfs/dbraw/zinc/07/72/11/329077211.db2.gz JKMMGYHLINOZTM-KBPBESRZSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc(NC(=O)CCN2C[C@H]3CCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000264945447 329077262 /nfs/dbraw/zinc/07/72/62/329077262.db2.gz JKMMGYHLINOZTM-UONOGXRCSA-N 1 1 362.430 2.101 20 5 FEBDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000265100326 329090873 /nfs/dbraw/zinc/09/08/73/329090873.db2.gz DQZISKDJCZMMDB-GFCCVEGCSA-N 1 1 354.370 2.409 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265294712 329111565 /nfs/dbraw/zinc/11/15/65/329111565.db2.gz NGEPJGIIRBAJKD-JKSUJKDBSA-N 1 1 356.382 2.205 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000266037764 329184080 /nfs/dbraw/zinc/18/40/80/329184080.db2.gz VBOUECPFJCPWCL-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000266037764 329184082 /nfs/dbraw/zinc/18/40/82/329184082.db2.gz VBOUECPFJCPWCL-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)C1 ZINC000266634477 329244090 /nfs/dbraw/zinc/24/40/90/329244090.db2.gz JCEXYMXPEVBLRL-AWEZNQCLSA-N 1 1 373.413 2.151 20 5 FEBDMO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266908670 329271534 /nfs/dbraw/zinc/27/15/34/329271534.db2.gz CIYFXONDAXRWTO-OAHLLOKOSA-N 1 1 360.838 2.483 20 5 FEBDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266908670 329271535 /nfs/dbraw/zinc/27/15/35/329271535.db2.gz CIYFXONDAXRWTO-OAHLLOKOSA-N 1 1 360.838 2.483 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267479894 329331673 /nfs/dbraw/zinc/33/16/73/329331673.db2.gz UYFCITZMXVVAKW-XJKSGUPXSA-N 1 1 371.441 2.277 20 5 FEBDMO COC(=O)[C@]1(F)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000267729274 329353109 /nfs/dbraw/zinc/35/31/09/329353109.db2.gz BEWDQMRPNCIJKY-KRWDZBQOSA-N 1 1 363.345 2.379 20 5 FEBDMO COC(=O)[C@]1(F)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000267729274 329353110 /nfs/dbraw/zinc/35/31/10/329353110.db2.gz BEWDQMRPNCIJKY-KRWDZBQOSA-N 1 1 363.345 2.379 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178569 329393875 /nfs/dbraw/zinc/39/38/75/329393875.db2.gz KYGINXLRIXOSDC-CJNGLKHVSA-N 1 1 358.442 2.408 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269587689 329532458 /nfs/dbraw/zinc/53/24/58/329532458.db2.gz IUEUDMLMISBXJM-UHFFFAOYSA-N 1 1 360.370 2.033 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2C[NH+]2CCSCC2)n1 ZINC000270960629 329649091 /nfs/dbraw/zinc/64/90/91/329649091.db2.gz GOILLVSNUJNSMY-UHFFFAOYSA-N 1 1 361.427 2.129 20 5 FEBDMO CC(C)[C@@H](CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000271654557 329712196 /nfs/dbraw/zinc/71/21/96/329712196.db2.gz VYXJRNFYCYYQDF-RHSMWYFYSA-N 1 1 364.446 2.312 20 5 FEBDMO COCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000273317427 329855207 /nfs/dbraw/zinc/85/52/07/329855207.db2.gz VUXKYGJZFRNURP-OAHLLOKOSA-N 1 1 368.411 2.329 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273369461 329859150 /nfs/dbraw/zinc/85/91/50/329859150.db2.gz GQAFAQIAMHGMDA-UHFFFAOYSA-N 1 1 354.382 2.308 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1CC(C)(C)O ZINC000275442500 330049072 /nfs/dbraw/zinc/04/90/72/330049072.db2.gz BVCAXQPCGIQNIN-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO COCCCOCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275603650 330069009 /nfs/dbraw/zinc/06/90/09/330069009.db2.gz LHKYSHQNIBRQQL-UHFFFAOYSA-N 1 1 357.382 2.047 20 5 FEBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1 ZINC000367036407 330209888 /nfs/dbraw/zinc/20/98/88/330209888.db2.gz GURYUPBGNSHHCO-DZGCQCFKSA-N 1 1 371.397 2.135 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000367137208 330221616 /nfs/dbraw/zinc/22/16/16/330221616.db2.gz BTYYKPKPNKWHCY-UHFFFAOYSA-N 1 1 374.416 2.104 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCN(Cc2ccccc2F)CC1 ZINC000367137208 330221618 /nfs/dbraw/zinc/22/16/18/330221618.db2.gz BTYYKPKPNKWHCY-UHFFFAOYSA-N 1 1 374.416 2.104 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCN(Cc2ccccc2F)CC1 ZINC000367137208 330221620 /nfs/dbraw/zinc/22/16/20/330221620.db2.gz BTYYKPKPNKWHCY-UHFFFAOYSA-N 1 1 374.416 2.104 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000156000133 545590884 /nfs/dbraw/zinc/59/08/84/545590884.db2.gz RLNDTVULDCYLCF-DYVFJYSZSA-N 1 1 372.425 2.009 20 5 FEBDMO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000156136559 545602124 /nfs/dbraw/zinc/60/21/24/545602124.db2.gz DKVRURNBZLFZFU-HNNXBMFYSA-N 1 1 372.446 2.070 20 5 FEBDMO CNS(=O)(=O)[C@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000156136559 545602128 /nfs/dbraw/zinc/60/21/28/545602128.db2.gz DKVRURNBZLFZFU-HNNXBMFYSA-N 1 1 372.446 2.070 20 5 FEBDMO Cc1ccc(NCCCNC(=O)C[N@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000156274000 545613778 /nfs/dbraw/zinc/61/37/78/545613778.db2.gz KQHMSGDCYOJILM-CQSZACIVSA-N 1 1 366.487 2.259 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1nncn1C ZINC000156656977 545643205 /nfs/dbraw/zinc/64/32/05/545643205.db2.gz HADXOLZJOPEZDL-HNNXBMFYSA-N 1 1 358.402 2.197 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1nncn1C ZINC000156656977 545643210 /nfs/dbraw/zinc/64/32/10/545643210.db2.gz HADXOLZJOPEZDL-HNNXBMFYSA-N 1 1 358.402 2.197 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000158643484 545881051 /nfs/dbraw/zinc/88/10/51/545881051.db2.gz KHEMTBSZOWNPQX-UHFFFAOYSA-N 1 1 356.382 2.026 20 5 FEBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000159076240 545919711 /nfs/dbraw/zinc/91/97/11/545919711.db2.gz CMQLUCPHEDBDNL-SNVBAGLBSA-N 1 1 354.204 2.278 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000159768879 545979492 /nfs/dbraw/zinc/97/94/92/545979492.db2.gz JZNVRROHIJVTQU-UHFFFAOYSA-N 1 1 362.474 2.345 20 5 FEBDMO C[C@H](NC(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175693815 546335247 /nfs/dbraw/zinc/33/52/47/546335247.db2.gz OBFHZZVQHCSWPT-JKIFEVAISA-N 1 1 362.430 2.018 20 5 FEBDMO CCOC(=O)c1c[nH+]ccc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000480087476 561202817 /nfs/dbraw/zinc/20/28/17/561202817.db2.gz OYRBXMOEPOGURN-GFCCVEGCSA-N 1 1 357.370 2.252 20 5 FEBDMO O=C(NC1CC1)c1ccc(C[N@H+](CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000176203462 546419204 /nfs/dbraw/zinc/41/92/04/546419204.db2.gz XLZNFSFQPNCDMA-UHFFFAOYSA-N 1 1 369.425 2.348 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000176724707 546480982 /nfs/dbraw/zinc/48/09/82/546480982.db2.gz RYTUYUMTQLDJTR-CZUORRHYSA-N 1 1 371.441 2.420 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177032003 546527550 /nfs/dbraw/zinc/52/75/50/546527550.db2.gz OYHZJRNWPGENOF-RISCZKNCSA-N 1 1 361.398 2.127 20 5 FEBDMO CCOc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161220 546558082 /nfs/dbraw/zinc/55/80/82/546558082.db2.gz WEECYGFNDQZOPH-VXGBXAGGSA-N 1 1 363.414 2.357 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480989258 561222298 /nfs/dbraw/zinc/22/22/98/561222298.db2.gz XZQURMSXDXAYND-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000481155811 561226596 /nfs/dbraw/zinc/22/65/96/561226596.db2.gz PUZZWCWTVBKARY-GFCCVEGCSA-N 1 1 373.413 2.381 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000179425703 546951387 /nfs/dbraw/zinc/95/13/87/546951387.db2.gz OKEZTOVZKHTHAC-ZBFHGGJFSA-N 1 1 363.805 2.006 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccc(Cl)cc1 ZINC000179425703 546951391 /nfs/dbraw/zinc/95/13/91/546951391.db2.gz OKEZTOVZKHTHAC-ZBFHGGJFSA-N 1 1 363.805 2.006 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000481960669 561246284 /nfs/dbraw/zinc/24/62/84/561246284.db2.gz DBQGDPCAVATMLR-HNNXBMFYSA-N 1 1 356.430 2.316 20 5 FEBDMO O=C([C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000179891266 547024943 /nfs/dbraw/zinc/02/49/43/547024943.db2.gz XXJNNFASJFUPRX-ZNNBYXKUSA-N 1 1 359.426 2.179 20 5 FEBDMO Cc1nn(CCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000180177933 547064632 /nfs/dbraw/zinc/06/46/32/547064632.db2.gz WYIMCYLKOWKCMV-QFBILLFUSA-N 1 1 371.441 2.360 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000181094579 547248622 /nfs/dbraw/zinc/24/86/22/547248622.db2.gz SXQTXQKHMNTEEW-CYBMUJFWSA-N 1 1 361.402 2.149 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)Cc1ccc(C)cc1 ZINC000181970851 547415619 /nfs/dbraw/zinc/41/56/19/547415619.db2.gz ZCRBUNXFJMYJEM-UHFFFAOYSA-N 1 1 373.409 2.345 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)Cc1ccc(C)cc1 ZINC000181970851 547415622 /nfs/dbraw/zinc/41/56/22/547415622.db2.gz ZCRBUNXFJMYJEM-UHFFFAOYSA-N 1 1 373.409 2.345 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000182924144 547573137 /nfs/dbraw/zinc/57/31/37/547573137.db2.gz KDDRQRDENBFCQD-MOPGFXCFSA-N 1 1 367.405 2.011 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000183272692 547630651 /nfs/dbraw/zinc/63/06/51/547630651.db2.gz JCEPVLNZGRCNCS-HNNXBMFYSA-N 1 1 355.460 2.197 20 5 FEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000183341705 547641403 /nfs/dbraw/zinc/64/14/03/547641403.db2.gz DPWOJJHAJRLUGF-OJSRQPNCSA-N 1 1 361.442 2.351 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000484768814 561305636 /nfs/dbraw/zinc/30/56/36/561305636.db2.gz ZHQIFERQEVGBSX-KRWDZBQOSA-N 1 1 354.403 2.176 20 5 FEBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000184375043 547815802 /nfs/dbraw/zinc/81/58/02/547815802.db2.gz NOAMMINYXZOWEK-INIZCTEOSA-N 1 1 368.437 2.471 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000184759385 547876195 /nfs/dbraw/zinc/87/61/95/547876195.db2.gz OBYWVITUQOWQSG-FUHWJXTLSA-N 1 1 363.458 2.391 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000185227732 547954995 /nfs/dbraw/zinc/95/49/95/547954995.db2.gz PDWYXOYUEFJHDI-IUODEOHRSA-N 1 1 371.434 2.147 20 5 FEBDMO C[C@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000185820272 548039990 /nfs/dbraw/zinc/03/99/90/548039990.db2.gz GOVYYUDWWPFWNI-GFCCVEGCSA-N 1 1 370.837 2.016 20 5 FEBDMO COc1ccc(C[NH2+]C(C)(C)CCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000185896296 548054438 /nfs/dbraw/zinc/05/44/38/548054438.db2.gz XSMFYTOPRPLGKA-UHFFFAOYSA-N 1 1 350.463 2.109 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186810358 548198361 /nfs/dbraw/zinc/19/83/61/548198361.db2.gz WAQPRASWLACQEG-UHFFFAOYSA-N 1 1 365.455 2.440 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186810358 548198365 /nfs/dbraw/zinc/19/83/65/548198365.db2.gz WAQPRASWLACQEG-UHFFFAOYSA-N 1 1 365.455 2.440 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000194767620 548529667 /nfs/dbraw/zinc/52/96/67/548529667.db2.gz HVOHTYWVGWUGKU-MRXNPFEDSA-N 1 1 360.458 2.145 20 5 FEBDMO COc1cc(CN(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000195317231 548620574 /nfs/dbraw/zinc/62/05/74/548620574.db2.gz RMFSLSDYRKSGFZ-BETUJISGSA-N 1 1 355.410 2.284 20 5 FEBDMO COc1cc(CN(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000195317231 548620579 /nfs/dbraw/zinc/62/05/79/548620579.db2.gz RMFSLSDYRKSGFZ-BETUJISGSA-N 1 1 355.410 2.284 20 5 FEBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)CC2CCCCC2)c1[N+](=O)[O-] ZINC000195447181 548640939 /nfs/dbraw/zinc/64/09/39/548640939.db2.gz NCSQERAPGAFFHW-UHFFFAOYSA-N 1 1 351.451 2.464 20 5 FEBDMO COC(=O)c1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000237062863 548797850 /nfs/dbraw/zinc/79/78/50/548797850.db2.gz NSQZGQXGXDGYKL-LBPRGKRZSA-N 1 1 360.370 2.364 20 5 FEBDMO COC(=O)c1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)oc1C ZINC000237062863 548797853 /nfs/dbraw/zinc/79/78/53/548797853.db2.gz NSQZGQXGXDGYKL-LBPRGKRZSA-N 1 1 360.370 2.364 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000487671875 561373659 /nfs/dbraw/zinc/37/36/59/561373659.db2.gz ILTLNYSURGDGJS-UHFFFAOYSA-N 1 1 363.443 2.436 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000245420462 548913033 /nfs/dbraw/zinc/91/30/33/548913033.db2.gz BMEVGFSINJHDEQ-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245840397 549001740 /nfs/dbraw/zinc/00/17/40/549001740.db2.gz CIEGBDOEMZYYAN-ILXRZTDVSA-N 1 1 364.446 2.061 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000245964143 549029723 /nfs/dbraw/zinc/02/97/23/549029723.db2.gz VIXNWFLHJGSNEH-HALDLXJZSA-N 1 1 371.441 2.215 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000245992273 549032834 /nfs/dbraw/zinc/03/28/34/549032834.db2.gz QWPIXGVQNSCUTR-XJKSGUPXSA-N 1 1 362.430 2.229 20 5 FEBDMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246115561 549055337 /nfs/dbraw/zinc/05/53/37/549055337.db2.gz GCSWHNVOHXWZPY-RBSFLKMASA-N 1 1 361.446 2.266 20 5 FEBDMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246115561 549055341 /nfs/dbraw/zinc/05/53/41/549055341.db2.gz GCSWHNVOHXWZPY-RBSFLKMASA-N 1 1 361.446 2.266 20 5 FEBDMO CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246160860 549066408 /nfs/dbraw/zinc/06/64/08/549066408.db2.gz NVKGGEVEGDOSGN-CABCVRRESA-N 1 1 361.446 2.267 20 5 FEBDMO CC[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246160860 549066412 /nfs/dbraw/zinc/06/64/12/549066412.db2.gz NVKGGEVEGDOSGN-CABCVRRESA-N 1 1 361.446 2.267 20 5 FEBDMO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488641708 561393658 /nfs/dbraw/zinc/39/36/58/561393658.db2.gz FFMAWPVVFAAOKJ-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488641708 561393659 /nfs/dbraw/zinc/39/36/59/561393659.db2.gz FFMAWPVVFAAOKJ-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488729053 561395589 /nfs/dbraw/zinc/39/55/89/561395589.db2.gz CREUZOGNRHHNGU-DVOMOZLQSA-N 1 1 367.471 2.165 20 5 FEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488729053 561395590 /nfs/dbraw/zinc/39/55/90/561395590.db2.gz CREUZOGNRHHNGU-DVOMOZLQSA-N 1 1 367.471 2.165 20 5 FEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762134 561396318 /nfs/dbraw/zinc/39/63/18/561396318.db2.gz CKXLHXROVAJKHN-MQIPJXDCSA-N 1 1 357.414 2.410 20 5 FEBDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246718346 549195000 /nfs/dbraw/zinc/19/50/00/549195000.db2.gz LMEVEQFVHJRTFR-WCQYABFASA-N 1 1 361.427 2.455 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000246719444 549195568 /nfs/dbraw/zinc/19/55/68/549195568.db2.gz KGVADHMQVPDBQZ-LSDHHAIUSA-N 1 1 374.441 2.175 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246915540 549242230 /nfs/dbraw/zinc/24/22/30/549242230.db2.gz RSSSIKWNZHJXIY-HWWQOWPSSA-N 1 1 351.403 2.023 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246955115 549250094 /nfs/dbraw/zinc/25/00/94/549250094.db2.gz IHHBWEXPUPPJOC-ZFWWWQNUSA-N 1 1 353.444 2.008 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247020212 549266881 /nfs/dbraw/zinc/26/68/81/549266881.db2.gz ZJXVNPXCRRYJQK-GDZNZVCISA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000247020212 549266884 /nfs/dbraw/zinc/26/68/84/549266884.db2.gz ZJXVNPXCRRYJQK-GDZNZVCISA-N 1 1 363.414 2.431 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330628 549320307 /nfs/dbraw/zinc/32/03/07/549320307.db2.gz YNYISEFPSMYXRS-WMLDXEAASA-N 1 1 360.458 2.146 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000247343310 549322391 /nfs/dbraw/zinc/32/23/91/549322391.db2.gz GFFCAUZNHIVTLR-GDBMZVCRSA-N 1 1 362.455 2.266 20 5 FEBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000248292272 549418915 /nfs/dbraw/zinc/41/89/15/549418915.db2.gz WVVFGPBTSMKMKC-TZMCWYRMSA-N 1 1 365.459 2.181 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249118819 549556322 /nfs/dbraw/zinc/55/63/22/549556322.db2.gz TUEUQJJDINNTGO-HLLBOEOZSA-N 1 1 363.458 2.077 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249118819 549556326 /nfs/dbraw/zinc/55/63/26/549556326.db2.gz TUEUQJJDINNTGO-HLLBOEOZSA-N 1 1 363.458 2.077 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249128500 549557257 /nfs/dbraw/zinc/55/72/57/549557257.db2.gz CSDYSGUWPSCBDQ-JSGCOSHPSA-N 1 1 362.430 2.091 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000249431394 549591833 /nfs/dbraw/zinc/59/18/33/549591833.db2.gz ITIWKHBXDDKQGP-ZIAGYGMSSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000489943239 561422900 /nfs/dbraw/zinc/42/29/00/561422900.db2.gz ZUACMPSRLVFUIZ-CQSZACIVSA-N 1 1 350.382 2.406 20 5 FEBDMO CSc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000261650397 549739214 /nfs/dbraw/zinc/73/92/14/549739214.db2.gz GHZIICHIEWXFQT-HNNXBMFYSA-N 1 1 358.423 2.498 20 5 FEBDMO CC[N@@H+](CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000263665286 549916075 /nfs/dbraw/zinc/91/60/75/549916075.db2.gz BRAUBRRKGALRAY-UHFFFAOYSA-N 1 1 360.458 2.412 20 5 FEBDMO CCC[N@H+](CCO)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000268521971 550080749 /nfs/dbraw/zinc/08/07/49/550080749.db2.gz GLVDWJWLKUCGON-UHFFFAOYSA-N 1 1 364.427 2.361 20 5 FEBDMO CCC[N@@H+](CCO)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000268521971 550080752 /nfs/dbraw/zinc/08/07/52/550080752.db2.gz GLVDWJWLKUCGON-UHFFFAOYSA-N 1 1 364.427 2.361 20 5 FEBDMO CC(C)[NH+]1CCN(C2CCN(c3ccc([N+](=O)[O-])c4nonc43)CC2)CC1 ZINC000270512452 550279024 /nfs/dbraw/zinc/27/90/24/550279024.db2.gz XINUUCNOZUXFAV-UHFFFAOYSA-N 1 1 374.445 2.126 20 5 FEBDMO COCCCOCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000271613537 550389585 /nfs/dbraw/zinc/38/95/85/550389585.db2.gz VRMZGGWXURQRLX-UHFFFAOYSA-N 1 1 353.419 2.217 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328722 550438161 /nfs/dbraw/zinc/43/81/61/550438161.db2.gz LAHOKGBJXDGEJT-MFKMUULPSA-N 1 1 361.427 2.156 20 5 FEBDMO C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000273378649 550496431 /nfs/dbraw/zinc/49/64/31/550496431.db2.gz ANNYBBCRCALNQY-AWEZNQCLSA-N 1 1 364.446 2.144 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000277445487 550671612 /nfs/dbraw/zinc/67/16/12/550671612.db2.gz HBKHWRLFMNNOSN-CYBMUJFWSA-N 1 1 360.414 2.307 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279187474 550863103 /nfs/dbraw/zinc/86/31/03/550863103.db2.gz KXJUBSXGAIYNFG-OLZOCXBDSA-N 1 1 364.421 2.499 20 5 FEBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000279388385 550884732 /nfs/dbraw/zinc/88/47/32/550884732.db2.gz KAIJFBAPNLFVMV-OAHLLOKOSA-N 1 1 373.457 2.148 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280102459 550960973 /nfs/dbraw/zinc/96/09/73/550960973.db2.gz PDKPTVMBZYYXKB-SJCJKPOMSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(O)CC1 ZINC000280102459 550960975 /nfs/dbraw/zinc/96/09/75/550960975.db2.gz PDKPTVMBZYYXKB-SJCJKPOMSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000280497789 551000581 /nfs/dbraw/zinc/00/05/81/551000581.db2.gz MSGFDXLVJZLVOQ-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000280497789 551000583 /nfs/dbraw/zinc/00/05/83/551000583.db2.gz MSGFDXLVJZLVOQ-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280566598 551008325 /nfs/dbraw/zinc/00/83/25/551008325.db2.gz RQBIRKIVNGGRHO-KBXCAEBGSA-N 1 1 363.414 2.112 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281439005 551097616 /nfs/dbraw/zinc/09/76/16/551097616.db2.gz SYXMQMDOGCZCNA-SUHUHFCYSA-N 1 1 373.369 2.136 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281439005 551097618 /nfs/dbraw/zinc/09/76/18/551097618.db2.gz SYXMQMDOGCZCNA-SUHUHFCYSA-N 1 1 373.369 2.136 20 5 FEBDMO C[N@H+]1CCN(CCNc2ncc(Br)cc2[N+](=O)[O-])CC1(C)C ZINC000281586463 551116892 /nfs/dbraw/zinc/11/68/92/551116892.db2.gz GMTCYUIUANYVPT-UHFFFAOYSA-N 1 1 372.267 2.190 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000284100084 551483535 /nfs/dbraw/zinc/48/35/35/551483535.db2.gz SFYOCKVSJMMPHN-JTQLQIEISA-N 1 1 356.220 2.347 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284152751 551493385 /nfs/dbraw/zinc/49/33/85/551493385.db2.gz VYQLIXNWQSZHOJ-GFCCVEGCSA-N 1 1 369.853 2.396 20 5 FEBDMO C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000284674776 551605063 /nfs/dbraw/zinc/60/50/63/551605063.db2.gz GNUMXMDWKHYDKM-KRWDZBQOSA-N 1 1 368.437 2.392 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000498555136 561528327 /nfs/dbraw/zinc/52/83/27/561528327.db2.gz OSKFNUBORPVNSX-ZIAGYGMSSA-N 1 1 357.414 2.335 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498922232 561537935 /nfs/dbraw/zinc/53/79/35/561537935.db2.gz BFMNSIFFGZZSSZ-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498922232 561537936 /nfs/dbraw/zinc/53/79/36/561537936.db2.gz BFMNSIFFGZZSSZ-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498922232 561537937 /nfs/dbraw/zinc/53/79/37/561537937.db2.gz BFMNSIFFGZZSSZ-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723524 552200763 /nfs/dbraw/zinc/20/07/63/552200763.db2.gz GALNQQRANQOJQV-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723524 552200765 /nfs/dbraw/zinc/20/07/65/552200765.db2.gz GALNQQRANQOJQV-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000288921082 552236803 /nfs/dbraw/zinc/23/68/03/552236803.db2.gz VTFKVICBOUPXGU-ZDUSSCGKSA-N 1 1 350.419 2.078 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC(F)(F)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291777469 552660732 /nfs/dbraw/zinc/66/07/32/552660732.db2.gz MBIXJPBINLQQSI-GFCCVEGCSA-N 1 1 357.357 2.181 20 5 FEBDMO O=C(C[N@@H+]1CCOC[C@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000292173207 552701235 /nfs/dbraw/zinc/70/12/35/552701235.db2.gz PUACEMSCWOLUOS-MRXNPFEDSA-N 1 1 359.426 2.232 20 5 FEBDMO O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000292173207 552701237 /nfs/dbraw/zinc/70/12/37/552701237.db2.gz PUACEMSCWOLUOS-MRXNPFEDSA-N 1 1 359.426 2.232 20 5 FEBDMO C[C@H]1C[C@H](CCNC(=O)c2c([N+](=O)[O-])cnn2C)C[N@H+]1Cc1ccccc1 ZINC000501477706 561598274 /nfs/dbraw/zinc/59/82/74/561598274.db2.gz UDEHGCRXQBJVQF-HOCLYGCPSA-N 1 1 371.441 2.359 20 5 FEBDMO O=C1NCCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1Cc1ccccc1 ZINC000292855393 552765141 /nfs/dbraw/zinc/76/51/41/552765141.db2.gz CCBYJWMOEWNXBF-MOPGFXCFSA-N 1 1 369.421 2.061 20 5 FEBDMO O=C1NCCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1Cc1ccccc1 ZINC000292855393 552765142 /nfs/dbraw/zinc/76/51/42/552765142.db2.gz CCBYJWMOEWNXBF-MOPGFXCFSA-N 1 1 369.421 2.061 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000292967761 552775682 /nfs/dbraw/zinc/77/56/82/552775682.db2.gz GEVFNVLFTNHKPJ-GOSISDBHSA-N 1 1 365.430 2.272 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000292967761 552775684 /nfs/dbraw/zinc/77/56/84/552775684.db2.gz GEVFNVLFTNHKPJ-GOSISDBHSA-N 1 1 365.430 2.272 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293250444 552803559 /nfs/dbraw/zinc/80/35/59/552803559.db2.gz TWOFHINWDTUBIY-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293250444 552803560 /nfs/dbraw/zinc/80/35/60/552803560.db2.gz TWOFHINWDTUBIY-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000293668280 552845383 /nfs/dbraw/zinc/84/53/83/552845383.db2.gz KCGYGENWZOJKHY-LBPRGKRZSA-N 1 1 362.386 2.449 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](CCCO)C2)c(Br)c1 ZINC000294977574 552948621 /nfs/dbraw/zinc/94/86/21/552948621.db2.gz OTHDOFBZTXYTPE-JTQLQIEISA-N 1 1 359.224 2.011 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000294977574 552948623 /nfs/dbraw/zinc/94/86/23/552948623.db2.gz OTHDOFBZTXYTPE-JTQLQIEISA-N 1 1 359.224 2.011 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295279044 552980813 /nfs/dbraw/zinc/98/08/13/552980813.db2.gz FOTPLRBXANCLMB-ZDUSSCGKSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295279044 552980815 /nfs/dbraw/zinc/98/08/15/552980815.db2.gz FOTPLRBXANCLMB-ZDUSSCGKSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000295420111 553003973 /nfs/dbraw/zinc/00/39/73/553003973.db2.gz YDIGEAIEZAAKBG-LBPRGKRZSA-N 1 1 369.849 2.474 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000295420111 553003974 /nfs/dbraw/zinc/00/39/74/553003974.db2.gz YDIGEAIEZAAKBG-LBPRGKRZSA-N 1 1 369.849 2.474 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000296965109 553236277 /nfs/dbraw/zinc/23/62/77/553236277.db2.gz BIYYZTBEUPDUKX-GOSISDBHSA-N 1 1 362.430 2.231 20 5 FEBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000298164242 553392556 /nfs/dbraw/zinc/39/25/56/553392556.db2.gz SUPQGWROGWUBTL-UHFFFAOYSA-N 1 1 357.370 2.263 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298932109 553491686 /nfs/dbraw/zinc/49/16/86/553491686.db2.gz IBKLPKQOYJHVHC-UHFFFAOYSA-N 1 1 372.429 2.022 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299347933 553551467 /nfs/dbraw/zinc/55/14/67/553551467.db2.gz QRRMDAOZWJWVAP-UHFFFAOYSA-N 1 1 356.810 2.035 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000299530809 553576611 /nfs/dbraw/zinc/57/66/11/553576611.db2.gz RKOBVZZDVSUZEI-UHFFFAOYSA-N 1 1 361.358 2.445 20 5 FEBDMO C[C@](O)(CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000301797572 553680256 /nfs/dbraw/zinc/68/02/56/553680256.db2.gz ZDNWJODVRPZDOB-AWEZNQCLSA-N 1 1 363.336 2.109 20 5 FEBDMO Cc1ccnc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302492217 553718305 /nfs/dbraw/zinc/71/83/05/553718305.db2.gz ZNAPZYKAVLSYSP-LJQANCHMSA-N 1 1 356.426 2.371 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000303073570 553744172 /nfs/dbraw/zinc/74/41/72/553744172.db2.gz QGFIWLSNXLKCPF-CYBMUJFWSA-N 1 1 355.460 2.167 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331423055 554262194 /nfs/dbraw/zinc/26/21/94/554262194.db2.gz XFAMLKZJRKAHEC-HNNXBMFYSA-N 1 1 374.441 2.176 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331423055 554262199 /nfs/dbraw/zinc/26/21/99/554262199.db2.gz XFAMLKZJRKAHEC-HNNXBMFYSA-N 1 1 374.441 2.176 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000331493602 554274469 /nfs/dbraw/zinc/27/44/69/554274469.db2.gz KSBDVNSHAJYEJW-NSHDSACASA-N 1 1 354.204 2.324 20 5 FEBDMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000332422465 554444034 /nfs/dbraw/zinc/44/40/34/554444034.db2.gz ABFRNNDWDJAUTO-YOEHRIQHSA-N 1 1 367.471 2.026 20 5 FEBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000332422465 554444037 /nfs/dbraw/zinc/44/40/37/554444037.db2.gz ABFRNNDWDJAUTO-YOEHRIQHSA-N 1 1 367.471 2.026 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000332469745 554452074 /nfs/dbraw/zinc/45/20/74/554452074.db2.gz UFPZBKQDHCOOHX-UHFFFAOYSA-N 1 1 364.427 2.434 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000511072644 561855822 /nfs/dbraw/zinc/85/58/22/561855822.db2.gz GNOHTCFSEZICLZ-HNNXBMFYSA-N 1 1 374.393 2.238 20 5 FEBDMO Cn1nccc1[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000360305941 554870433 /nfs/dbraw/zinc/87/04/33/554870433.db2.gz OWHYVCLTPJXBBB-OAHLLOKOSA-N 1 1 369.425 2.097 20 5 FEBDMO Cn1nccc1[C@@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000360305941 554870436 /nfs/dbraw/zinc/87/04/36/554870436.db2.gz OWHYVCLTPJXBBB-OAHLLOKOSA-N 1 1 369.425 2.097 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000361953541 554940403 /nfs/dbraw/zinc/94/04/03/554940403.db2.gz AGRVETMKDHXORM-CQSZACIVSA-N 1 1 363.414 2.290 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000362076558 554947674 /nfs/dbraw/zinc/94/76/74/554947674.db2.gz HDQFUXSBBQVXOB-UONOGXRCSA-N 1 1 355.398 2.137 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000362388289 554968301 /nfs/dbraw/zinc/96/83/01/554968301.db2.gz CXAQLACZSHKJMA-LSDHHAIUSA-N 1 1 361.398 2.128 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000362470051 554973934 /nfs/dbraw/zinc/97/39/34/554973934.db2.gz ZQZCMTZBZYZZPA-STQMWFEESA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000362470051 554973935 /nfs/dbraw/zinc/97/39/35/554973935.db2.gz ZQZCMTZBZYZZPA-STQMWFEESA-N 1 1 353.806 2.231 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)cc2N1 ZINC000362926335 555000050 /nfs/dbraw/zinc/00/00/50/555000050.db2.gz QAYCKFUYZSPKDN-OFQRWUPVSA-N 1 1 356.426 2.400 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000363259327 555066349 /nfs/dbraw/zinc/06/63/49/555066349.db2.gz NCHXNLKKUPHLNY-OFQRWUPVSA-N 1 1 365.455 2.008 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1=CC[N@@H+](C)CC1 ZINC000512122109 561893144 /nfs/dbraw/zinc/89/31/44/561893144.db2.gz HIHLRKAVPUQLNU-GFCCVEGCSA-N 1 1 365.455 2.059 20 5 FEBDMO C[C@H]1OCC[C@]12C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929035 555216283 /nfs/dbraw/zinc/21/62/83/555216283.db2.gz UQUUNPNGGRAEJF-LBTNJELSSA-N 1 1 363.414 2.192 20 5 FEBDMO CCC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000363937510 555218121 /nfs/dbraw/zinc/21/81/21/555218121.db2.gz KQUHWFJRUWPBSB-UHFFFAOYSA-N 1 1 362.430 2.176 20 5 FEBDMO COC(=O)c1cn([C@@H]2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000363994529 555229688 /nfs/dbraw/zinc/22/96/88/555229688.db2.gz BMGXNGKLLAPLCB-IUODEOHRSA-N 1 1 359.386 2.371 20 5 FEBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364044404 555239493 /nfs/dbraw/zinc/23/94/93/555239493.db2.gz XAEGXDBAICIQLC-OLZOCXBDSA-N 1 1 362.386 2.476 20 5 FEBDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(N)c([N+](=O)[O-])c1 ZINC000364569594 555341358 /nfs/dbraw/zinc/34/13/58/555341358.db2.gz NMJGORFSFMWFBB-KSSFIOAISA-N 1 1 369.425 2.303 20 5 FEBDMO O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000364594843 555347558 /nfs/dbraw/zinc/34/75/58/555347558.db2.gz JHOTZYJVBHVWDJ-XCVZWFEFSA-N 1 1 365.817 2.241 20 5 FEBDMO O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000364594843 555347562 /nfs/dbraw/zinc/34/75/62/555347562.db2.gz JHOTZYJVBHVWDJ-XCVZWFEFSA-N 1 1 365.817 2.241 20 5 FEBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000364610802 555352231 /nfs/dbraw/zinc/35/22/31/555352231.db2.gz FKIYRVJWTBRWGU-UHFFFAOYSA-N 1 1 374.372 2.183 20 5 FEBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000364610802 555352233 /nfs/dbraw/zinc/35/22/33/555352233.db2.gz FKIYRVJWTBRWGU-UHFFFAOYSA-N 1 1 374.372 2.183 20 5 FEBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000364956019 555449331 /nfs/dbraw/zinc/44/93/31/555449331.db2.gz RHZGOLNCTGTHSV-NSHDSACASA-N 1 1 356.810 2.169 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H]1c1cccs1 ZINC000364965462 555452640 /nfs/dbraw/zinc/45/26/40/555452640.db2.gz UBDFUXHIWAKBKA-QMTHXVAHSA-N 1 1 361.427 2.056 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187251 555505616 /nfs/dbraw/zinc/50/56/16/555505616.db2.gz RGOINJBKBULRAH-NEPJUHHUSA-N 1 1 354.794 2.233 20 5 FEBDMO COc1ccc(C)cc1NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365857330 555684606 /nfs/dbraw/zinc/68/46/06/555684606.db2.gz LNWBRNZAUIPLDL-UHFFFAOYSA-N 1 1 373.413 2.384 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366117958 555757388 /nfs/dbraw/zinc/75/73/88/555757388.db2.gz GONYPCIZANEKEC-CZUORRHYSA-N 1 1 355.398 2.025 20 5 FEBDMO CC(C)NC(=O)c1ccc(N2CC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000366835760 555946988 /nfs/dbraw/zinc/94/69/88/555946988.db2.gz ZMSWZLRGKSNOER-AWEZNQCLSA-N 1 1 357.414 2.460 20 5 FEBDMO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1 ZINC000367454127 556054417 /nfs/dbraw/zinc/05/44/17/556054417.db2.gz LXRQPQKLNFPLBX-KXPUMZMLSA-N 1 1 372.469 2.235 20 5 FEBDMO C[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C1CCN(C)CC1 ZINC000367454127 556054420 /nfs/dbraw/zinc/05/44/20/556054420.db2.gz LXRQPQKLNFPLBX-KXPUMZMLSA-N 1 1 372.469 2.235 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000515024300 561992323 /nfs/dbraw/zinc/99/23/23/561992323.db2.gz HXTYWPOYXCIYFI-UHFFFAOYSA-N 1 1 359.430 2.354 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368592276 556356687 /nfs/dbraw/zinc/35/66/87/556356687.db2.gz QATIYLXMLZWSTO-KDOFPFPSSA-N 1 1 358.442 2.361 20 5 FEBDMO CCCC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368772594 556409610 /nfs/dbraw/zinc/40/96/10/556409610.db2.gz MZSIARGHZGCFHZ-UHFFFAOYSA-N 1 1 362.430 2.258 20 5 FEBDMO Cc1c(-c2cc(C[N@@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)on2)cnn1C ZINC000369017315 556477417 /nfs/dbraw/zinc/47/74/17/556477417.db2.gz NYTVSBWCXNQZJO-ZDUSSCGKSA-N 1 1 371.401 2.325 20 5 FEBDMO Cc1c(-c2cc(C[N@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)on2)cnn1C ZINC000369017315 556477418 /nfs/dbraw/zinc/47/74/18/556477418.db2.gz NYTVSBWCXNQZJO-ZDUSSCGKSA-N 1 1 371.401 2.325 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)cc2)C[C@H](C)O1 ZINC000515816623 562022722 /nfs/dbraw/zinc/02/27/22/562022722.db2.gz FLBLQLRNKOHPGR-OKILXGFUSA-N 1 1 372.425 2.462 20 5 FEBDMO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])s3)CCC[N@H+]2C)cn1 ZINC000369818890 556703649 /nfs/dbraw/zinc/70/36/49/556703649.db2.gz KBVKDVCICGGTGU-NHYWBVRUSA-N 1 1 363.443 2.203 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963291 556743296 /nfs/dbraw/zinc/74/32/96/556743296.db2.gz QGIRYRHXGJEYLU-FCLVOEFKSA-N 1 1 363.458 2.107 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)c1[N+](=O)[O-] ZINC000370350145 556847317 /nfs/dbraw/zinc/84/73/17/556847317.db2.gz UGSMCMANRGFJRE-CYBMUJFWSA-N 1 1 360.418 2.434 20 5 FEBDMO CCc1nc(CN2C[C@@H]3C[N@H+](CCc4ccc([N+](=O)[O-])cc4)C[C@@H]3C2)no1 ZINC000370744652 556955934 /nfs/dbraw/zinc/95/59/34/556955934.db2.gz IAALXMVFXUDTBP-IYBDPMFKSA-N 1 1 371.441 2.147 20 5 FEBDMO Cn1cc([C@@H]2[C@H](CNC(=O)c3csc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000370920076 557015765 /nfs/dbraw/zinc/01/57/65/557015765.db2.gz YVQFZRYJHALZKM-NHYWBVRUSA-N 1 1 363.443 2.203 20 5 FEBDMO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)CCC[N@H+]2C)cn1 ZINC000370926494 557019063 /nfs/dbraw/zinc/01/90/63/557019063.db2.gz BKJOOSWYBJOUCE-PBHICJAKSA-N 1 1 357.414 2.141 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000517393091 562088621 /nfs/dbraw/zinc/08/86/21/562088621.db2.gz HUJQZFOBHWWGFY-GFCCVEGCSA-N 1 1 371.235 2.109 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000517569629 562092679 /nfs/dbraw/zinc/09/26/79/562092679.db2.gz MGOUIPXISIVUGV-DZGCQCFKSA-N 1 1 364.446 2.044 20 5 FEBDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)on1 ZINC000372246436 557420549 /nfs/dbraw/zinc/42/05/49/557420549.db2.gz DCMWTKCXWZZQHD-UHFFFAOYSA-N 1 1 374.397 2.333 20 5 FEBDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372289053 557430941 /nfs/dbraw/zinc/43/09/41/557430941.db2.gz NUINORDQLCUDAD-GOEBONIOSA-N 1 1 369.425 2.406 20 5 FEBDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372289053 557430942 /nfs/dbraw/zinc/43/09/42/557430942.db2.gz NUINORDQLCUDAD-GOEBONIOSA-N 1 1 369.425 2.406 20 5 FEBDMO CCN(C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000372289773 557431327 /nfs/dbraw/zinc/43/13/27/557431327.db2.gz RHVKHEBVIVZHFT-INIZCTEOSA-N 1 1 357.414 2.481 20 5 FEBDMO CCN(C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000372289773 557431329 /nfs/dbraw/zinc/43/13/29/557431329.db2.gz RHVKHEBVIVZHFT-INIZCTEOSA-N 1 1 357.414 2.481 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000372444166 557472177 /nfs/dbraw/zinc/47/21/77/557472177.db2.gz BZXRHOZWPSSGOF-LPHOPBHVSA-N 1 1 354.410 2.342 20 5 FEBDMO C[NH+](C)[C@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000372478719 557480713 /nfs/dbraw/zinc/48/07/13/557480713.db2.gz VXFHVHHZHTZHJF-WBVHZDCISA-N 1 1 357.414 2.258 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000519563255 562134979 /nfs/dbraw/zinc/13/49/79/562134979.db2.gz APOBMLCBQGTDBM-QXSWTLKVSA-N 1 1 367.471 2.354 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000519563255 562134980 /nfs/dbraw/zinc/13/49/80/562134980.db2.gz APOBMLCBQGTDBM-QXSWTLKVSA-N 1 1 367.471 2.354 20 5 FEBDMO Cc1nc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])nc2ccccc12 ZINC000519637601 562138145 /nfs/dbraw/zinc/13/81/45/562138145.db2.gz JQVQOEGMTXGMCR-CQSZACIVSA-N 1 1 368.393 2.376 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000373106719 557629802 /nfs/dbraw/zinc/62/98/02/557629802.db2.gz LZSXVUNOHURADN-HNNXBMFYSA-N 1 1 356.382 2.042 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000373933681 557790285 /nfs/dbraw/zinc/79/02/85/557790285.db2.gz NFDXSMHTPWSFHT-QAPCUYQASA-N 1 1 373.457 2.053 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374021715 557809335 /nfs/dbraw/zinc/80/93/35/557809335.db2.gz IMUGYAZPPXSNGL-CZUORRHYSA-N 1 1 355.398 2.137 20 5 FEBDMO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@H+]1CCCC[C@H]1C ZINC000520972475 562166726 /nfs/dbraw/zinc/16/67/26/562166726.db2.gz WBMNLXQEQCKGID-ZIAGYGMSSA-N 1 1 372.429 2.168 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000374854530 557941321 /nfs/dbraw/zinc/94/13/21/557941321.db2.gz GBXHTLJWVASMDP-CQSZACIVSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000374854530 557941322 /nfs/dbraw/zinc/94/13/22/557941322.db2.gz GBXHTLJWVASMDP-CQSZACIVSA-N 1 1 359.386 2.492 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCN[C@H](c3ccccc3Cl)C2)c1[N+](=O)[O-] ZINC000374868572 557943477 /nfs/dbraw/zinc/94/34/77/557943477.db2.gz MCKBCOBMSVQWJZ-ZDUSSCGKSA-N 1 1 363.805 2.320 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOCC2(CCC2)C1 ZINC000375210614 557992599 /nfs/dbraw/zinc/99/25/99/557992599.db2.gz ZUQKOOCDDKAXSK-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375318545 558008347 /nfs/dbraw/zinc/00/83/47/558008347.db2.gz KICWTODZGNXJJQ-BXUZGUMPSA-N 1 1 355.358 2.244 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000375318545 558008348 /nfs/dbraw/zinc/00/83/48/558008348.db2.gz KICWTODZGNXJJQ-BXUZGUMPSA-N 1 1 355.358 2.244 20 5 FEBDMO Cc1n[nH]cc1C1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000375347177 558013015 /nfs/dbraw/zinc/01/30/15/558013015.db2.gz BYSUYTLEEWZCMS-UHFFFAOYSA-N 1 1 369.425 2.395 20 5 FEBDMO CC1(c2cc(N3CC[NH+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)CC3)n[nH]2)CC1 ZINC000375396419 558020446 /nfs/dbraw/zinc/02/04/46/558020446.db2.gz VCXPEAOBXGFPIN-MRXNPFEDSA-N 1 1 371.441 2.225 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000521428481 562176154 /nfs/dbraw/zinc/17/61/54/562176154.db2.gz YUFYXQJYAIDCPG-MAUKXSAKSA-N 1 1 352.394 2.336 20 5 FEBDMO CCN1C(=O)[C@H]2C[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCN2C1=O ZINC000375841472 558087980 /nfs/dbraw/zinc/08/79/80/558087980.db2.gz NUYDTJKHRCLVFB-MRXNPFEDSA-N 1 1 360.414 2.187 20 5 FEBDMO CCN1C(=O)[C@H]2C[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCN2C1=O ZINC000375841472 558087981 /nfs/dbraw/zinc/08/79/81/558087981.db2.gz NUYDTJKHRCLVFB-MRXNPFEDSA-N 1 1 360.414 2.187 20 5 FEBDMO COc1cc(C[NH+]2CCC3(CC2)SCC(=O)N3C)c([N+](=O)[O-])cc1F ZINC000376946804 558243025 /nfs/dbraw/zinc/24/30/25/558243025.db2.gz FITPNDUAPMZVQR-UHFFFAOYSA-N 1 1 369.418 2.240 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000377168194 558280835 /nfs/dbraw/zinc/28/08/35/558280835.db2.gz JTJCGVYESSRDBF-XYPHTWIQSA-N 1 1 374.441 2.350 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000377168179 558280957 /nfs/dbraw/zinc/28/09/57/558280957.db2.gz JPKCRNMXXGKTRW-XKQJLSEDSA-N 1 1 374.441 2.350 20 5 FEBDMO CCC[C@@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377497349 558351592 /nfs/dbraw/zinc/35/15/92/558351592.db2.gz WCKPQGBIKRLQJQ-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO CCC[C@@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377497349 558351594 /nfs/dbraw/zinc/35/15/94/558351594.db2.gz WCKPQGBIKRLQJQ-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO C[N@H+]1CC[C@@H](CNc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000377995042 558459390 /nfs/dbraw/zinc/45/93/90/558459390.db2.gz UJSYLEKNJSDCQB-YOEHRIQHSA-N 1 1 355.398 2.194 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000378343971 558534409 /nfs/dbraw/zinc/53/44/09/558534409.db2.gz WFWRAQWNYKGSMK-KBPBESRZSA-N 1 1 370.409 2.126 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000378343971 558534411 /nfs/dbraw/zinc/53/44/11/558534411.db2.gz WFWRAQWNYKGSMK-KBPBESRZSA-N 1 1 370.409 2.126 20 5 FEBDMO Cc1[nH+]c(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2n1CCCC2 ZINC000378354091 558537191 /nfs/dbraw/zinc/53/71/91/558537191.db2.gz IMACQXKXQCQVJG-UHFFFAOYSA-N 1 1 364.427 2.056 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000378407565 558549692 /nfs/dbraw/zinc/54/96/92/558549692.db2.gz XVYWLXSRSVFBMF-IUODEOHRSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000378407565 558549695 /nfs/dbraw/zinc/54/96/95/558549695.db2.gz XVYWLXSRSVFBMF-IUODEOHRSA-N 1 1 363.805 2.157 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378422050 558553424 /nfs/dbraw/zinc/55/34/24/558553424.db2.gz AKKYXVWCWKEUGX-SFHVURJKSA-N 1 1 362.474 2.204 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000378506814 558572271 /nfs/dbraw/zinc/57/22/71/558572271.db2.gz JNJIRFBLIHBLKG-SWLSCSKDSA-N 1 1 353.444 2.120 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000378506814 558572272 /nfs/dbraw/zinc/57/22/72/558572272.db2.gz JNJIRFBLIHBLKG-SWLSCSKDSA-N 1 1 353.444 2.120 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316033 558666180 /nfs/dbraw/zinc/66/61/80/558666180.db2.gz NFEZEXZYUHASJN-STQMWFEESA-N 1 1 371.434 2.290 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000409526103 558700345 /nfs/dbraw/zinc/70/03/45/558700345.db2.gz XXXCOKALIYBTGR-AWEZNQCLSA-N 1 1 373.413 2.193 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1C ZINC000411659163 558937903 /nfs/dbraw/zinc/93/79/03/558937903.db2.gz YDQXWQVSHCUYLC-XJKSGUPXSA-N 1 1 351.403 2.049 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411929987 558990197 /nfs/dbraw/zinc/99/01/97/558990197.db2.gz YKZAEGZXWSSFSW-NUJGCVRESA-N 1 1 358.394 2.142 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411974384 558997974 /nfs/dbraw/zinc/99/79/74/558997974.db2.gz UARUKEFOFDHJEA-IBGZPJMESA-N 1 1 355.394 2.232 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054836 559007461 /nfs/dbraw/zinc/00/74/61/559007461.db2.gz JNDYJWVIOYBAGP-LSDHHAIUSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054836 559007462 /nfs/dbraw/zinc/00/74/62/559007462.db2.gz JNDYJWVIOYBAGP-LSDHHAIUSA-N 1 1 374.441 2.399 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412086145 559011390 /nfs/dbraw/zinc/01/13/90/559011390.db2.gz BDLIDPVMFZOVAX-LBPRGKRZSA-N 1 1 353.394 2.276 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000412090881 559012467 /nfs/dbraw/zinc/01/24/67/559012467.db2.gz YGKIPGPUVYFWIE-ZDUSSCGKSA-N 1 1 354.428 2.332 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000412090881 559012469 /nfs/dbraw/zinc/01/24/69/559012469.db2.gz YGKIPGPUVYFWIE-ZDUSSCGKSA-N 1 1 354.428 2.332 20 5 FEBDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)c1ncc([N+](=O)[O-])cc1F ZINC000413158978 559084074 /nfs/dbraw/zinc/08/40/74/559084074.db2.gz WOXOKWOJGJRPSD-UHFFFAOYSA-N 1 1 359.405 2.387 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000414475823 559167640 /nfs/dbraw/zinc/16/76/40/559167640.db2.gz YOIAITFZUMLZFX-GFCCVEGCSA-N 1 1 366.443 2.277 20 5 FEBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000416304437 559304397 /nfs/dbraw/zinc/30/43/97/559304397.db2.gz YZXLCEJARURWBO-KBPBESRZSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000416304437 559304398 /nfs/dbraw/zinc/30/43/98/559304398.db2.gz YZXLCEJARURWBO-KBPBESRZSA-N 1 1 363.458 2.419 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000416547628 559321046 /nfs/dbraw/zinc/32/10/46/559321046.db2.gz AAVHLXWRBMFFPE-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001124 559425162 /nfs/dbraw/zinc/42/51/62/559425162.db2.gz LHNHHSKGJLVVFA-LSDHHAIUSA-N 1 1 371.441 2.252 20 5 FEBDMO Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001120 559425182 /nfs/dbraw/zinc/42/51/82/559425182.db2.gz LHNHHSKGJLVVFA-HUUCEWRRSA-N 1 1 371.441 2.252 20 5 FEBDMO O=C1C[NH2+]CCN1[C@@H]1CCCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420230738 559477116 /nfs/dbraw/zinc/47/71/16/559477116.db2.gz AMIRAOFMBOBXGJ-LLVKDONJSA-N 1 1 373.240 2.302 20 5 FEBDMO Cc1ccc(N2CCC(Nc3c(C(N)=O)cccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000420603577 559493608 /nfs/dbraw/zinc/49/36/08/559493608.db2.gz QETUYXQGZVZPPV-UHFFFAOYSA-N 1 1 355.398 2.478 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000420761915 559502984 /nfs/dbraw/zinc/50/29/84/559502984.db2.gz HPBOPBCYXRGCDD-LLVKDONJSA-N 1 1 361.851 2.271 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421011796 559519480 /nfs/dbraw/zinc/51/94/80/559519480.db2.gz HMKJGZIIIRTVTD-UONOGXRCSA-N 1 1 365.430 2.415 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000421372587 559540580 /nfs/dbraw/zinc/54/05/80/559540580.db2.gz DMIJWDKLIXAWMM-UHFFFAOYSA-N 1 1 355.441 2.067 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000421372587 559540581 /nfs/dbraw/zinc/54/05/81/559540581.db2.gz DMIJWDKLIXAWMM-UHFFFAOYSA-N 1 1 355.441 2.067 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1SC ZINC000421705252 559550175 /nfs/dbraw/zinc/55/01/75/559550175.db2.gz QVKYXJPERYZAQL-LLVKDONJSA-N 1 1 353.444 2.492 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425090714 559686809 /nfs/dbraw/zinc/68/68/09/559686809.db2.gz XGGQMCLXVAJQQI-UHFFFAOYSA-N 1 1 364.431 2.194 20 5 FEBDMO O=C1CC2(CN1)CC[NH+](Cc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000425422675 559701314 /nfs/dbraw/zinc/70/13/14/559701314.db2.gz SOKXQPNRUNQQLH-UHFFFAOYSA-N 1 1 368.231 2.459 20 5 FEBDMO C[C@@H](CO)[N@H+]1CCCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425450273 559702783 /nfs/dbraw/zinc/70/27/83/559702783.db2.gz UKCKNFMQMXKCNJ-LBPRGKRZSA-N 1 1 372.263 2.246 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC[N@@H+]1CCOC ZINC000427019597 559745935 /nfs/dbraw/zinc/74/59/35/559745935.db2.gz AUYNMJSVCKNANK-OAHLLOKOSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2OC)CC[N@H+]1CCOC ZINC000427019597 559745936 /nfs/dbraw/zinc/74/59/36/559745936.db2.gz AUYNMJSVCKNANK-OAHLLOKOSA-N 1 1 365.430 2.176 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1F)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428534440 559777308 /nfs/dbraw/zinc/77/73/08/559777308.db2.gz KAOCVKVRLJJOHB-KRWDZBQOSA-N 1 1 373.384 2.482 20 5 FEBDMO Cc1cc(OCC(=O)NCC[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000430311026 559817490 /nfs/dbraw/zinc/81/74/90/559817490.db2.gz GRFGDBGGOCIKOG-UHFFFAOYSA-N 1 1 369.421 2.457 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433323235 559876950 /nfs/dbraw/zinc/87/69/50/559876950.db2.gz VPLNLHVAYXRDJN-CJNGLKHVSA-N 1 1 350.806 2.295 20 5 FEBDMO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000433365640 559878758 /nfs/dbraw/zinc/87/87/58/559878758.db2.gz WYTXKIDDIQCXSD-KSSFIOAISA-N 1 1 370.409 2.460 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000433365640 559878759 /nfs/dbraw/zinc/87/87/59/559878759.db2.gz WYTXKIDDIQCXSD-KSSFIOAISA-N 1 1 370.409 2.460 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000433557363 559884215 /nfs/dbraw/zinc/88/42/15/559884215.db2.gz FPPFSQWSYPGSBO-UHFFFAOYSA-N 1 1 366.418 2.178 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000433557363 559884216 /nfs/dbraw/zinc/88/42/16/559884216.db2.gz FPPFSQWSYPGSBO-UHFFFAOYSA-N 1 1 366.418 2.178 20 5 FEBDMO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000440502134 560012707 /nfs/dbraw/zinc/01/27/07/560012707.db2.gz GMWNDIDVMXYEJZ-HXUWFJFHSA-N 1 1 369.421 2.270 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441203440 560026226 /nfs/dbraw/zinc/02/62/26/560026226.db2.gz GQIGYGFHKAAZAI-UONOGXRCSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441203440 560026227 /nfs/dbraw/zinc/02/62/27/560026227.db2.gz GQIGYGFHKAAZAI-UONOGXRCSA-N 1 1 363.414 2.290 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447937713 560173900 /nfs/dbraw/zinc/17/39/00/560173900.db2.gz BTPAOMMXGATEPM-OAHLLOKOSA-N 1 1 355.460 2.135 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@H]1C ZINC000450314877 560258141 /nfs/dbraw/zinc/25/81/41/560258141.db2.gz CJSVZBATSIUVPT-KGLIPLIRSA-N 1 1 357.414 2.335 20 5 FEBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc([N+](=O)[O-])c(-n3ccnc3)c1)CC2 ZINC000450377038 560260554 /nfs/dbraw/zinc/26/05/54/560260554.db2.gz ICJMEPXVIHPFIU-UHFFFAOYSA-N 1 1 369.425 2.481 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000450471659 560263483 /nfs/dbraw/zinc/26/34/83/560263483.db2.gz DLKWLBWAECUWKU-CYBMUJFWSA-N 1 1 360.414 2.045 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000451033431 560283740 /nfs/dbraw/zinc/28/37/40/560283740.db2.gz UDAGLRMUGZINTB-SFHVURJKSA-N 1 1 359.382 2.045 20 5 FEBDMO C[C@@]12C[N@@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451357498 560302500 /nfs/dbraw/zinc/30/25/00/560302500.db2.gz AOKBEFMYVILEKN-VWQQLOEOSA-N 1 1 371.393 2.406 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000451727303 560324993 /nfs/dbraw/zinc/32/49/93/560324993.db2.gz ANRVXVNMWZLKFI-AWEZNQCLSA-N 1 1 362.430 2.309 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890509 560334887 /nfs/dbraw/zinc/33/48/87/560334887.db2.gz NIYZVFBKHMZVGZ-HZMBPMFUSA-N 1 1 361.320 2.169 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909570 560336485 /nfs/dbraw/zinc/33/64/85/560336485.db2.gz XHWPNSMCNJXZIS-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000452095467 560350952 /nfs/dbraw/zinc/35/09/52/560350952.db2.gz KWKXFLDVPAJFTJ-GFCCVEGCSA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1cnc(CC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000453387798 560386026 /nfs/dbraw/zinc/38/60/26/560386026.db2.gz BFWMIQZENHEEEF-KRWDZBQOSA-N 1 1 352.398 2.348 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454192205 560434063 /nfs/dbraw/zinc/43/40/63/560434063.db2.gz BBNYNTIUVONPAK-LBPRGKRZSA-N 1 1 356.810 2.217 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000455252348 560475590 /nfs/dbraw/zinc/47/55/90/560475590.db2.gz UINOANFLOLYYQX-CQSZACIVSA-N 1 1 350.419 2.180 20 5 FEBDMO CNc1nc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000455681294 560491605 /nfs/dbraw/zinc/49/16/05/560491605.db2.gz FZRGRYMJKKNUQE-UHFFFAOYSA-N 1 1 370.413 2.134 20 5 FEBDMO CNc1nc(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000456056812 560505624 /nfs/dbraw/zinc/50/56/24/560505624.db2.gz UUHNBCRALFPDPL-UHFFFAOYSA-N 1 1 370.413 2.265 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)n1 ZINC000456317393 560515062 /nfs/dbraw/zinc/51/50/62/560515062.db2.gz APSUPCSKPRLEOG-HNNXBMFYSA-N 1 1 371.441 2.405 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000457082888 560547602 /nfs/dbraw/zinc/54/76/02/560547602.db2.gz FNWFBZJXMFVXPL-OAHLLOKOSA-N 1 1 357.414 2.335 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000457109429 560549737 /nfs/dbraw/zinc/54/97/37/560549737.db2.gz GTPBKQGJVHOSCP-CYBMUJFWSA-N 1 1 358.398 2.403 20 5 FEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000457117761 560550572 /nfs/dbraw/zinc/55/05/72/560550572.db2.gz MLGFSCTWAVBROZ-LBPRGKRZSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1nn(Cc2ccc(C(=O)NC3C[NH+](C(C)C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000457758836 560586265 /nfs/dbraw/zinc/58/62/65/560586265.db2.gz ZQYRPQHQEFIMKE-UHFFFAOYSA-N 1 1 371.441 2.279 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459278695 560677422 /nfs/dbraw/zinc/67/74/22/560677422.db2.gz BMMMJTIPPMXJRR-AWEZNQCLSA-N 1 1 362.430 2.099 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000459508719 560690820 /nfs/dbraw/zinc/69/08/20/560690820.db2.gz MJEIMSJUUJSODM-KRWDZBQOSA-N 1 1 356.426 2.106 20 5 FEBDMO CN(C)CC(C)(C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000459544611 560693253 /nfs/dbraw/zinc/69/32/53/560693253.db2.gz DOWCDYSBRCUKLR-UHFFFAOYSA-N 1 1 373.251 2.226 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460159331 560736588 /nfs/dbraw/zinc/73/65/88/560736588.db2.gz DSUJIQQJSCOAPR-CYBMUJFWSA-N 1 1 373.413 2.340 20 5 FEBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000462425672 560809589 /nfs/dbraw/zinc/80/95/89/560809589.db2.gz FSWFZJTZSISHNH-UHFFFAOYSA-N 1 1 358.398 2.493 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713616 560915472 /nfs/dbraw/zinc/91/54/72/560915472.db2.gz MVPPIATZXHFMAN-MGPLVRAMSA-N 1 1 356.382 2.061 20 5 FEBDMO O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000469858013 560966794 /nfs/dbraw/zinc/96/67/94/560966794.db2.gz AAZSLYKREVRQQX-CQSZACIVSA-N 1 1 360.439 2.270 20 5 FEBDMO O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000469858013 560966795 /nfs/dbraw/zinc/96/67/95/560966795.db2.gz AAZSLYKREVRQQX-CQSZACIVSA-N 1 1 360.439 2.270 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)NCCc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000470362136 560979492 /nfs/dbraw/zinc/97/94/92/560979492.db2.gz CQDZYEIYZMRBLW-UHFFFAOYSA-N 1 1 369.425 2.373 20 5 FEBDMO CCCc1ccc([C@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)CC(N)=O)cc1 ZINC000472434653 561026485 /nfs/dbraw/zinc/02/64/85/561026485.db2.gz WINAETUBZBWFMR-AWEZNQCLSA-N 1 1 359.430 2.292 20 5 FEBDMO CCCc1ccc([C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC(N)=O)cc1 ZINC000472434653 561026486 /nfs/dbraw/zinc/02/64/86/561026486.db2.gz WINAETUBZBWFMR-AWEZNQCLSA-N 1 1 359.430 2.292 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000473932593 561061039 /nfs/dbraw/zinc/06/10/39/561061039.db2.gz MDNLUDOPHMUSOC-JSGCOSHPSA-N 1 1 355.460 2.302 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCOCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000475119601 561090915 /nfs/dbraw/zinc/09/09/15/561090915.db2.gz PJKJZKNCQDDENN-UHFFFAOYSA-N 1 1 364.398 2.149 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000475119601 561090916 /nfs/dbraw/zinc/09/09/16/561090916.db2.gz PJKJZKNCQDDENN-UHFFFAOYSA-N 1 1 364.398 2.149 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@](C)(OC)C2)cc1[N+](=O)[O-] ZINC000475293121 561094228 /nfs/dbraw/zinc/09/42/28/561094228.db2.gz WHVMBJFADCYJIZ-KRWDZBQOSA-N 1 1 352.387 2.148 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000476646533 561125231 /nfs/dbraw/zinc/12/52/31/561125231.db2.gz GKGDDTZNRVVYSU-IUODEOHRSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000476646533 561125232 /nfs/dbraw/zinc/12/52/32/561125232.db2.gz GKGDDTZNRVVYSU-IUODEOHRSA-N 1 1 363.805 2.157 20 5 FEBDMO COc1ccc(NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000476673033 561125707 /nfs/dbraw/zinc/12/57/07/561125707.db2.gz XUFXCNXUBYEKJO-UHFFFAOYSA-N 1 1 370.369 2.392 20 5 FEBDMO C[NH+]1CCN(CCCCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000531140303 562436032 /nfs/dbraw/zinc/43/60/32/562436032.db2.gz AUYUOHDPFQXBRF-UHFFFAOYSA-N 1 1 372.267 2.192 20 5 FEBDMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000532175622 562469968 /nfs/dbraw/zinc/46/99/68/562469968.db2.gz GUKSURNGBODQSP-MSOLQXFVSA-N 1 1 372.425 2.449 20 5 FEBDMO C[C@@H](O)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000532574438 562482087 /nfs/dbraw/zinc/48/20/87/562482087.db2.gz FIFBAPASQQNECP-OAHLLOKOSA-N 1 1 369.421 2.367 20 5 FEBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000532574438 562482088 /nfs/dbraw/zinc/48/20/88/562482088.db2.gz FIFBAPASQQNECP-OAHLLOKOSA-N 1 1 369.421 2.367 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(CCO)CC1 ZINC000532958792 562493875 /nfs/dbraw/zinc/49/38/75/562493875.db2.gz UCNHUBPLINMCMC-LBPRGKRZSA-N 1 1 351.403 2.025 20 5 FEBDMO CN1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccc[nH+]c21 ZINC000534954739 562546217 /nfs/dbraw/zinc/54/62/17/562546217.db2.gz YNOXRXAVLSCWDX-UHFFFAOYSA-N 1 1 352.354 2.496 20 5 FEBDMO C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162337 562586768 /nfs/dbraw/zinc/58/67/68/562586768.db2.gz VDROBVQRGMRBBA-YWZLYKJASA-N 1 1 369.421 2.409 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@H]1C ZINC000569000838 568266129 /nfs/dbraw/zinc/26/61/29/568266129.db2.gz NUQSXOBCDODRLM-KGLIPLIRSA-N 1 1 366.437 2.489 20 5 FEBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736705557 598338843 /nfs/dbraw/zinc/33/88/43/598338843.db2.gz KFMABPPFJGTZLX-CYBMUJFWSA-N 1 1 368.401 2.375 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000557742295 674463539 /nfs/dbraw/zinc/46/35/39/674463539.db2.gz FJSWRFVLKRFOPD-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)NC(=O)NC1=O ZINC000809705146 674506219 /nfs/dbraw/zinc/50/62/19/674506219.db2.gz OVQDBYBLSVXCRX-BZNIZROVSA-N 1 1 366.805 2.201 20 5 FEBDMO CC(=O)NCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000558864758 674518532 /nfs/dbraw/zinc/51/85/32/674518532.db2.gz ARBIWUKZJQAPPG-UHFFFAOYSA-N 1 1 351.472 2.471 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000811543424 674612333 /nfs/dbraw/zinc/61/23/33/674612333.db2.gz VIKUVGCKGITFAB-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CN(CCCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-])CC[NH+](C)C ZINC000811543424 674612335 /nfs/dbraw/zinc/61/23/35/674612335.db2.gz VIKUVGCKGITFAB-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO COC(=O)c1cc(C)nc(NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000561107348 674637819 /nfs/dbraw/zinc/63/78/19/674637819.db2.gz ZZZFSKDRWNHRDD-ZDUSSCGKSA-N 1 1 350.419 2.761 20 5 FEBDMO Cc1cc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000814818174 674881750 /nfs/dbraw/zinc/88/17/50/674881750.db2.gz HIFSMQOQKXJKNC-UHFFFAOYSA-N 1 1 360.336 2.284 20 5 FEBDMO Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)c(Cl)c1 ZINC001048814719 675015613 /nfs/dbraw/zinc/01/56/13/675015613.db2.gz ZPLIEPRSPQLGOB-JYYAWHABSA-N 1 1 363.845 2.204 20 5 FEBDMO Cc1ccc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c(Cl)c1 ZINC001048814719 675015615 /nfs/dbraw/zinc/01/56/15/675015615.db2.gz ZPLIEPRSPQLGOB-JYYAWHABSA-N 1 1 363.845 2.204 20 5 FEBDMO Cc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C[C@H]3C2)c(Cl)c1 ZINC001048814719 675015616 /nfs/dbraw/zinc/01/56/16/675015616.db2.gz ZPLIEPRSPQLGOB-JYYAWHABSA-N 1 1 363.845 2.204 20 5 FEBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000052134625 670309077 /nfs/dbraw/zinc/30/90/77/670309077.db2.gz MTDBPRNFPQYORN-AWEZNQCLSA-N 1 1 359.423 2.028 20 5 FEBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000052134625 670309082 /nfs/dbraw/zinc/30/90/82/670309082.db2.gz MTDBPRNFPQYORN-AWEZNQCLSA-N 1 1 359.423 2.028 20 5 FEBDMO CCn1c(SC[C@H](O)C[N@@H+](C)CC)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000565224830 675103748 /nfs/dbraw/zinc/10/37/48/675103748.db2.gz NQQRROLTOAAPSK-CQSZACIVSA-N 1 1 365.459 2.278 20 5 FEBDMO CCn1c(SC[C@@H](O)C[N@@H+](C)CC)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000565224829 675103832 /nfs/dbraw/zinc/10/38/32/675103832.db2.gz NQQRROLTOAAPSK-AWEZNQCLSA-N 1 1 365.459 2.278 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000093003507 670747455 /nfs/dbraw/zinc/74/74/55/670747455.db2.gz FDBOMPLTENKHKY-ZDUSSCGKSA-N 1 1 373.450 2.395 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000571157038 670825566 /nfs/dbraw/zinc/82/55/66/670825566.db2.gz WZTDXTJMTCBPKV-YGRLFVJLSA-N 1 1 368.231 2.442 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000573931266 671183428 /nfs/dbraw/zinc/18/34/28/671183428.db2.gz PTAZFRRHBBNZCM-LLVKDONJSA-N 1 1 363.805 2.410 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000608811995 675904305 /nfs/dbraw/zinc/90/43/05/675904305.db2.gz AENIQRGEWVSIGG-OKILXGFUSA-N 1 1 351.451 2.011 20 5 FEBDMO C[C@@H]([NH3+])C[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000578322830 671657064 /nfs/dbraw/zinc/65/70/64/671657064.db2.gz MZUFGLCIWQEMSM-RQJHMYQMSA-N 1 1 356.231 2.306 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000119747131 671907433 /nfs/dbraw/zinc/90/74/33/671907433.db2.gz QZAVEPHDDGPAPS-LBPRGKRZSA-N 1 1 369.468 2.455 20 5 FEBDMO CCc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000583081535 672062078 /nfs/dbraw/zinc/06/20/78/672062078.db2.gz TVTLWSJWVDEPJZ-ZDUSSCGKSA-N 1 1 355.460 2.167 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)cc([N+](=O)[O-])c1F ZINC000154305174 672214081 /nfs/dbraw/zinc/21/40/81/672214081.db2.gz JKBWSPIWZLANFS-UHFFFAOYSA-N 1 1 359.423 2.195 20 5 FEBDMO C[N@@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000155474663 672233841 /nfs/dbraw/zinc/23/38/41/672233841.db2.gz BLKGXDITYOHKPR-UHFFFAOYSA-N 1 1 371.434 2.373 20 5 FEBDMO C[N@H+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000155474663 672233844 /nfs/dbraw/zinc/23/38/44/672233844.db2.gz BLKGXDITYOHKPR-UHFFFAOYSA-N 1 1 371.434 2.373 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000159095040 672277450 /nfs/dbraw/zinc/27/74/50/672277450.db2.gz SSCKADSLGROWKW-SECBINFHSA-N 1 1 354.204 2.324 20 5 FEBDMO Cc1cc(F)cc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000176715609 672376351 /nfs/dbraw/zinc/37/63/51/672376351.db2.gz NYNFBKUJCCHURT-BETUJISGSA-N 1 1 353.394 2.271 20 5 FEBDMO CS[C@H]1CCCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610990454 676009313 /nfs/dbraw/zinc/00/93/13/676009313.db2.gz NNAFRGJQIKZPHJ-NSHDSACASA-N 1 1 367.427 2.480 20 5 FEBDMO CS[C@H]1CCCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610990454 676009315 /nfs/dbraw/zinc/00/93/15/676009315.db2.gz NNAFRGJQIKZPHJ-NSHDSACASA-N 1 1 367.427 2.480 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000590165334 672562300 /nfs/dbraw/zinc/56/23/00/672562300.db2.gz GHGYHSJFVQEHSV-QGZVFWFLSA-N 1 1 367.471 2.318 20 5 FEBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC(C[NH+]2CCOCC2)C1 ZINC000590392430 672577571 /nfs/dbraw/zinc/57/75/71/672577571.db2.gz VHVLRGYFYYTQCO-UHFFFAOYSA-N 1 1 361.423 2.214 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590590863 672593673 /nfs/dbraw/zinc/59/36/73/672593673.db2.gz KFVZTBALPDGPFY-DGCLKSJQSA-N 1 1 373.450 2.441 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)n2)c1 ZINC000246738161 672841706 /nfs/dbraw/zinc/84/17/06/672841706.db2.gz GNQXXCMBUBDFGX-HUUCEWRRSA-N 1 1 361.427 2.017 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCS[C@@H]4COCC[C@H]43)n2)c1 ZINC000246738161 672841709 /nfs/dbraw/zinc/84/17/09/672841709.db2.gz GNQXXCMBUBDFGX-HUUCEWRRSA-N 1 1 361.427 2.017 20 5 FEBDMO COC(=O)c1cc(C(=O)NCCC[N@@H+](C)CC(C)C)cc([N+](=O)[O-])c1 ZINC000593206267 672891607 /nfs/dbraw/zinc/89/16/07/672891607.db2.gz AWTCYOUYRTYJNM-UHFFFAOYSA-N 1 1 351.403 2.089 20 5 FEBDMO CC[N@@H+](CCCNC(=O)Cn1cc([N+](=O)[O-])nc1C)C1CCCCC1 ZINC000593251776 672898547 /nfs/dbraw/zinc/89/85/47/672898547.db2.gz SWZGIAZZGBSFTL-UHFFFAOYSA-N 1 1 351.451 2.261 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593339064 672910437 /nfs/dbraw/zinc/91/04/37/672910437.db2.gz NOPDSXGXCDQVCI-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593339064 672910440 /nfs/dbraw/zinc/91/04/40/672910440.db2.gz NOPDSXGXCDQVCI-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO Cc1c(Br)c(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000612449001 676082758 /nfs/dbraw/zinc/08/27/58/676082758.db2.gz FBFITHNMMDCAEM-ONGXEEELSA-N 1 1 359.224 2.192 20 5 FEBDMO Cc1c(Br)c(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000612449001 676082760 /nfs/dbraw/zinc/08/27/60/676082760.db2.gz FBFITHNMMDCAEM-ONGXEEELSA-N 1 1 359.224 2.192 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594793927 673145181 /nfs/dbraw/zinc/14/51/81/673145181.db2.gz WMPLVAULVIKRJZ-ZDUSSCGKSA-N 1 1 355.460 2.302 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000594793918 673145393 /nfs/dbraw/zinc/14/53/93/673145393.db2.gz WKUOSIPLJZBBEC-ZDUSSCGKSA-N 1 1 355.460 2.135 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000443962034 673225362 /nfs/dbraw/zinc/22/53/62/673225362.db2.gz LNHKMDPPKOELNQ-LBPRGKRZSA-N 1 1 364.427 2.116 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000595411498 673246119 /nfs/dbraw/zinc/24/61/19/673246119.db2.gz RJQPNTKTTZMHKI-MRXNPFEDSA-N 1 1 367.471 2.136 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000595827529 673328354 /nfs/dbraw/zinc/32/83/54/673328354.db2.gz DLJMNKIEAJUUHA-LBPRGKRZSA-N 1 1 351.378 2.187 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000595827529 673328355 /nfs/dbraw/zinc/32/83/55/673328355.db2.gz DLJMNKIEAJUUHA-LBPRGKRZSA-N 1 1 351.378 2.187 20 5 FEBDMO CC(C)[N@@H+](C)CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000732028112 673351323 /nfs/dbraw/zinc/35/13/23/673351323.db2.gz OANWDIMMXRRRKH-UHFFFAOYSA-N 1 1 351.375 2.343 20 5 FEBDMO COC(=O)c1c(Cl)c(NCc2c[nH+]c(N(C)C)n2C)ccc1[N+](=O)[O-] ZINC000596126293 673361654 /nfs/dbraw/zinc/36/16/54/673361654.db2.gz MJZJCKISTXHMBR-UHFFFAOYSA-N 1 1 367.793 2.446 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000732575225 673372630 /nfs/dbraw/zinc/37/26/30/673372630.db2.gz YBZHOZWWDCXNOZ-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000539140983 673475996 /nfs/dbraw/zinc/47/59/96/673475996.db2.gz FHMALFMZOXPXLS-UHFFFAOYSA-N 1 1 356.407 2.466 20 5 FEBDMO CCC[N@H+]1CC[C@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342408 673561542 /nfs/dbraw/zinc/56/15/42/673561542.db2.gz MUNHSHNTJVTATC-AWEZNQCLSA-N 1 1 367.471 2.437 20 5 FEBDMO COC(=O)c1ccnc(NCCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000598587612 673586841 /nfs/dbraw/zinc/58/68/41/673586841.db2.gz STQLUZQDQSPULV-UHFFFAOYSA-N 1 1 350.419 2.843 20 5 FEBDMO COC(=O)c1ccnc(NCCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000598590578 673587271 /nfs/dbraw/zinc/58/72/71/673587271.db2.gz PAKVLBKAZOYWJM-CYBMUJFWSA-N 1 1 350.419 2.843 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000598616899 673591030 /nfs/dbraw/zinc/59/10/30/673591030.db2.gz GEVNQPCLYXONKM-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000598616899 673591035 /nfs/dbraw/zinc/59/10/35/673591035.db2.gz GEVNQPCLYXONKM-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000542749331 673601923 /nfs/dbraw/zinc/60/19/23/673601923.db2.gz DOTZTECRWYKSLE-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO CC(C)(C)OC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000543138372 673627173 /nfs/dbraw/zinc/62/71/73/673627173.db2.gz HLCNVSWOBURHLG-UHFFFAOYSA-N 1 1 350.419 2.234 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599058181 673630609 /nfs/dbraw/zinc/63/06/09/673630609.db2.gz FGDZIIOTQKBHPY-UHFFFAOYSA-N 1 1 374.235 2.055 20 5 FEBDMO CC(C)n1cc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000543504186 673650675 /nfs/dbraw/zinc/65/06/75/673650675.db2.gz GZUZFBAPSSJOCG-ZDUSSCGKSA-N 1 1 366.443 2.497 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000599464573 673678800 /nfs/dbraw/zinc/67/88/00/673678800.db2.gz OEUQIQZUGYVWOF-INIZCTEOSA-N 1 1 353.444 2.031 20 5 FEBDMO Cc1ccc(-c2cccc(S(=O)(=O)N3CC[NH2+]CC3)c2)cc1[N+](=O)[O-] ZINC000600791520 673799150 /nfs/dbraw/zinc/79/91/50/673799150.db2.gz QEAKMHIPCPMTSH-UHFFFAOYSA-N 1 1 361.423 2.164 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000601356614 673847550 /nfs/dbraw/zinc/84/75/50/673847550.db2.gz SJPUQRBKWKVQIC-ZYHUDNBSSA-N 1 1 361.489 2.316 20 5 FEBDMO COCCc1ncc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000602474754 673906715 /nfs/dbraw/zinc/90/67/15/673906715.db2.gz RQMBGUNQKITNIP-GFCCVEGCSA-N 1 1 363.443 2.322 20 5 FEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602494205 673906997 /nfs/dbraw/zinc/90/69/97/673906997.db2.gz FOKAWZZSIWGNHJ-ZDUSSCGKSA-N 1 1 360.183 2.131 20 5 FEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000602571467 673908057 /nfs/dbraw/zinc/90/80/57/673908057.db2.gz MYNNJUOFEVDCHX-NSHDSACASA-N 1 1 352.334 2.280 20 5 FEBDMO Cn1cc(C[N@@H+]2CCc3nccc(Br)c3C2)c([N+](=O)[O-])n1 ZINC000602851836 673912107 /nfs/dbraw/zinc/91/21/07/673912107.db2.gz YFSJSSRCVBRTHW-UHFFFAOYSA-N 1 1 352.192 2.044 20 5 FEBDMO Cn1cc(C[N@H+]2CCc3nccc(Br)c3C2)c([N+](=O)[O-])n1 ZINC000602851836 673912109 /nfs/dbraw/zinc/91/21/09/673912109.db2.gz YFSJSSRCVBRTHW-UHFFFAOYSA-N 1 1 352.192 2.044 20 5 FEBDMO COC[C@@]1(CO)CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825158751 675639213 /nfs/dbraw/zinc/63/92/13/675639213.db2.gz YEOGJKPOUNTVBA-AWEZNQCLSA-N 1 1 359.220 2.188 20 5 FEBDMO COC[C@@]1(CO)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000825158751 675639216 /nfs/dbraw/zinc/63/92/16/675639216.db2.gz YEOGJKPOUNTVBA-AWEZNQCLSA-N 1 1 359.220 2.188 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@@H]1C ZINC000827660830 675771595 /nfs/dbraw/zinc/77/15/95/675771595.db2.gz BCRGUAQRJOEZOJ-STQMWFEESA-N 1 1 355.460 2.307 20 5 FEBDMO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000616132233 676240392 /nfs/dbraw/zinc/24/03/92/676240392.db2.gz LJCCSLRRQITKTN-AWEZNQCLSA-N 1 1 352.387 2.005 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000619476417 676379372 /nfs/dbraw/zinc/37/93/72/676379372.db2.gz OOFZDYCXWHGGDO-OLZOCXBDSA-N 1 1 371.459 2.145 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839566055 680762402 /nfs/dbraw/zinc/76/24/02/680762402.db2.gz CAUBKGYDRVTSAL-LLVKDONJSA-N 1 1 368.821 2.129 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839566055 680762405 /nfs/dbraw/zinc/76/24/05/680762405.db2.gz CAUBKGYDRVTSAL-LLVKDONJSA-N 1 1 368.821 2.129 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839592278 680764445 /nfs/dbraw/zinc/76/44/45/680764445.db2.gz QJKDOSAYYDPSKR-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO C[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000764233703 680803465 /nfs/dbraw/zinc/80/34/65/680803465.db2.gz AHFLQQYJAUSZAR-ZDUSSCGKSA-N 1 1 370.475 2.297 20 5 FEBDMO C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000764233703 680803466 /nfs/dbraw/zinc/80/34/66/680803466.db2.gz AHFLQQYJAUSZAR-ZDUSSCGKSA-N 1 1 370.475 2.297 20 5 FEBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C[C@@H]1C ZINC000912024545 685300894 /nfs/dbraw/zinc/30/08/94/685300894.db2.gz PXKKWQRUYSQROZ-BETUJISGSA-N 1 1 367.471 2.234 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000832690412 680166084 /nfs/dbraw/zinc/16/60/84/680166084.db2.gz GESOGFFYGIWWGA-JOYOIKCWSA-N 1 1 354.204 2.133 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]CC2CCC(F)(F)CC2)CC1 ZINC000997773150 680365562 /nfs/dbraw/zinc/36/55/62/680365562.db2.gz UPHNVICHEJEURH-HUUCEWRRSA-N 1 1 359.417 2.305 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000836203470 680435077 /nfs/dbraw/zinc/43/50/77/680435077.db2.gz PTHBBDMZSFVDDV-PHIMTYICSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000836203470 680435080 /nfs/dbraw/zinc/43/50/80/680435080.db2.gz PTHBBDMZSFVDDV-PHIMTYICSA-N 1 1 356.810 2.167 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836368194 680458852 /nfs/dbraw/zinc/45/88/52/680458852.db2.gz LXAFVMDGGNRFOI-LBPRGKRZSA-N 1 1 356.810 2.217 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836600796 680487932 /nfs/dbraw/zinc/48/79/32/680487932.db2.gz ZQLKVQMQJXLANF-NSHDSACASA-N 1 1 356.810 2.217 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000768864438 680962249 /nfs/dbraw/zinc/96/22/49/680962249.db2.gz RAHIECVLMXVRBV-FZMZJTMJSA-N 1 1 371.484 2.294 20 5 FEBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000768865799 680962282 /nfs/dbraw/zinc/96/22/82/680962282.db2.gz OMOPGLULKPHPMD-UKRRQHHQSA-N 1 1 367.452 2.380 20 5 FEBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000768865799 680962285 /nfs/dbraw/zinc/96/22/85/680962285.db2.gz OMOPGLULKPHPMD-UKRRQHHQSA-N 1 1 367.452 2.380 20 5 FEBDMO COc1cc(Cc2noc([C@@H]([NH3+])CC(F)F)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843225559 680993300 /nfs/dbraw/zinc/99/33/00/680993300.db2.gz LJTYXKNVJHYOEQ-VIFPVBQESA-N 1 1 358.301 2.241 20 5 FEBDMO CC(C)(O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCOCC1 ZINC000774904707 681248589 /nfs/dbraw/zinc/24/85/89/681248589.db2.gz JSVVCUSEKFYBMJ-UHFFFAOYSA-N 1 1 353.375 2.255 20 5 FEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)cc1 ZINC000776277632 681378592 /nfs/dbraw/zinc/37/85/92/681378592.db2.gz NVHVADGRJBBBDC-INIZCTEOSA-N 1 1 362.817 2.499 20 5 FEBDMO O=C1NCCN1CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000933587604 681438002 /nfs/dbraw/zinc/43/80/02/681438002.db2.gz ASPRKZSJTXWOIP-UHFFFAOYSA-N 1 1 352.822 2.485 20 5 FEBDMO CCC[N@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848581630 681582905 /nfs/dbraw/zinc/58/29/05/681582905.db2.gz BHSSNEZQRNQRFW-GFCCVEGCSA-N 1 1 357.357 2.415 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCC[N@H+]1CCCOCC1 ZINC000935550752 681773422 /nfs/dbraw/zinc/77/34/22/681773422.db2.gz IKAHIDLZTYUNAC-UHFFFAOYSA-N 1 1 355.822 2.019 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](Cc1cncs1)CC2 ZINC000957547327 681906547 /nfs/dbraw/zinc/90/65/47/681906547.db2.gz BBWVTPPEFNOCQQ-HUUCEWRRSA-N 1 1 364.471 2.013 20 5 FEBDMO CC[N@H+](Cc1ccsc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712959 681918961 /nfs/dbraw/zinc/91/89/61/681918961.db2.gz CDCWTPAXOCJHCC-HZPDHXFCSA-N 1 1 351.472 2.474 20 5 FEBDMO CC[N@@H+](Cc1ccsc1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957712959 681918963 /nfs/dbraw/zinc/91/89/63/681918963.db2.gz CDCWTPAXOCJHCC-HZPDHXFCSA-N 1 1 351.472 2.474 20 5 FEBDMO CC[N@H+](Cc1ccsc1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957712959 681918968 /nfs/dbraw/zinc/91/89/68/681918968.db2.gz CDCWTPAXOCJHCC-HZPDHXFCSA-N 1 1 351.472 2.474 20 5 FEBDMO COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000851921434 682185960 /nfs/dbraw/zinc/18/59/60/682185960.db2.gz RDKHZUBOWMDQGT-UHFFFAOYSA-N 1 1 351.334 2.018 20 5 FEBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000785728268 682320832 /nfs/dbraw/zinc/32/08/32/682320832.db2.gz FWSFFYSVBRHTMN-VXGBXAGGSA-N 1 1 350.371 2.377 20 5 FEBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000854183679 682522253 /nfs/dbraw/zinc/52/22/53/682522253.db2.gz AQOOQIQIXGUADF-ZDUSSCGKSA-N 1 1 368.821 2.311 20 5 FEBDMO C[C@@H](CN1CCOCC1)[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000788377686 682526157 /nfs/dbraw/zinc/52/61/57/682526157.db2.gz OENSASWKCBOSFG-LBPRGKRZSA-N 1 1 367.837 2.208 20 5 FEBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000788377686 682526160 /nfs/dbraw/zinc/52/61/60/682526160.db2.gz OENSASWKCBOSFG-LBPRGKRZSA-N 1 1 367.837 2.208 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000854352472 682541263 /nfs/dbraw/zinc/54/12/63/682541263.db2.gz DDESJOITGYDAAL-NSHDSACASA-N 1 1 373.240 2.021 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000854954555 682614042 /nfs/dbraw/zinc/61/40/42/682614042.db2.gz FTCVDCNLOXGPSQ-NEPJUHHUSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000854954555 682614045 /nfs/dbraw/zinc/61/40/45/682614045.db2.gz FTCVDCNLOXGPSQ-NEPJUHHUSA-N 1 1 355.822 2.084 20 5 FEBDMO COc1c(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000796707242 683187976 /nfs/dbraw/zinc/18/79/76/683187976.db2.gz BZHMHYAIQORVNK-ZDUSSCGKSA-N 1 1 352.387 2.117 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000928081019 683373512 /nfs/dbraw/zinc/37/35/12/683373512.db2.gz OFNSSPHTMYNQPF-JSGCOSHPSA-N 1 1 369.418 2.052 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000928081019 683373516 /nfs/dbraw/zinc/37/35/16/683373516.db2.gz OFNSSPHTMYNQPF-JSGCOSHPSA-N 1 1 369.418 2.052 20 5 FEBDMO C[C@@H]1[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928430958 683449956 /nfs/dbraw/zinc/44/99/56/683449956.db2.gz KHLLQHXXMKQBLT-BXKDBHETSA-N 1 1 356.220 2.109 20 5 FEBDMO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000922452423 683725769 /nfs/dbraw/zinc/72/57/69/683725769.db2.gz OODHKDHXABMASL-UHFFFAOYSA-N 1 1 369.468 2.338 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000930683992 683770233 /nfs/dbraw/zinc/77/02/33/683770233.db2.gz JPJHXOGPWHCBBS-UHFFFAOYSA-N 1 1 353.444 2.111 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000866866342 684170841 /nfs/dbraw/zinc/17/08/41/684170841.db2.gz NHYPETRKJCPWPK-AAEUAGOBSA-N 1 1 359.423 2.003 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000866985662 684191684 /nfs/dbraw/zinc/19/16/84/684191684.db2.gz KBRRPOSEHZSREH-TZMCWYRMSA-N 1 1 371.434 2.147 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1F ZINC000867308883 684244160 /nfs/dbraw/zinc/24/41/60/684244160.db2.gz NVSZHCBPWVHGNK-MRXNPFEDSA-N 1 1 371.434 2.149 20 5 FEBDMO COC1(OC)CCOC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000931675657 684326985 /nfs/dbraw/zinc/32/69/85/684326985.db2.gz ORHRGPMCDADEDU-ZDUSSCGKSA-N 1 1 364.320 2.481 20 5 FEBDMO C[NH+](C)C1(C)CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000867743374 684370315 /nfs/dbraw/zinc/37/03/15/684370315.db2.gz BNAYQWFQJRMMAO-UHFFFAOYSA-N 1 1 359.423 2.275 20 5 FEBDMO C[C@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872071477 684918115 /nfs/dbraw/zinc/91/81/15/684918115.db2.gz PWOXOEYLXMDKAP-NWDGAFQWSA-N 1 1 359.423 2.199 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000872661744 684999217 /nfs/dbraw/zinc/99/92/17/684999217.db2.gz BHHHHUDSARMZFY-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000872661744 684999221 /nfs/dbraw/zinc/99/92/21/684999221.db2.gz BHHHHUDSARMZFY-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000872663161 685000330 /nfs/dbraw/zinc/00/03/30/685000330.db2.gz JAXICSJSWDOPSV-CABCVRRESA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000872663161 685000332 /nfs/dbraw/zinc/00/03/32/685000332.db2.gz JAXICSJSWDOPSV-CABCVRRESA-N 1 1 353.444 2.014 20 5 FEBDMO COCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000879708236 686892625 /nfs/dbraw/zinc/89/26/25/686892625.db2.gz GXCQATJCFMLKLP-UHFFFAOYSA-N 1 1 371.821 2.314 20 5 FEBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880035447 686980807 /nfs/dbraw/zinc/98/08/07/686980807.db2.gz CAXGPRNZBDCTGV-GFCCVEGCSA-N 1 1 351.403 2.215 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880135178 687004269 /nfs/dbraw/zinc/00/42/69/687004269.db2.gz RFOLBWXHAACTFD-ZIAGYGMSSA-N 1 1 352.822 2.355 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000885454852 688076863 /nfs/dbraw/zinc/07/68/63/688076863.db2.gz BBAREIFBROSFHQ-KGLIPLIRSA-N 1 1 353.444 2.151 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CCCOCC1 ZINC000888283079 688577148 /nfs/dbraw/zinc/57/71/48/688577148.db2.gz HSVAZLFNQPHFFH-UHFFFAOYSA-N 1 1 356.810 2.400 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)n1C ZINC000900680845 690547025 /nfs/dbraw/zinc/54/70/25/690547025.db2.gz IRFOXVGPHDMICZ-UHFFFAOYSA-N 1 1 355.757 2.117 20 5 FEBDMO CC(C)N1CC[NH+](CCC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000901019402 690601010 /nfs/dbraw/zinc/60/10/10/690601010.db2.gz ZJCLRBRGFXJJHW-UHFFFAOYSA-N 1 1 368.865 2.281 20 5 FEBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907589606 691523464 /nfs/dbraw/zinc/52/34/64/691523464.db2.gz UONJHSAICDGNII-JTQLQIEISA-N 1 1 373.812 2.305 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907589606 691523467 /nfs/dbraw/zinc/52/34/67/691523467.db2.gz UONJHSAICDGNII-JTQLQIEISA-N 1 1 373.812 2.305 20 5 FEBDMO Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)ncc1[N+](=O)[O-] ZINC001164863155 721015976 /nfs/dbraw/zinc/01/59/76/721015976.db2.gz UBQCPHKFFBUIDY-ZDUSSCGKSA-N 1 1 359.434 2.311 20 5 FEBDMO Nc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164909329 721541637 /nfs/dbraw/zinc/54/16/37/721541637.db2.gz RMJSKYNZDCGVNW-DZGCQCFKSA-N 1 1 373.388 2.053 20 5 FEBDMO C[C@H](CC[NH+]1CCN(C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000472657775 887295828 /nfs/dbraw/zinc/29/58/28/887295828.db2.gz AMVBTLMPEDDOCW-CYBMUJFWSA-N 1 1 360.418 2.083 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000359872568 210194003 /nfs/dbraw/zinc/19/40/03/210194003.db2.gz OPYXUNYYBMUTKP-DLBZAZTESA-N 1 1 357.410 2.294 20 5 FEBDMO Cc1ccc([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000010090535 539512678 /nfs/dbraw/zinc/51/26/78/539512678.db2.gz XJVDCXPAUFOPOQ-QGZVFWFLSA-N 1 1 363.439 2.484 20 5 FEBDMO O=C(Cc1ccccc1[N+](=O)[O-])NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000023172110 539708581 /nfs/dbraw/zinc/70/85/81/539708581.db2.gz RZTLPLRUZTXVJP-UHFFFAOYSA-N 1 1 368.437 2.076 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(=O)NC(C)(C)C ZINC000026262624 539782041 /nfs/dbraw/zinc/78/20/41/539782041.db2.gz GVGWKAJSNJMKHL-UHFFFAOYSA-N 1 1 350.419 2.078 20 5 FEBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000028435440 539832561 /nfs/dbraw/zinc/83/25/61/539832561.db2.gz XMMKNRVPYKFIRI-UHFFFAOYSA-N 1 1 371.441 2.259 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032441006 539939574 /nfs/dbraw/zinc/93/95/74/539939574.db2.gz SJQWTFCGUUNRHB-QWHCGFSZSA-N 1 1 371.459 2.145 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000041669658 540030117 /nfs/dbraw/zinc/03/01/17/540030117.db2.gz CDMOPNWGUBNQIB-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041716711 540030857 /nfs/dbraw/zinc/03/08/57/540030857.db2.gz VTDIIKGPDHBOQS-UHFFFAOYSA-N 1 1 356.810 2.033 20 5 FEBDMO CCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000042685587 540073802 /nfs/dbraw/zinc/07/38/02/540073802.db2.gz PFKQIQBWXHRQLV-UHFFFAOYSA-N 1 1 363.414 2.200 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000043121994 540089953 /nfs/dbraw/zinc/08/99/53/540089953.db2.gz LBNXRBDUGDRSSY-OAHLLOKOSA-N 1 1 366.418 2.082 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000043821423 540110731 /nfs/dbraw/zinc/11/07/31/540110731.db2.gz OUFQMQYMUTXDEJ-INIZCTEOSA-N 1 1 364.446 2.093 20 5 FEBDMO CCOc1cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000046878845 540274997 /nfs/dbraw/zinc/27/49/97/540274997.db2.gz UQAKYURZJDPGER-ZDUSSCGKSA-N 1 1 365.430 2.464 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000047148628 540292472 /nfs/dbraw/zinc/29/24/72/540292472.db2.gz RVGBCMCXSPFEOD-GFCCVEGCSA-N 1 1 351.403 2.074 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000048314814 540356740 /nfs/dbraw/zinc/35/67/40/540356740.db2.gz JGNSIHGCXUIQEG-CQSZACIVSA-N 1 1 360.414 2.163 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000051001864 540419553 /nfs/dbraw/zinc/41/95/53/540419553.db2.gz YNKBEAQTQXDZBC-AWEZNQCLSA-N 1 1 362.430 2.080 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000051001864 540419554 /nfs/dbraw/zinc/41/95/54/540419554.db2.gz YNKBEAQTQXDZBC-AWEZNQCLSA-N 1 1 362.430 2.080 20 5 FEBDMO CNC(=O)c1ccc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000053555299 540543078 /nfs/dbraw/zinc/54/30/78/540543078.db2.gz CPHAJVIYKYJKPG-STQMWFEESA-N 1 1 364.446 2.254 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000057700860 540809330 /nfs/dbraw/zinc/80/93/30/540809330.db2.gz JIYFTFPKSLAEAS-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO C[NH+]1CCN([C@H](C(=O)NCc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000057913029 540823626 /nfs/dbraw/zinc/82/36/26/540823626.db2.gz FWIVPRRFMXMKGU-IBGZPJMESA-N 1 1 368.437 2.200 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000058561700 540848908 /nfs/dbraw/zinc/84/89/08/540848908.db2.gz KHLFLDCUYTZYTR-UHFFFAOYSA-N 1 1 361.851 2.321 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000063693875 541179149 /nfs/dbraw/zinc/17/91/49/541179149.db2.gz REWDCSMPYJEKRZ-CYBMUJFWSA-N 1 1 365.430 2.462 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000066001524 541277173 /nfs/dbraw/zinc/27/71/73/541277173.db2.gz MQYQQDZAVGAVLB-UHFFFAOYSA-N 1 1 355.441 2.067 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000066001524 541277176 /nfs/dbraw/zinc/27/71/76/541277176.db2.gz MQYQQDZAVGAVLB-UHFFFAOYSA-N 1 1 355.441 2.067 20 5 FEBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000066468249 541321885 /nfs/dbraw/zinc/32/18/85/541321885.db2.gz LOJASHSKAWINGH-UHFFFAOYSA-N 1 1 366.487 2.427 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066395964 541313564 /nfs/dbraw/zinc/31/35/64/541313564.db2.gz MXNVENMBQGHZCA-NFBGWVBBSA-N 1 1 359.426 2.320 20 5 FEBDMO CCS(=O)(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000066879840 541385677 /nfs/dbraw/zinc/38/56/77/541385677.db2.gz QXFJRAYTOOYASZ-UHFFFAOYSA-N 1 1 355.460 2.149 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067133873 541421853 /nfs/dbraw/zinc/42/18/53/541421853.db2.gz NMVSTSYRXQMMRI-CQSZACIVSA-N 1 1 372.429 2.170 20 5 FEBDMO COc1ccccc1[C@@H](CNC(=O)CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000068200414 541562306 /nfs/dbraw/zinc/56/23/06/541562306.db2.gz KCPOEGYZCLHALI-QGZVFWFLSA-N 1 1 372.425 2.434 20 5 FEBDMO COc1cc(OCC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000068790442 541628895 /nfs/dbraw/zinc/62/88/95/541628895.db2.gz QEWUYSTZZQESAU-KBPBESRZSA-N 1 1 365.430 2.361 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000068935510 541642120 /nfs/dbraw/zinc/64/21/20/541642120.db2.gz JGXDQLFENJVVDW-CQSZACIVSA-N 1 1 357.414 2.241 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000069045980 541652544 /nfs/dbraw/zinc/65/25/44/541652544.db2.gz KMVRXPDXPOEATO-ZDUSSCGKSA-N 1 1 353.394 2.349 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000551006937 674119689 /nfs/dbraw/zinc/11/96/89/674119689.db2.gz CIZUZHJWPYMODB-LLVKDONJSA-N 1 1 352.416 2.023 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000074138563 542042467 /nfs/dbraw/zinc/04/24/67/542042467.db2.gz YDIYXLASGPFCQZ-UHFFFAOYSA-N 1 1 368.865 2.252 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000074237115 542057339 /nfs/dbraw/zinc/05/73/39/542057339.db2.gz CXPUDGPDDWDKCD-UHFFFAOYSA-N 1 1 352.410 2.114 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000074237115 542057344 /nfs/dbraw/zinc/05/73/44/542057344.db2.gz CXPUDGPDDWDKCD-UHFFFAOYSA-N 1 1 352.410 2.114 20 5 FEBDMO CCC[N@H+]1CCCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000074290058 542064968 /nfs/dbraw/zinc/06/49/68/542064968.db2.gz COYHIKXUOPBDIP-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000075656586 542195820 /nfs/dbraw/zinc/19/58/20/542195820.db2.gz GEJJNWZPRPISEG-ZDUSSCGKSA-N 1 1 355.460 2.446 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000076329632 542261184 /nfs/dbraw/zinc/26/11/84/542261184.db2.gz FQNOYARBDBXPNO-HNNXBMFYSA-N 1 1 350.419 2.262 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078089156 542441128 /nfs/dbraw/zinc/44/11/28/542441128.db2.gz ONDWYKZZSATPEY-IBGZPJMESA-N 1 1 369.421 2.155 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078089156 542441132 /nfs/dbraw/zinc/44/11/32/542441132.db2.gz ONDWYKZZSATPEY-IBGZPJMESA-N 1 1 369.421 2.155 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081631812 542669247 /nfs/dbraw/zinc/66/92/47/542669247.db2.gz JOPYIKFLKYLQNI-INIZCTEOSA-N 1 1 372.469 2.148 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000085545547 542729074 /nfs/dbraw/zinc/72/90/74/542729074.db2.gz OZWRCJWFWWCMEB-HZPDHXFCSA-N 1 1 362.430 2.356 20 5 FEBDMO COc1cc(CN2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000093586545 542935175 /nfs/dbraw/zinc/93/51/75/542935175.db2.gz WOZGRTKPFLDGKU-UHFFFAOYSA-N 1 1 367.446 2.155 20 5 FEBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247439784 549333995 /nfs/dbraw/zinc/33/39/95/549333995.db2.gz WNOGLJFNWWAWGF-DOTOQJQBSA-N 1 1 374.441 2.023 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCN1c1cccnn1 ZINC000106086020 543193365 /nfs/dbraw/zinc/19/33/65/543193365.db2.gz QJFZYSVQLGSTFA-INIZCTEOSA-N 1 1 357.414 2.364 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891111 543252829 /nfs/dbraw/zinc/25/28/29/543252829.db2.gz SDPMXBFWOFXTQW-LLVKDONJSA-N 1 1 357.407 2.029 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891734 543253071 /nfs/dbraw/zinc/25/30/71/543253071.db2.gz OYPJUGYCFZZGIJ-ZDUSSCGKSA-N 1 1 353.444 2.198 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751218 543336013 /nfs/dbraw/zinc/33/60/13/543336013.db2.gz UONASYNDYQMCIK-SFHVURJKSA-N 1 1 362.474 2.076 20 5 FEBDMO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@H+]1CCC[C@@H](C)C1 ZINC000109986184 543345689 /nfs/dbraw/zinc/34/56/89/543345689.db2.gz MWKCHWVNIGDFBR-OLZOCXBDSA-N 1 1 372.425 2.287 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109966780 543345278 /nfs/dbraw/zinc/34/52/78/543345278.db2.gz XFUWIILZSMJUQK-QGZVFWFLSA-N 1 1 357.414 2.385 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000112914772 543467810 /nfs/dbraw/zinc/46/78/10/543467810.db2.gz XGOFYANNHDRBDI-INIZCTEOSA-N 1 1 368.865 2.250 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000113305916 543483791 /nfs/dbraw/zinc/48/37/91/543483791.db2.gz KEPYHBMIPFFWNH-JSGCOSHPSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000124407269 543819585 /nfs/dbraw/zinc/81/95/85/543819585.db2.gz OWVNHCURBOAARH-ZIAGYGMSSA-N 1 1 357.414 2.335 20 5 FEBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000125456681 543882398 /nfs/dbraw/zinc/88/23/98/543882398.db2.gz GFKNPQFTOAMHAE-INIZCTEOSA-N 1 1 371.441 2.313 20 5 FEBDMO CN1CC[NH+]([C@H]2CCCCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)CC1 ZINC000127049059 543970247 /nfs/dbraw/zinc/97/02/47/543970247.db2.gz JTAQMBMQAKTCHV-HNNXBMFYSA-N 1 1 363.418 2.109 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128847308 544076738 /nfs/dbraw/zinc/07/67/38/544076738.db2.gz UKBYTIJNLCKKLP-ZDUSSCGKSA-N 1 1 365.283 2.062 20 5 FEBDMO Cc1nccn1CCC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000130488466 544153205 /nfs/dbraw/zinc/15/32/05/544153205.db2.gz LXFSJRRBVDWABF-KRWDZBQOSA-N 1 1 357.414 2.227 20 5 FEBDMO CSc1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000133979423 544290237 /nfs/dbraw/zinc/29/02/37/544290237.db2.gz UTPIFIDQDSRTMK-CQSZACIVSA-N 1 1 367.471 2.283 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000134913994 544327069 /nfs/dbraw/zinc/32/70/69/544327069.db2.gz GZQVPKQFSQVAIT-HOCLYGCPSA-N 1 1 371.441 2.306 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452937 544347569 /nfs/dbraw/zinc/34/75/69/544347569.db2.gz WIDZTIIFAUBGKF-HZPDHXFCSA-N 1 1 358.398 2.070 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136070384 544366187 /nfs/dbraw/zinc/36/61/87/544366187.db2.gz COCLAZXLQVUUAB-CYBMUJFWSA-N 1 1 357.414 2.480 20 5 FEBDMO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136070384 544366189 /nfs/dbraw/zinc/36/61/89/544366189.db2.gz COCLAZXLQVUUAB-CYBMUJFWSA-N 1 1 357.414 2.480 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136070384 544366191 /nfs/dbraw/zinc/36/61/91/544366191.db2.gz COCLAZXLQVUUAB-CYBMUJFWSA-N 1 1 357.414 2.480 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137502606 544391160 /nfs/dbraw/zinc/39/11/60/544391160.db2.gz CPHDPUYWFPKIOT-DOMZBBRYSA-N 1 1 357.414 2.030 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000136892517 544380893 /nfs/dbraw/zinc/38/08/93/544380893.db2.gz YPRPXTLMYHZDCT-FQEVSTJZSA-N 1 1 371.437 2.325 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1C ZINC000146612277 544440278 /nfs/dbraw/zinc/44/02/78/544440278.db2.gz KXRXRRBKPVTGFO-CQSZACIVSA-N 1 1 353.444 2.070 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000146822982 544442261 /nfs/dbraw/zinc/44/22/61/544442261.db2.gz CWIZSBNPUNRIPL-VXGBXAGGSA-N 1 1 359.835 2.153 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000150791784 544472482 /nfs/dbraw/zinc/47/24/82/544472482.db2.gz PCIOPJQWRDBUGC-STQMWFEESA-N 1 1 371.459 2.002 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153048114 544727304 /nfs/dbraw/zinc/72/73/04/544727304.db2.gz PCRFFJRSWLJBGQ-FRRDWIJNSA-N 1 1 351.403 2.166 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153048114 544727308 /nfs/dbraw/zinc/72/73/08/544727308.db2.gz PCRFFJRSWLJBGQ-FRRDWIJNSA-N 1 1 351.403 2.166 20 5 FEBDMO O=C1NCCN1C1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000153071101 544730092 /nfs/dbraw/zinc/73/00/92/544730092.db2.gz LXFMDZHLEJRFQQ-UHFFFAOYSA-N 1 1 371.397 2.239 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152916337 544710645 /nfs/dbraw/zinc/71/06/45/544710645.db2.gz SPIXQLNHFIBVCX-HIFRSBDPSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1cc(NC(=O)N2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000153693826 544809984 /nfs/dbraw/zinc/80/99/84/544809984.db2.gz SYRPZJRXBWTIPQ-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000153931083 544842147 /nfs/dbraw/zinc/84/21/47/544842147.db2.gz HGMSTBBNAUWJBS-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000153931083 544842152 /nfs/dbraw/zinc/84/21/52/544842152.db2.gz HGMSTBBNAUWJBS-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO CNC(=O)c1ccc(Nc2ccc(N3CCOCC3)[nH+]c2C)c([N+](=O)[O-])c1 ZINC000154578817 544924121 /nfs/dbraw/zinc/92/41/21/544924121.db2.gz CWRFGSHITCFEKP-UHFFFAOYSA-N 1 1 371.397 2.238 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154873723 544960656 /nfs/dbraw/zinc/96/06/56/544960656.db2.gz WFWRAQWNYKGSMK-ZIAGYGMSSA-N 1 1 370.409 2.126 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154873723 544960660 /nfs/dbraw/zinc/96/06/60/544960660.db2.gz WFWRAQWNYKGSMK-ZIAGYGMSSA-N 1 1 370.409 2.126 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000183156032 327804728 /nfs/dbraw/zinc/80/47/28/327804728.db2.gz OSGGYGQLFMZKFR-UHFFFAOYSA-N 1 1 370.406 2.258 20 5 FEBDMO CCCNC(=O)C1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184229079 327857450 /nfs/dbraw/zinc/85/74/50/327857450.db2.gz OLYDZAGQORFGLJ-UHFFFAOYSA-N 1 1 353.394 2.481 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187118728 328003129 /nfs/dbraw/zinc/00/31/29/328003129.db2.gz GYNWWBIFKNPQKO-CQSZACIVSA-N 1 1 370.409 2.432 20 5 FEBDMO CSc1cccc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000187095158 328001993 /nfs/dbraw/zinc/00/19/93/328001993.db2.gz HHYQGEIREKUGDP-CYBMUJFWSA-N 1 1 366.487 2.073 20 5 FEBDMO CCC[C@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000187298131 328014418 /nfs/dbraw/zinc/01/44/18/328014418.db2.gz LDIVERKTEHIGPT-GOSISDBHSA-N 1 1 362.430 2.222 20 5 FEBDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000187298131 328014419 /nfs/dbraw/zinc/01/44/19/328014419.db2.gz LDIVERKTEHIGPT-GOSISDBHSA-N 1 1 362.430 2.222 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000188023906 328060951 /nfs/dbraw/zinc/06/09/51/328060951.db2.gz BSFQBLSDCBQJBX-SJKOYZFVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189276775 328138710 /nfs/dbraw/zinc/13/87/10/328138710.db2.gz JCWAGBWQBWIZIU-LRDDRELGSA-N 1 1 351.403 2.289 20 5 FEBDMO Cc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000190031421 328183722 /nfs/dbraw/zinc/18/37/22/328183722.db2.gz NOSVVJCCBVGNNN-ZDUSSCGKSA-N 1 1 350.419 2.212 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000191413973 328264583 /nfs/dbraw/zinc/26/45/83/328264583.db2.gz UKGXNPNYGAXQOB-OAHLLOKOSA-N 1 1 363.462 2.359 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000193105586 328357511 /nfs/dbraw/zinc/35/75/11/328357511.db2.gz SDHSGHFQWPWMNP-OLZOCXBDSA-N 1 1 371.459 2.002 20 5 FEBDMO CN(C)C(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000194607457 328431804 /nfs/dbraw/zinc/43/18/04/328431804.db2.gz TVLDDTOOFILINB-UHFFFAOYSA-N 1 1 350.375 2.193 20 5 FEBDMO CCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])C1 ZINC000081520571 325180174 /nfs/dbraw/zinc/18/01/74/325180174.db2.gz MPIGTBCOTJWLIT-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])C1 ZINC000081520571 325180176 /nfs/dbraw/zinc/18/01/76/325180176.db2.gz MPIGTBCOTJWLIT-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3C)CC2)[nH+]1 ZINC000116671206 326029583 /nfs/dbraw/zinc/02/95/83/326029583.db2.gz FBZPKTIPRRUQCP-UHFFFAOYSA-N 1 1 355.398 2.400 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117790595 326071175 /nfs/dbraw/zinc/07/11/75/326071175.db2.gz CNPQNEROZPSQSY-AWEZNQCLSA-N 1 1 355.822 2.018 20 5 FEBDMO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842887 326107714 /nfs/dbraw/zinc/10/77/14/326107714.db2.gz KVAHPRHGAYZBJG-GFCCVEGCSA-N 1 1 354.838 2.460 20 5 FEBDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000118859899 326108937 /nfs/dbraw/zinc/10/89/37/326108937.db2.gz MIEDGACNLRQITE-OAHLLOKOSA-N 1 1 372.429 2.246 20 5 FEBDMO CN(C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000118865970 326108986 /nfs/dbraw/zinc/10/89/86/326108986.db2.gz GSXSIHPOJJLPHH-AWEZNQCLSA-N 1 1 355.398 2.139 20 5 FEBDMO CN(C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000118865970 326108988 /nfs/dbraw/zinc/10/89/88/326108988.db2.gz GSXSIHPOJJLPHH-AWEZNQCLSA-N 1 1 355.398 2.139 20 5 FEBDMO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866005 326109681 /nfs/dbraw/zinc/10/96/81/326109681.db2.gz JUDSEWKKHGPAED-GJZGRUSLSA-N 1 1 361.446 2.123 20 5 FEBDMO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866005 326109683 /nfs/dbraw/zinc/10/96/83/326109683.db2.gz JUDSEWKKHGPAED-GJZGRUSLSA-N 1 1 361.446 2.123 20 5 FEBDMO CC(C)[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000119757131 326194759 /nfs/dbraw/zinc/19/47/59/326194759.db2.gz LEFGBFYHKYMLCE-HNNXBMFYSA-N 1 1 355.822 2.221 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000120838108 326292241 /nfs/dbraw/zinc/29/22/41/326292241.db2.gz WRITXYNANWEUBX-CQSZACIVSA-N 1 1 374.397 2.162 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120863552 326294374 /nfs/dbraw/zinc/29/43/74/326294374.db2.gz SNBPUIWIOPPKRE-DYVFJYSZSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1c(CC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000121886413 326373991 /nfs/dbraw/zinc/37/39/91/326373991.db2.gz ZFCOMQMGOVHXCT-CQSZACIVSA-N 1 1 361.442 2.157 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000122036902 326381801 /nfs/dbraw/zinc/38/18/01/326381801.db2.gz MHWFJRAGTVEMLC-UHFFFAOYSA-N 1 1 373.413 2.204 20 5 FEBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000134001872 326618224 /nfs/dbraw/zinc/61/82/24/326618224.db2.gz HOWFNPLZCPKVIJ-UHFFFAOYSA-N 1 1 360.345 2.486 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000137046944 326657664 /nfs/dbraw/zinc/65/76/64/326657664.db2.gz DADQLNJLFAOSQN-CYBMUJFWSA-N 1 1 367.833 2.433 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000162589675 327029166 /nfs/dbraw/zinc/02/91/66/327029166.db2.gz HPWSWLKDKHAUON-UHFFFAOYSA-N 1 1 363.462 2.393 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000162589675 327029167 /nfs/dbraw/zinc/02/91/67/327029167.db2.gz HPWSWLKDKHAUON-UHFFFAOYSA-N 1 1 363.462 2.393 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000162810456 327035224 /nfs/dbraw/zinc/03/52/24/327035224.db2.gz NEKRAJSTMGMFNC-CYBMUJFWSA-N 1 1 367.471 2.405 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171807089 327162612 /nfs/dbraw/zinc/16/26/12/327162612.db2.gz VNYRRHOQAXEQMQ-ZDUSSCGKSA-N 1 1 361.402 2.349 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172140795 327183475 /nfs/dbraw/zinc/18/34/75/327183475.db2.gz HHNTVWJBZDEGML-CYBMUJFWSA-N 1 1 350.419 2.087 20 5 FEBDMO C[NH+]1CCC(CNC(=O)c2ccccc2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000172755161 327217190 /nfs/dbraw/zinc/21/71/90/327217190.db2.gz GLQLNDOUGUDZGA-UHFFFAOYSA-N 1 1 360.458 2.275 20 5 FEBDMO COC(=O)c1cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000172832487 327221411 /nfs/dbraw/zinc/22/14/11/327221411.db2.gz JVFMUWBQAPNJLW-HNNXBMFYSA-N 1 1 363.414 2.328 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000173023144 327230962 /nfs/dbraw/zinc/23/09/62/327230962.db2.gz KMOHVTYGQLGCJN-SNVBAGLBSA-N 1 1 359.835 2.011 20 5 FEBDMO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000173208219 327241387 /nfs/dbraw/zinc/24/13/87/327241387.db2.gz TYRZRXJDARBJKQ-AWEZNQCLSA-N 1 1 370.409 2.432 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000173830094 327287401 /nfs/dbraw/zinc/28/74/01/327287401.db2.gz LGKKFYTUJMGATM-ZIAGYGMSSA-N 1 1 353.444 2.151 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174027424 327302461 /nfs/dbraw/zinc/30/24/61/327302461.db2.gz GQANGJZVLRHECZ-NSHDSACASA-N 1 1 361.851 2.211 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000175034391 327369630 /nfs/dbraw/zinc/36/96/30/327369630.db2.gz JPTKEIWYNHMEHL-ZIAGYGMSSA-N 1 1 363.414 2.067 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3ncccc3[N+](=O)[O-])c2)C1 ZINC000264459103 329025543 /nfs/dbraw/zinc/02/55/43/329025543.db2.gz JUHLLNLMYOCBTP-MRXNPFEDSA-N 1 1 369.425 2.299 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3ncccc3[N+](=O)[O-])c2)C1 ZINC000264459100 329025683 /nfs/dbraw/zinc/02/56/83/329025683.db2.gz JUHLLNLMYOCBTP-INIZCTEOSA-N 1 1 369.425 2.299 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CCC(=O)OC)C(C)C)c([N+](=O)[O-])c1 ZINC000265146191 329096196 /nfs/dbraw/zinc/09/61/96/329096196.db2.gz NGNUCYVWBOJWMK-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO CCCCC[N@@H+](CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265512231 329134711 /nfs/dbraw/zinc/13/47/11/329134711.db2.gz RHAYWWRKJMPSGL-UHFFFAOYSA-N 1 1 353.419 2.417 20 5 FEBDMO COc1ccc2cc(C[N@@H+](C)C[C@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000266454077 329224557 /nfs/dbraw/zinc/22/45/57/329224557.db2.gz OXORMEQHACCWTD-SFHVURJKSA-N 1 1 370.409 2.446 20 5 FEBDMO O=C(NCC[N@@H+]1CCCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000275858444 330097034 /nfs/dbraw/zinc/09/70/34/330097034.db2.gz NNOREMYQHUFJBH-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO O=C(NCC[N@H+]1CCCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000275858444 330097036 /nfs/dbraw/zinc/09/70/36/330097036.db2.gz NNOREMYQHUFJBH-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000367108846 330217977 /nfs/dbraw/zinc/21/79/77/330217977.db2.gz GQXNOKXMGJBNDE-QWHCGFSZSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000367108846 330217979 /nfs/dbraw/zinc/21/79/79/330217979.db2.gz GQXNOKXMGJBNDE-QWHCGFSZSA-N 1 1 353.806 2.231 20 5 FEBDMO CC(=O)c1ccc(N2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000367199956 330229231 /nfs/dbraw/zinc/22/92/31/330229231.db2.gz FOEQURCXUXNGAB-YOEHRIQHSA-N 1 1 360.458 2.260 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000411390703 330257298 /nfs/dbraw/zinc/25/72/98/330257298.db2.gz ARCOFNQLPFOQIT-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000804693229 674297583 /nfs/dbraw/zinc/29/75/83/674297583.db2.gz SNFFIOMXOKXYHF-ZDUSSCGKSA-N 1 1 350.375 2.052 20 5 FEBDMO C[NH+](C)CCn1ccc(=NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[nH]1 ZINC000499052014 538869260 /nfs/dbraw/zinc/86/92/60/538869260.db2.gz HXFFVYKIQXRKOS-UHFFFAOYSA-N 1 1 372.429 2.205 20 5 FEBDMO C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156547869 545635029 /nfs/dbraw/zinc/63/50/29/545635029.db2.gz SGAHHYFCFUHKHK-ZVZYQTTQSA-N 1 1 360.414 2.114 20 5 FEBDMO COc1ccc(CSCC(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000477634404 561149917 /nfs/dbraw/zinc/14/99/17/561149917.db2.gz IIJLOKMKSYJEDH-UHFFFAOYSA-N 1 1 365.455 2.215 20 5 FEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000477633355 561149923 /nfs/dbraw/zinc/14/99/23/561149923.db2.gz LNWXTTWKVHRXOE-UHFFFAOYSA-N 1 1 354.204 2.349 20 5 FEBDMO COc1ccc(C[NH2+]Cc2cccc(N3CCOCC3)n2)cc1[N+](=O)[O-] ZINC000479611444 561193395 /nfs/dbraw/zinc/19/33/95/561193395.db2.gz HJJAKHFFMYMESP-UHFFFAOYSA-N 1 1 358.398 2.125 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000175788238 546350541 /nfs/dbraw/zinc/35/05/41/546350541.db2.gz OTZBDIAWBUCOLA-HNNXBMFYSA-N 1 1 370.409 2.290 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1cccc(Cl)c1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000176484341 546452737 /nfs/dbraw/zinc/45/27/37/546452737.db2.gz ITYGXUMIUVXINQ-OAHLLOKOSA-N 1 1 368.865 2.250 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176490027 546453737 /nfs/dbraw/zinc/45/37/37/546453737.db2.gz JFWMKWNTLXBGPR-UHFFFAOYSA-N 1 1 368.865 2.346 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176490027 546453740 /nfs/dbraw/zinc/45/37/40/546453740.db2.gz JFWMKWNTLXBGPR-UHFFFAOYSA-N 1 1 368.865 2.346 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[N@H+]1C1CC1 ZINC000177142607 546553110 /nfs/dbraw/zinc/55/31/10/546553110.db2.gz KTDXFAVYKSMJFE-OLZOCXBDSA-N 1 1 355.398 2.136 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000480946807 561220795 /nfs/dbraw/zinc/22/07/95/561220795.db2.gz BXBBNOFNBBCXKD-ZDUSSCGKSA-N 1 1 355.460 2.364 20 5 FEBDMO COC(=O)c1cc(NCC[N@@H+]2CCOCC2(C)C)cc(C)c1[N+](=O)[O-] ZINC000177824862 546692418 /nfs/dbraw/zinc/69/24/18/546692418.db2.gz HHUIXDWWTYJFKF-UHFFFAOYSA-N 1 1 351.403 2.213 20 5 FEBDMO COC(=O)c1cc(NCC[N@H+]2CCOCC2(C)C)cc(C)c1[N+](=O)[O-] ZINC000177824862 546692421 /nfs/dbraw/zinc/69/24/21/546692421.db2.gz HHUIXDWWTYJFKF-UHFFFAOYSA-N 1 1 351.403 2.213 20 5 FEBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCC[C@@H]1O ZINC000481357930 561231462 /nfs/dbraw/zinc/23/14/62/561231462.db2.gz HDPXDMUSPLKSNS-BBRMVZONSA-N 1 1 363.414 2.376 20 5 FEBDMO COc1cc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000179912975 547027999 /nfs/dbraw/zinc/02/79/99/547027999.db2.gz XNVAUTBEAGEEEJ-UHFFFAOYSA-N 1 1 363.414 2.103 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1Cc1ccccc1 ZINC000180582677 547135821 /nfs/dbraw/zinc/13/58/21/547135821.db2.gz SWMKGGBHGAPCJF-DZGCQCFKSA-N 1 1 369.425 2.355 20 5 FEBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000181279678 547284708 /nfs/dbraw/zinc/28/47/08/547284708.db2.gz AZEXFILUYIOLLM-AWEZNQCLSA-N 1 1 361.398 2.318 20 5 FEBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000181349608 547299016 /nfs/dbraw/zinc/29/90/16/547299016.db2.gz ZBNNRJIMPBSJKM-DOMZBBRYSA-N 1 1 373.409 2.412 20 5 FEBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277040 561272833 /nfs/dbraw/zinc/27/28/33/561272833.db2.gz IMHLIZNBIYTTFS-BBRMVZONSA-N 1 1 361.398 2.264 20 5 FEBDMO Cc1ccc(C[N@@H+](CCO)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000181989266 547418894 /nfs/dbraw/zinc/41/88/94/547418894.db2.gz LUADLRAKYYYYPG-UHFFFAOYSA-N 1 1 357.410 2.361 20 5 FEBDMO Cc1ccc(C[N@H+](CCO)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000181989266 547418895 /nfs/dbraw/zinc/41/88/95/547418895.db2.gz LUADLRAKYYYYPG-UHFFFAOYSA-N 1 1 357.410 2.361 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000183272670 547630157 /nfs/dbraw/zinc/63/01/57/547630157.db2.gz JCEPVLNZGRCNCS-OAHLLOKOSA-N 1 1 355.460 2.197 20 5 FEBDMO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1F ZINC000183341734 547641550 /nfs/dbraw/zinc/64/15/50/547641550.db2.gz IAKOCUKNMVNGLD-DZGCQCFKSA-N 1 1 367.421 2.191 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183567666 547682527 /nfs/dbraw/zinc/68/25/27/547682527.db2.gz SBADKYXGSGFNMQ-ZFWWWQNUSA-N 1 1 370.413 2.417 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000183749055 547712500 /nfs/dbraw/zinc/71/25/00/547712500.db2.gz TWXQFRLEVVVMFD-GFCCVEGCSA-N 1 1 371.846 2.191 20 5 FEBDMO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000484637560 561301845 /nfs/dbraw/zinc/30/18/45/561301845.db2.gz VTSUCKGWXLWNAK-TUKIKUTGSA-N 1 1 362.386 2.489 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000484897802 561308146 /nfs/dbraw/zinc/30/81/46/561308146.db2.gz AGGAEHOWFNXJSN-INMHGKMJSA-N 1 1 352.431 2.472 20 5 FEBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000485074779 561312031 /nfs/dbraw/zinc/31/20/31/561312031.db2.gz DNHSLZKPROHKQP-OAHLLOKOSA-N 1 1 369.377 2.328 20 5 FEBDMO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nnnn1-c1ccccc1 ZINC000184830858 547884289 /nfs/dbraw/zinc/88/42/89/547884289.db2.gz DXASRRBZVVNNHH-CYBMUJFWSA-N 1 1 354.370 2.300 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000485941606 561332895 /nfs/dbraw/zinc/33/28/95/561332895.db2.gz BKCSXPVSHUDZFG-GFCCVEGCSA-N 1 1 365.455 2.300 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000186860149 548207729 /nfs/dbraw/zinc/20/77/29/548207729.db2.gz TWHHAQVAMJMOFR-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1CC(C)(C)O ZINC000186860149 548207732 /nfs/dbraw/zinc/20/77/32/548207732.db2.gz TWHHAQVAMJMOFR-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000186883489 548211736 /nfs/dbraw/zinc/21/17/36/548211736.db2.gz AMSUWNVUNNQRAF-GFCCVEGCSA-N 1 1 369.849 2.094 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000186924724 548220829 /nfs/dbraw/zinc/22/08/29/548220829.db2.gz KBQSZIIIMHKRRL-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO COc1cccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000193922429 548407425 /nfs/dbraw/zinc/40/74/25/548407425.db2.gz YPKRAXSIBHLVFC-CHWSQXEVSA-N 1 1 365.430 2.221 20 5 FEBDMO C[C@H](C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000194758552 548528372 /nfs/dbraw/zinc/52/83/72/548528372.db2.gz DUDPCPSURGJWMX-MJBXVCDLSA-N 1 1 367.421 2.405 20 5 FEBDMO C[C@H](C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000194758552 548528378 /nfs/dbraw/zinc/52/83/78/548528378.db2.gz DUDPCPSURGJWMX-MJBXVCDLSA-N 1 1 367.421 2.405 20 5 FEBDMO C[C@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1n1ccnc1 ZINC000245686944 548975257 /nfs/dbraw/zinc/97/52/57/548975257.db2.gz PTDMCJOSZCHPPT-KBXCAEBGSA-N 1 1 369.425 2.264 20 5 FEBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1n1ccnc1 ZINC000245686944 548975262 /nfs/dbraw/zinc/97/52/62/548975262.db2.gz PTDMCJOSZCHPPT-KBXCAEBGSA-N 1 1 369.425 2.264 20 5 FEBDMO C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000246130852 549059922 /nfs/dbraw/zinc/05/99/22/549059922.db2.gz IZDZFCFWAXHNOM-GDBMZVCRSA-N 1 1 369.425 2.353 20 5 FEBDMO C[C@@H](NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000246130852 549059924 /nfs/dbraw/zinc/05/99/24/549059924.db2.gz IZDZFCFWAXHNOM-GDBMZVCRSA-N 1 1 369.425 2.353 20 5 FEBDMO CCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246143198 549061595 /nfs/dbraw/zinc/06/15/95/549061595.db2.gz GLWVLLFJUUGIMJ-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246143198 549061598 /nfs/dbraw/zinc/06/15/98/549061598.db2.gz GLWVLLFJUUGIMJ-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000246719427 549195693 /nfs/dbraw/zinc/19/56/93/549195693.db2.gz KGVADHMQVPDBQZ-GJZGRUSLSA-N 1 1 374.441 2.175 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246767241 549208043 /nfs/dbraw/zinc/20/80/43/549208043.db2.gz LUHUEZHOGXYTCS-MAUKXSAKSA-N 1 1 363.458 2.391 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000246863006 549231618 /nfs/dbraw/zinc/23/16/18/549231618.db2.gz FQSRVTVLFDPYED-SJORKVTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000246863006 549231621 /nfs/dbraw/zinc/23/16/21/549231621.db2.gz FQSRVTVLFDPYED-SJORKVTESA-N 1 1 363.414 2.112 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000246890506 549236815 /nfs/dbraw/zinc/23/68/15/549236815.db2.gz MANYGCVNZMMOLW-JLSDUUJJSA-N 1 1 358.442 2.116 20 5 FEBDMO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247315914 549316214 /nfs/dbraw/zinc/31/62/14/549316214.db2.gz RRCYKHQFGYOPAK-RHSMWYFYSA-N 1 1 357.414 2.337 20 5 FEBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247315914 549316217 /nfs/dbraw/zinc/31/62/17/549316217.db2.gz RRCYKHQFGYOPAK-RHSMWYFYSA-N 1 1 357.414 2.337 20 5 FEBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247685061 549371333 /nfs/dbraw/zinc/37/13/33/549371333.db2.gz UWHNJXJAIKOOTA-BODMPHMZSA-N 1 1 360.414 2.003 20 5 FEBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247685061 549371336 /nfs/dbraw/zinc/37/13/36/549371336.db2.gz UWHNJXJAIKOOTA-BODMPHMZSA-N 1 1 360.414 2.003 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000489309949 561407692 /nfs/dbraw/zinc/40/76/92/561407692.db2.gz BMQLLNCTWGHKPH-MRXNPFEDSA-N 1 1 372.425 2.320 20 5 FEBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000248452841 549440803 /nfs/dbraw/zinc/44/08/03/549440803.db2.gz JUQJNNLSBQFNIE-HLLBOEOZSA-N 1 1 360.414 2.114 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCO[C@H]1C ZINC000489395452 561409823 /nfs/dbraw/zinc/40/98/23/561409823.db2.gz CTWVZFUNRSBULI-WMLDXEAASA-N 1 1 365.430 2.358 20 5 FEBDMO C[C@@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000248548910 549456161 /nfs/dbraw/zinc/45/61/61/549456161.db2.gz FTAFYWRLRYWXIQ-HZSPNIEDSA-N 1 1 367.421 2.453 20 5 FEBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248717412 549489331 /nfs/dbraw/zinc/48/93/31/549489331.db2.gz GLCPTFWGHBLTBZ-DLBZAZTESA-N 1 1 361.423 2.319 20 5 FEBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248717412 549489335 /nfs/dbraw/zinc/48/93/35/549489335.db2.gz GLCPTFWGHBLTBZ-DLBZAZTESA-N 1 1 361.423 2.319 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000489802842 561419372 /nfs/dbraw/zinc/41/93/72/561419372.db2.gz SULCTPKTJOKQJZ-CYBMUJFWSA-N 1 1 361.398 2.127 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000250706843 549643552 /nfs/dbraw/zinc/64/35/52/549643552.db2.gz ZTYJAKLJENDVCX-OCCSQVGLSA-N 1 1 362.430 2.078 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000252656436 549675799 /nfs/dbraw/zinc/67/57/99/549675799.db2.gz GJSCUXJNEYMIQI-HOTGVXAUSA-N 1 1 369.425 2.337 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263655691 549914436 /nfs/dbraw/zinc/91/44/36/549914436.db2.gz IGMBMIRIQWNXFZ-NSHDSACASA-N 1 1 369.805 2.272 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263655691 549914437 /nfs/dbraw/zinc/91/44/37/549914437.db2.gz IGMBMIRIQWNXFZ-NSHDSACASA-N 1 1 369.805 2.272 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000263978706 549962770 /nfs/dbraw/zinc/96/27/70/549962770.db2.gz AJXMZKJMOACFQG-CYBMUJFWSA-N 1 1 351.407 2.189 20 5 FEBDMO C[C@@H](c1cccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1)[NH+]1CCOCC1 ZINC000264068683 549975062 /nfs/dbraw/zinc/97/50/62/549975062.db2.gz FZRQJYILQCXYGQ-LBPRGKRZSA-N 1 1 371.397 2.226 20 5 FEBDMO COC(=O)c1cc(NC2CC[NH+](CCN(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC000268486356 550074816 /nfs/dbraw/zinc/07/48/16/550074816.db2.gz MSBUSIZOVRGYNE-UHFFFAOYSA-N 1 1 364.446 2.128 20 5 FEBDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000269135630 550158907 /nfs/dbraw/zinc/15/89/07/550158907.db2.gz JXUDVOWENYJMFX-UHFFFAOYSA-N 1 1 359.430 2.453 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000269666078 550215194 /nfs/dbraw/zinc/21/51/94/550215194.db2.gz JLEGGPSEQZZORW-HIFRSBDPSA-N 1 1 364.446 2.475 20 5 FEBDMO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000494039911 561461180 /nfs/dbraw/zinc/46/11/80/561461180.db2.gz VZWHJVJZYUAASD-DOMZBBRYSA-N 1 1 356.382 2.088 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])c1 ZINC000271181169 550349730 /nfs/dbraw/zinc/34/97/30/550349730.db2.gz HPCXLHGUPABKKM-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(C)CCCO)c([N+](=O)[O-])c1 ZINC000271181169 550349733 /nfs/dbraw/zinc/34/97/33/550349733.db2.gz HPCXLHGUPABKKM-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272220899 550429181 /nfs/dbraw/zinc/42/91/81/550429181.db2.gz KPIAGJBTYIUIAX-UHFFFAOYSA-N 1 1 360.399 2.315 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272386012 550443288 /nfs/dbraw/zinc/44/32/88/550443288.db2.gz IKOQXAYRNNRPQT-SMDDNHRTSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272386012 550443289 /nfs/dbraw/zinc/44/32/89/550443289.db2.gz IKOQXAYRNNRPQT-SMDDNHRTSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272410103 550445301 /nfs/dbraw/zinc/44/53/01/550445301.db2.gz CBHVFQDPMDSCOA-AAEUAGOBSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272410103 550445302 /nfs/dbraw/zinc/44/53/02/550445302.db2.gz CBHVFQDPMDSCOA-AAEUAGOBSA-N 1 1 373.862 2.271 20 5 FEBDMO COc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000272833478 550472700 /nfs/dbraw/zinc/47/27/00/550472700.db2.gz NICOWUQKGUWYGI-HNNXBMFYSA-N 1 1 366.418 2.082 20 5 FEBDMO Cc1nn(CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1[N+](=O)[O-] ZINC000273104561 550485227 /nfs/dbraw/zinc/48/52/27/550485227.db2.gz LRSQANRQFSTWBE-UHFFFAOYSA-N 1 1 371.441 2.143 20 5 FEBDMO CC1([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)OCCO1 ZINC000273130656 550486362 /nfs/dbraw/zinc/48/63/62/550486362.db2.gz SWLFLQRPMSTXCS-HNNXBMFYSA-N 1 1 364.398 2.436 20 5 FEBDMO COC(=O)C1=NOC2(C1)CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000274633247 550546966 /nfs/dbraw/zinc/54/69/66/550546966.db2.gz WRHXPJAATWMGOY-UHFFFAOYSA-N 1 1 374.353 2.020 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCO1 ZINC000277753448 550710096 /nfs/dbraw/zinc/71/00/96/550710096.db2.gz YWKAPPDTIFQJIB-ZDUSSCGKSA-N 1 1 360.414 2.307 20 5 FEBDMO C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754031 550710210 /nfs/dbraw/zinc/71/02/10/550710210.db2.gz RTRQPFSODYBJMU-CABCVRRESA-N 1 1 364.446 2.456 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000278278278 550768185 /nfs/dbraw/zinc/76/81/85/550768185.db2.gz AERUUOISHUMFSC-NFBGWVBBSA-N 1 1 359.426 2.320 20 5 FEBDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000278417993 550783650 /nfs/dbraw/zinc/78/36/50/550783650.db2.gz YVQKIEMYBMQYLQ-SWLSCSKDSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000278417993 550783652 /nfs/dbraw/zinc/78/36/52/550783652.db2.gz YVQKIEMYBMQYLQ-SWLSCSKDSA-N 1 1 358.822 2.094 20 5 FEBDMO Cc1cc([N+](=O)[O-])cn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1=O ZINC000278518632 550794601 /nfs/dbraw/zinc/79/46/01/550794601.db2.gz GCIWXYXJBOLCOW-GOSISDBHSA-N 1 1 357.410 2.356 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799878 550823561 /nfs/dbraw/zinc/82/35/61/550823561.db2.gz XOQSTOYLTMVSHF-WBMJQRKESA-N 1 1 372.429 2.097 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000278855807 550829567 /nfs/dbraw/zinc/82/95/67/550829567.db2.gz MNXGWTHIWUZFCQ-LFAOLKIESA-N 1 1 359.426 2.320 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000279380193 550883558 /nfs/dbraw/zinc/88/35/58/550883558.db2.gz UECWYSFZFQWVQU-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000279380193 550883560 /nfs/dbraw/zinc/88/35/60/550883560.db2.gz UECWYSFZFQWVQU-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1(CCO)CCOCC1 ZINC000495449209 561488076 /nfs/dbraw/zinc/48/80/76/561488076.db2.gz BDBXQTIDEWNLPU-UHFFFAOYSA-N 1 1 362.386 2.008 20 5 FEBDMO C[C@@H](CN1CCOCC1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279833404 550933962 /nfs/dbraw/zinc/93/39/62/550933962.db2.gz ZUAQYFTXKHMSGT-AWEZNQCLSA-N 1 1 360.414 2.402 20 5 FEBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279833404 550933963 /nfs/dbraw/zinc/93/39/63/550933963.db2.gz ZUAQYFTXKHMSGT-AWEZNQCLSA-N 1 1 360.414 2.402 20 5 FEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000279941333 550945117 /nfs/dbraw/zinc/94/51/17/550945117.db2.gz HPVASUPTWONNSE-UHFFFAOYSA-N 1 1 354.204 2.349 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280246431 550974302 /nfs/dbraw/zinc/97/43/02/550974302.db2.gz BGSMMIDVZRAQRN-KDOFPFPSSA-N 1 1 363.414 2.112 20 5 FEBDMO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000280630128 551015068 /nfs/dbraw/zinc/01/50/68/551015068.db2.gz XHNAUNJSRPOZHJ-QGZVFWFLSA-N 1 1 365.386 2.153 20 5 FEBDMO CO[C@]1(C)CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000280630128 551015069 /nfs/dbraw/zinc/01/50/69/551015069.db2.gz XHNAUNJSRPOZHJ-QGZVFWFLSA-N 1 1 365.386 2.153 20 5 FEBDMO Nc1ccc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000280702305 551023118 /nfs/dbraw/zinc/02/31/18/551023118.db2.gz WXAPQLAJVWPJQS-CALCHBBNSA-N 1 1 366.421 2.381 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497957990 561512341 /nfs/dbraw/zinc/51/23/41/561512341.db2.gz GGARNHZXIAUNIA-ZFWWWQNUSA-N 1 1 370.409 2.336 20 5 FEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000285056730 551698010 /nfs/dbraw/zinc/69/80/10/551698010.db2.gz DEJRMUKCAHBWHC-UHFFFAOYSA-N 1 1 365.814 2.104 20 5 FEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000285056730 551698011 /nfs/dbraw/zinc/69/80/11/551698011.db2.gz DEJRMUKCAHBWHC-UHFFFAOYSA-N 1 1 365.814 2.104 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000285324505 551738166 /nfs/dbraw/zinc/73/81/66/551738166.db2.gz NJNBGWZWIGBJDH-GOSISDBHSA-N 1 1 363.414 2.113 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285330845 551739379 /nfs/dbraw/zinc/73/93/79/551739379.db2.gz SEVCTGAXZSJFPN-DLBZAZTESA-N 1 1 361.442 2.437 20 5 FEBDMO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285394600 551749132 /nfs/dbraw/zinc/74/91/32/551749132.db2.gz AKXRLSLZFMCKFY-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285394600 551749135 /nfs/dbraw/zinc/74/91/35/551749135.db2.gz AKXRLSLZFMCKFY-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H](C)[S@]1=O ZINC000285428177 551755124 /nfs/dbraw/zinc/75/51/24/551755124.db2.gz CFXZHDKUIJBLEP-FTTUWVIBSA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H](C)[S@]1=O ZINC000285428177 551755125 /nfs/dbraw/zinc/75/51/25/551755125.db2.gz CFXZHDKUIJBLEP-FTTUWVIBSA-N 1 1 367.471 2.463 20 5 FEBDMO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285492925 551764984 /nfs/dbraw/zinc/76/49/84/551764984.db2.gz MCZJQLNMTRFALL-FKEKPDDDSA-N 1 1 358.442 2.041 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000285550067 551773550 /nfs/dbraw/zinc/77/35/50/551773550.db2.gz IRIKXBYUEXNAFG-PBWFPOADSA-N 1 1 353.444 2.149 20 5 FEBDMO CCOc1ccc(NC(=O)CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000498928053 561538317 /nfs/dbraw/zinc/53/83/17/561538317.db2.gz HUKGHZMKDQKOHO-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000286190135 551859269 /nfs/dbraw/zinc/85/92/69/551859269.db2.gz AZYOFSNLECFUKI-MRXNPFEDSA-N 1 1 373.482 2.448 20 5 FEBDMO COc1cccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1[N+](=O)[O-] ZINC000286288769 551870249 /nfs/dbraw/zinc/87/02/49/551870249.db2.gz HKHKNMWTOCIBIG-AGUYFDCRSA-N 1 1 362.430 2.099 20 5 FEBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCC(=O)Nc4cc([N+](=O)[O-])ccc4F)[C@H]1[C@H]3C2 ZINC000286398700 551883247 /nfs/dbraw/zinc/88/32/47/551883247.db2.gz HGUNLIYIFSLEPQ-RRGUEFANSA-N 1 1 363.389 2.418 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000288011285 552074575 /nfs/dbraw/zinc/07/45/75/552074575.db2.gz BMCHHIZYTICRNB-UHFFFAOYSA-N 1 1 373.461 2.139 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000288823518 552219295 /nfs/dbraw/zinc/21/92/95/552219295.db2.gz IJERFZIRCGTCTO-IAGOWNOFSA-N 1 1 373.457 2.415 20 5 FEBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(c3ccccc3[N+](=O)[O-])CC1)C2 ZINC000289342123 552304479 /nfs/dbraw/zinc/30/44/79/552304479.db2.gz JNAPSLQUZWDOQX-HNNXBMFYSA-N 1 1 369.425 2.011 20 5 FEBDMO CN(C)c1cc(NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)cc[nH+]1 ZINC000500409852 561572138 /nfs/dbraw/zinc/57/21/38/561572138.db2.gz JMQGITXVWBEAQL-UHFFFAOYSA-N 1 1 352.354 2.494 20 5 FEBDMO CCC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500479193 561574466 /nfs/dbraw/zinc/57/44/66/561574466.db2.gz NOCWDJLCKQKUKS-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000289786224 552378305 /nfs/dbraw/zinc/37/83/05/552378305.db2.gz MGQDWFVMXOYFLO-CYBMUJFWSA-N 1 1 350.419 2.247 20 5 FEBDMO CN(C(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291889564 552671970 /nfs/dbraw/zinc/67/19/70/552671970.db2.gz QPZOEGMSSHQWGC-FQEVSTJZSA-N 1 1 369.421 2.194 20 5 FEBDMO CN(C(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291889564 552671972 /nfs/dbraw/zinc/67/19/72/552671972.db2.gz QPZOEGMSSHQWGC-FQEVSTJZSA-N 1 1 369.421 2.194 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1SC ZINC000292382701 552721795 /nfs/dbraw/zinc/72/17/95/552721795.db2.gz XMLSGKGVHFNDKE-QGZVFWFLSA-N 1 1 365.455 2.493 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292827939 552762217 /nfs/dbraw/zinc/76/22/17/552762217.db2.gz OPCWDMVEIQERAU-MRXNPFEDSA-N 1 1 353.444 2.010 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC4(CC3)OCCCO4)n2)cc1 ZINC000292900920 552769536 /nfs/dbraw/zinc/76/95/36/552769536.db2.gz DQBWHGRWWRLPPD-UHFFFAOYSA-N 1 1 360.370 2.374 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000501622853 561602339 /nfs/dbraw/zinc/60/23/39/561602339.db2.gz VFGHXQOLMGOJCA-STQMWFEESA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000501622853 561602340 /nfs/dbraw/zinc/60/23/40/561602340.db2.gz VFGHXQOLMGOJCA-STQMWFEESA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000501622853 561602341 /nfs/dbraw/zinc/60/23/41/561602341.db2.gz VFGHXQOLMGOJCA-STQMWFEESA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000501622853 561602342 /nfs/dbraw/zinc/60/23/42/561602342.db2.gz VFGHXQOLMGOJCA-STQMWFEESA-N 1 1 357.414 2.361 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293501374 552830374 /nfs/dbraw/zinc/83/03/74/552830374.db2.gz XFPBBHQXEARCQT-IBGZPJMESA-N 1 1 374.441 2.040 20 5 FEBDMO CC1(C)OCC(CO)([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CO1 ZINC000294044969 552877785 /nfs/dbraw/zinc/87/77/85/552877785.db2.gz IWYXQROMFGAHER-UHFFFAOYSA-N 1 1 364.320 2.217 20 5 FEBDMO Cc1nn([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128301 552884153 /nfs/dbraw/zinc/88/41/53/552884153.db2.gz FGKPFKIRRLLXEF-GDBMZVCRSA-N 1 1 357.414 2.051 20 5 FEBDMO CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000294927196 552944851 /nfs/dbraw/zinc/94/48/51/552944851.db2.gz BHXZWITXYMBLOR-JTQLQIEISA-N 1 1 370.258 2.319 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc1SC ZINC000295209666 552970186 /nfs/dbraw/zinc/97/01/86/552970186.db2.gz LHLUCDINUPTXIH-OAHLLOKOSA-N 1 1 357.407 2.099 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000295969264 553083061 /nfs/dbraw/zinc/08/30/61/553083061.db2.gz VPPJIOQUOUGRIM-NSHDSACASA-N 1 1 355.822 2.255 20 5 FEBDMO Cc1cc(F)c(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000296933573 553231571 /nfs/dbraw/zinc/23/15/71/553231571.db2.gz ZZJUPMSMWFTSOS-LLVKDONJSA-N 1 1 354.382 2.132 20 5 FEBDMO C[N@H+]1CCCN(c2ccc(-c3noc(CCC(C)(C)[N+](=O)[O-])n3)cn2)CC1 ZINC000297154114 553256646 /nfs/dbraw/zinc/25/66/46/553256646.db2.gz BANVMFBENOQMBU-UHFFFAOYSA-N 1 1 374.445 2.261 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000298035816 553374757 /nfs/dbraw/zinc/37/47/57/553374757.db2.gz GBTNVOBEGMYYEX-UHFFFAOYSA-N 1 1 368.821 2.129 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000298981868 553498675 /nfs/dbraw/zinc/49/86/75/553498675.db2.gz HLXYHVPFYFBCHK-LSDHHAIUSA-N 1 1 355.398 2.137 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299038539 553506964 /nfs/dbraw/zinc/50/69/64/553506964.db2.gz FUAPRAMLTIFZOE-UHFFFAOYSA-N 1 1 373.457 2.174 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299038539 553506966 /nfs/dbraw/zinc/50/69/66/553506966.db2.gz FUAPRAMLTIFZOE-UHFFFAOYSA-N 1 1 373.457 2.174 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000299343045 553550856 /nfs/dbraw/zinc/55/08/56/553550856.db2.gz OVMFOOOKWYCTPD-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000299515906 553574310 /nfs/dbraw/zinc/57/43/10/553574310.db2.gz COONPYMJWXXOKR-OAHLLOKOSA-N 1 1 353.419 2.271 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000299552671 553579906 /nfs/dbraw/zinc/57/99/06/553579906.db2.gz GEFUBDRGEXDAIG-MNOVXSKESA-N 1 1 368.821 2.128 20 5 FEBDMO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299702589 553603305 /nfs/dbraw/zinc/60/33/05/553603305.db2.gz FKAUYJOKPRNYBP-CYBMUJFWSA-N 1 1 354.476 2.144 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301099731 553621867 /nfs/dbraw/zinc/62/18/67/553621867.db2.gz SMODTHDJZBEPKL-AWEZNQCLSA-N 1 1 355.398 2.165 20 5 FEBDMO Cc1ccnc(N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000301288066 553639126 /nfs/dbraw/zinc/63/91/26/553639126.db2.gz NPZPANQLJQFSJF-HNNXBMFYSA-N 1 1 356.430 2.316 20 5 FEBDMO COC(=O)c1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000301673261 553670644 /nfs/dbraw/zinc/67/06/44/553670644.db2.gz GINJHEKCGZBMFF-STQMWFEESA-N 1 1 351.403 2.211 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301800703 553680204 /nfs/dbraw/zinc/68/02/04/553680204.db2.gz SSTCJMZFHDIGLD-ZDUSSCGKSA-N 1 1 370.475 2.165 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313338357 553757084 /nfs/dbraw/zinc/75/70/84/553757084.db2.gz BLSGQSYUCRDHKI-MRXNPFEDSA-N 1 1 361.423 2.238 20 5 FEBDMO CC1=CC[N@@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000506658985 561705257 /nfs/dbraw/zinc/70/52/57/561705257.db2.gz AILQWARGFWYTMQ-UHFFFAOYSA-N 1 1 355.398 2.162 20 5 FEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000507594340 561734645 /nfs/dbraw/zinc/73/46/45/561734645.db2.gz ABRPZGYPHLPKAD-OCCSQVGLSA-N 1 1 356.382 2.261 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000330886481 554183533 /nfs/dbraw/zinc/18/35/33/554183533.db2.gz GKFUEBZLSGCILQ-AWEZNQCLSA-N 1 1 355.460 2.256 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000330892311 554184088 /nfs/dbraw/zinc/18/40/88/554184088.db2.gz XQYIVLQLMFKIRQ-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO COc1ccc(S(=O)(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000331271787 554239410 /nfs/dbraw/zinc/23/94/10/554239410.db2.gz GPTNPZBJPBDKDZ-UHFFFAOYSA-N 1 1 371.459 2.004 20 5 FEBDMO Cc1[nH+]ccn1CCCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000509436785 561799809 /nfs/dbraw/zinc/79/98/09/561799809.db2.gz DUSGWBVVKDBOBF-UHFFFAOYSA-N 1 1 373.413 2.074 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000332562101 554472041 /nfs/dbraw/zinc/47/20/41/554472041.db2.gz XEQUJCZWTKNXAR-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000510472034 561835731 /nfs/dbraw/zinc/83/57/31/561835731.db2.gz CTOCUTNMMOOSBB-VIFPVBQESA-N 1 1 356.220 2.442 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000510472034 561835732 /nfs/dbraw/zinc/83/57/32/561835732.db2.gz CTOCUTNMMOOSBB-VIFPVBQESA-N 1 1 356.220 2.442 20 5 FEBDMO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000510778654 561846256 /nfs/dbraw/zinc/84/62/56/561846256.db2.gz NHNOBSMSSZUJSY-QWHCGFSZSA-N 1 1 361.851 2.198 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702485 554668818 /nfs/dbraw/zinc/66/88/18/554668818.db2.gz UGHJRFRQQDTYOP-CQSZACIVSA-N 1 1 358.446 2.224 20 5 FEBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000511069873 561855730 /nfs/dbraw/zinc/85/57/30/561855730.db2.gz RGARDRUMFZWDLV-CYBMUJFWSA-N 1 1 362.430 2.010 20 5 FEBDMO CCC[N@H+](C)Cc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000351035930 554831879 /nfs/dbraw/zinc/83/18/79/554831879.db2.gz YQUPZJYSVPWOJU-UHFFFAOYSA-N 1 1 350.375 2.428 20 5 FEBDMO CCC[N@@H+](C)Cc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000351035930 554831880 /nfs/dbraw/zinc/83/18/80/554831880.db2.gz YQUPZJYSVPWOJU-UHFFFAOYSA-N 1 1 350.375 2.428 20 5 FEBDMO COc1ccc(C[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000362069099 554948192 /nfs/dbraw/zinc/94/81/92/554948192.db2.gz UNDFXRAGZJEWRA-INIZCTEOSA-N 1 1 357.410 2.472 20 5 FEBDMO O=C([C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000362853155 554993441 /nfs/dbraw/zinc/99/34/41/554993441.db2.gz UBYVAHVOHCSTQF-JKSUJKDBSA-N 1 1 358.442 2.118 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1C ZINC000363079469 555025505 /nfs/dbraw/zinc/02/55/05/555025505.db2.gz ZUSIVBDWMJYAPC-AWEZNQCLSA-N 1 1 353.444 2.070 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363086985 555027281 /nfs/dbraw/zinc/02/72/81/555027281.db2.gz QKJKMNNRXWKOMO-INIZCTEOSA-N 1 1 371.441 2.279 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363258706 555065790 /nfs/dbraw/zinc/06/57/90/555065790.db2.gz IHVFWLAQKSLEAV-JYYAWHABSA-N 1 1 358.442 2.338 20 5 FEBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cn1 ZINC000363590592 555143170 /nfs/dbraw/zinc/14/31/70/555143170.db2.gz VPASWBQCTKKTMQ-ZDUSSCGKSA-N 1 1 368.397 2.443 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000363641573 555153041 /nfs/dbraw/zinc/15/30/41/555153041.db2.gz PHVUELXCPPMQHI-JCURWCKSSA-N 1 1 363.414 2.287 20 5 FEBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc([N+](=O)[O-])cn3)CC2)oc1C ZINC000363695271 555166423 /nfs/dbraw/zinc/16/64/23/555166423.db2.gz UECSFVUZQQKNSB-UHFFFAOYSA-N 1 1 373.413 2.237 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000512135222 561893693 /nfs/dbraw/zinc/89/36/93/561893693.db2.gz GYJZREKOWVWQLR-STQMWFEESA-N 1 1 367.471 2.498 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000512135222 561893694 /nfs/dbraw/zinc/89/36/94/561893694.db2.gz GYJZREKOWVWQLR-STQMWFEESA-N 1 1 367.471 2.498 20 5 FEBDMO Cc1c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364075571 555245607 /nfs/dbraw/zinc/24/56/07/555245607.db2.gz MSPURJXQZFKJPE-ZDUSSCGKSA-N 1 1 362.386 2.430 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3CO)o2)c(Cl)c1 ZINC000364327328 555292135 /nfs/dbraw/zinc/29/21/35/555292135.db2.gz YBXHQMZEXJWPLB-NWDGAFQWSA-N 1 1 352.774 2.436 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000364581405 555344437 /nfs/dbraw/zinc/34/44/37/555344437.db2.gz QHKQLYDTKNMWBP-ARFHVFGLSA-N 1 1 359.426 2.468 20 5 FEBDMO Cc1ncccc1O[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364593333 555347650 /nfs/dbraw/zinc/34/76/50/555347650.db2.gz YMXADXWWIKBGDV-CVEARBPZSA-N 1 1 373.409 2.191 20 5 FEBDMO C[N@H+]1CCCC12CCN(C(=O)[C@H]1CC(c3ccccc3[N+](=O)[O-])=NO1)CC2 ZINC000364675323 555371208 /nfs/dbraw/zinc/37/12/08/555371208.db2.gz LUAUAFOZRZAHFG-QGZVFWFLSA-N 1 1 372.425 2.175 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@@]3(CNC(=O)O3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364893376 555428080 /nfs/dbraw/zinc/42/80/80/555428080.db2.gz RCEBWMXUHMZYJN-GOSISDBHSA-N 1 1 371.397 2.070 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512798646 561915819 /nfs/dbraw/zinc/91/58/19/561915819.db2.gz XYQDCSUNFPUPPF-NSHDSACASA-N 1 1 373.356 2.493 20 5 FEBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000365217293 555513148 /nfs/dbraw/zinc/51/31/48/555513148.db2.gz PEDZOJMFHDVQGC-KBOKABMXSA-N 1 1 359.426 2.321 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365221788 555514223 /nfs/dbraw/zinc/51/42/23/555514223.db2.gz HRYCYTXTZIRVLG-NWDGAFQWSA-N 1 1 356.382 2.205 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000365376420 555557708 /nfs/dbraw/zinc/55/77/08/555557708.db2.gz BTVNVOAQTYZASE-KGLIPLIRSA-N 1 1 365.434 2.123 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000365432805 555575024 /nfs/dbraw/zinc/57/50/24/555575024.db2.gz NXYRAEQJHHCTHM-UHFFFAOYSA-N 1 1 363.805 2.381 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000365449191 555579015 /nfs/dbraw/zinc/57/90/15/555579015.db2.gz XWEHDGQXKCSMSO-YEBMWUKDSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000365449191 555579017 /nfs/dbraw/zinc/57/90/17/555579017.db2.gz XWEHDGQXKCSMSO-YEBMWUKDSA-N 1 1 353.444 2.075 20 5 FEBDMO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000365617746 555623891 /nfs/dbraw/zinc/62/38/91/555623891.db2.gz CXGFUJWXKSTXRC-MRVPVSSYSA-N 1 1 360.233 2.339 20 5 FEBDMO Cn1ccnc1[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000365639018 555628918 /nfs/dbraw/zinc/62/89/18/555628918.db2.gz PBDWLWOBCZDBBM-OAHLLOKOSA-N 1 1 369.425 2.097 20 5 FEBDMO Cn1ccnc1[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000365639018 555628921 /nfs/dbraw/zinc/62/89/21/555628921.db2.gz PBDWLWOBCZDBBM-OAHLLOKOSA-N 1 1 369.425 2.097 20 5 FEBDMO COc1ccc(NC(=O)CN2CCC[C@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000365648853 555631355 /nfs/dbraw/zinc/63/13/55/555631355.db2.gz LGGOYJKYNPXDEU-ZDUSSCGKSA-N 1 1 373.413 2.155 20 5 FEBDMO Cc1noc(CCC[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000513660127 561946169 /nfs/dbraw/zinc/94/61/69/561946169.db2.gz GAYQAFKBNFXNNJ-INIZCTEOSA-N 1 1 356.386 2.332 20 5 FEBDMO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNc1nc(C)ccc1[N+](=O)[O-] ZINC000366218293 555784318 /nfs/dbraw/zinc/78/43/18/555784318.db2.gz KWEBSWVOWWVZEA-UHFFFAOYSA-N 1 1 373.461 2.094 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000513881792 561953125 /nfs/dbraw/zinc/95/31/25/561953125.db2.gz WFWDRZQVMGRUDR-OAHLLOKOSA-N 1 1 355.460 2.087 20 5 FEBDMO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000366450251 555847708 /nfs/dbraw/zinc/84/77/08/555847708.db2.gz WZBTXNZUGVRGNC-CQSZACIVSA-N 1 1 356.444 2.263 20 5 FEBDMO CS(=O)(=O)CC[C@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000366450251 555847709 /nfs/dbraw/zinc/84/77/09/555847709.db2.gz WZBTXNZUGVRGNC-CQSZACIVSA-N 1 1 356.444 2.263 20 5 FEBDMO CC[N@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000514097998 561960345 /nfs/dbraw/zinc/96/03/45/561960345.db2.gz CNWNHDQNNRVOTK-UHFFFAOYSA-N 1 1 360.208 2.264 20 5 FEBDMO CC[N@@H+](CCOC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000514097998 561960346 /nfs/dbraw/zinc/96/03/46/561960346.db2.gz CNWNHDQNNRVOTK-UHFFFAOYSA-N 1 1 360.208 2.264 20 5 FEBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000514317448 561965714 /nfs/dbraw/zinc/96/57/14/561965714.db2.gz PTYBQEHIFAUZPK-WBVHZDCISA-N 1 1 374.393 2.106 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000367279769 556006584 /nfs/dbraw/zinc/00/65/84/556006584.db2.gz AEDNUCPJGUQZFB-CYBMUJFWSA-N 1 1 372.450 2.406 20 5 FEBDMO O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367386211 556034863 /nfs/dbraw/zinc/03/48/63/556034863.db2.gz QBMWWWQZRWSWER-GFCCVEGCSA-N 1 1 368.365 2.397 20 5 FEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367437473 556048708 /nfs/dbraw/zinc/04/87/08/556048708.db2.gz WNMUGOGPAWJRGI-KSSFIOAISA-N 1 1 360.458 2.260 20 5 FEBDMO O=C(NCc1c[nH+]c2n1CCCC2)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000367948624 556179893 /nfs/dbraw/zinc/17/98/93/556179893.db2.gz VLCGUMPGMJLVBJ-UHFFFAOYSA-N 1 1 371.397 2.100 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000368375606 556291881 /nfs/dbraw/zinc/29/18/81/556291881.db2.gz WUYJMYATQDGJGM-UONOGXRCSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000368375606 556291886 /nfs/dbraw/zinc/29/18/86/556291886.db2.gz WUYJMYATQDGJGM-UONOGXRCSA-N 1 1 352.387 2.146 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000368594797 556357208 /nfs/dbraw/zinc/35/72/08/556357208.db2.gz XLTBHYVPQMSGHP-BDJLRTHQSA-N 1 1 356.382 2.015 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000369064430 556494591 /nfs/dbraw/zinc/49/45/91/556494591.db2.gz MMNJBKDAYLANPU-LBPRGKRZSA-N 1 1 361.398 2.113 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000369092102 556503168 /nfs/dbraw/zinc/50/31/68/556503168.db2.gz MNVLXKOMJQAYFW-HNNXBMFYSA-N 1 1 361.358 2.172 20 5 FEBDMO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@](=O)C1 ZINC000369367090 556581669 /nfs/dbraw/zinc/58/16/69/556581669.db2.gz VZSBKPOPIBTIQR-CANCMXDXSA-N 1 1 363.439 2.493 20 5 FEBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@](=O)C1 ZINC000369367090 556581673 /nfs/dbraw/zinc/58/16/73/556581673.db2.gz VZSBKPOPIBTIQR-CANCMXDXSA-N 1 1 363.439 2.493 20 5 FEBDMO Cc1ccn2c(c1)nnc2C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000369813523 556702324 /nfs/dbraw/zinc/70/23/24/556702324.db2.gz IIFDQYAXMZLXLO-UHFFFAOYSA-N 1 1 355.402 2.059 20 5 FEBDMO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975611 556746496 /nfs/dbraw/zinc/74/64/96/556746496.db2.gz SQTPOLPPNNUIFZ-RDJZCZTQSA-N 1 1 360.414 2.177 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](OC)CC1 ZINC000369992411 556751238 /nfs/dbraw/zinc/75/12/38/556751238.db2.gz BVCQGFMYYAOPPH-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO Cc1c(CC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370814161 556976503 /nfs/dbraw/zinc/97/65/03/556976503.db2.gz HZKNCZJEFCAZBX-SFHVURJKSA-N 1 1 374.485 2.073 20 5 FEBDMO Cc1c(CC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370814161 556976505 /nfs/dbraw/zinc/97/65/05/556976505.db2.gz HZKNCZJEFCAZBX-SFHVURJKSA-N 1 1 374.485 2.073 20 5 FEBDMO Cc1c(CC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000370817945 556977968 /nfs/dbraw/zinc/97/79/68/556977968.db2.gz ZKUBKNNACNJNBP-FUHWJXTLSA-N 1 1 361.442 2.205 20 5 FEBDMO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)CCC[N@H+]2C)cn1 ZINC000370926495 557018981 /nfs/dbraw/zinc/01/89/81/557018981.db2.gz BKJOOSWYBJOUCE-RHSMWYFYSA-N 1 1 357.414 2.141 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C(C)C)c1[N+](=O)[O-] ZINC000371021461 557048720 /nfs/dbraw/zinc/04/87/20/557048720.db2.gz DVUFVOUURCOBKT-ZDUSSCGKSA-N 1 1 360.418 2.261 20 5 FEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000371125897 557082456 /nfs/dbraw/zinc/08/24/56/557082456.db2.gz CZOCPMVHUGYXIR-CQSZACIVSA-N 1 1 358.398 2.424 20 5 FEBDMO O=c1c(F)cc([N+](=O)[O-])cn1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000517370909 562087374 /nfs/dbraw/zinc/08/73/74/562087374.db2.gz NWIAZSICKFHYPJ-INIZCTEOSA-N 1 1 361.373 2.187 20 5 FEBDMO C[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC12CCCCC2 ZINC000518790715 562118586 /nfs/dbraw/zinc/11/85/86/562118586.db2.gz KXGSBWACAAYLEU-UHFFFAOYSA-N 1 1 372.469 2.434 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2ccncc2)n1 ZINC000372272597 557427294 /nfs/dbraw/zinc/42/72/94/557427294.db2.gz IHJJPOSLDRBBAN-MRXNPFEDSA-N 1 1 367.413 2.424 20 5 FEBDMO Cc1c([C@H]2CCC[N@@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cnn1C ZINC000372318177 557438020 /nfs/dbraw/zinc/43/80/20/557438020.db2.gz FXUUUVVBMHNDCY-GOSISDBHSA-N 1 1 369.425 2.363 20 5 FEBDMO Cc1c([C@H]2CCC[N@H+]2CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cnn1C ZINC000372318177 557438021 /nfs/dbraw/zinc/43/80/21/557438021.db2.gz FXUUUVVBMHNDCY-GOSISDBHSA-N 1 1 369.425 2.363 20 5 FEBDMO COc1ccc2c(c1)[C@H](C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000372345778 557446325 /nfs/dbraw/zinc/44/63/25/557446325.db2.gz LJNYWASZDWOEJW-CQSZACIVSA-N 1 1 357.410 2.427 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](n2cccn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372552734 557501895 /nfs/dbraw/zinc/50/18/95/557501895.db2.gz LODSOCMNENKFGT-MRXNPFEDSA-N 1 1 355.398 2.018 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](n2cccn2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000372552734 557501896 /nfs/dbraw/zinc/50/18/96/557501896.db2.gz LODSOCMNENKFGT-MRXNPFEDSA-N 1 1 355.398 2.018 20 5 FEBDMO C[C@@H]1[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000372975384 557601290 /nfs/dbraw/zinc/60/12/90/557601290.db2.gz MNDJMADTSWCNLE-GOEBONIOSA-N 1 1 350.415 2.226 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000373081718 557623994 /nfs/dbraw/zinc/62/39/94/557623994.db2.gz SGSRVDHOSSMQBL-RDTXWAMCSA-N 1 1 371.441 2.450 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC12CCC2 ZINC000373182433 557646014 /nfs/dbraw/zinc/64/60/14/557646014.db2.gz IQPYBVHHIPZCMV-AWEZNQCLSA-N 1 1 372.381 2.420 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC12CCC2 ZINC000373182433 557646017 /nfs/dbraw/zinc/64/60/17/557646017.db2.gz IQPYBVHHIPZCMV-AWEZNQCLSA-N 1 1 372.381 2.420 20 5 FEBDMO C[NH+](C)[C@@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000373250198 557658515 /nfs/dbraw/zinc/65/85/15/557658515.db2.gz OCCGVHZYZMBZLH-QGZVFWFLSA-N 1 1 357.414 2.258 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000373896989 557782118 /nfs/dbraw/zinc/78/21/18/557782118.db2.gz VAFMLOVADHEAGT-LLYBFZRZSA-N 1 1 359.426 2.320 20 5 FEBDMO Cc1cc(C2=CC[N@@H+](CCN3CCOC[C@H]3C)CC2)cc([N+](=O)[O-])c1N ZINC000374165622 557835309 /nfs/dbraw/zinc/83/53/09/557835309.db2.gz ZNCRXTHOXFAFNZ-OAHLLOKOSA-N 1 1 360.458 2.295 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1F ZINC000374527264 557895162 /nfs/dbraw/zinc/89/51/62/557895162.db2.gz PJZIAFDHKUJOCF-JTQLQIEISA-N 1 1 372.360 2.453 20 5 FEBDMO O=C(CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)N1CCOCC1 ZINC000374905811 557949053 /nfs/dbraw/zinc/94/90/53/557949053.db2.gz AQLHSHRWHSTPDU-UHFFFAOYSA-N 1 1 365.405 2.195 20 5 FEBDMO CSc1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000375331671 558010194 /nfs/dbraw/zinc/01/01/94/558010194.db2.gz IXMLKWCRQURBFO-QWHCGFSZSA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1cccc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000375331671 558010196 /nfs/dbraw/zinc/01/01/96/558010196.db2.gz IXMLKWCRQURBFO-QWHCGFSZSA-N 1 1 365.455 2.300 20 5 FEBDMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376325437 558158162 /nfs/dbraw/zinc/15/81/62/558158162.db2.gz QWKRYWZJLICPGU-QXSJWSMHSA-N 1 1 363.462 2.321 20 5 FEBDMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376325437 558158164 /nfs/dbraw/zinc/15/81/64/558158164.db2.gz QWKRYWZJLICPGU-QXSJWSMHSA-N 1 1 363.462 2.321 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000376450654 558175081 /nfs/dbraw/zinc/17/50/81/558175081.db2.gz SUVCDANCQUFUPJ-RYUDHWBXSA-N 1 1 363.443 2.025 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000376827323 558226628 /nfs/dbraw/zinc/22/66/28/558226628.db2.gz HUPCXXBULSDLAX-YOEHRIQHSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000376827323 558226630 /nfs/dbraw/zinc/22/66/30/558226630.db2.gz HUPCXXBULSDLAX-YOEHRIQHSA-N 1 1 358.373 2.491 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000377168169 558279973 /nfs/dbraw/zinc/27/99/73/558279973.db2.gz JPKCRNMXXGKTRW-COXVUDFISA-N 1 1 374.441 2.350 20 5 FEBDMO CCC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377497353 558351568 /nfs/dbraw/zinc/35/15/68/558351568.db2.gz WCKPQGBIKRLQJQ-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO CCC[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377497353 558351571 /nfs/dbraw/zinc/35/15/71/558351571.db2.gz WCKPQGBIKRLQJQ-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766510 558415682 /nfs/dbraw/zinc/41/56/82/558415682.db2.gz FVGMIAKTQMRMPM-MSOLQXFVSA-N 1 1 355.442 2.245 20 5 FEBDMO COc1cc(N2CCC[C@H](CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000378086385 558477227 /nfs/dbraw/zinc/47/72/27/558477227.db2.gz JLZPDDQYGCAQNT-CQSZACIVSA-N 1 1 366.437 2.206 20 5 FEBDMO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411490913 558904302 /nfs/dbraw/zinc/90/43/02/558904302.db2.gz DHSVPUYLJKGKSU-UHFFFAOYSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411559575 558917276 /nfs/dbraw/zinc/91/72/76/558917276.db2.gz IOCHNUACVRHLGQ-GFCCVEGCSA-N 1 1 350.419 2.158 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000525765983 562254376 /nfs/dbraw/zinc/25/43/76/562254376.db2.gz PGHMYLPAPMXMOQ-UHFFFAOYSA-N 1 1 361.402 2.258 20 5 FEBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000411958676 558995296 /nfs/dbraw/zinc/99/52/96/558995296.db2.gz CIOKIRDGKPAGFF-IBGZPJMESA-N 1 1 365.393 2.100 20 5 FEBDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000411964373 558996335 /nfs/dbraw/zinc/99/63/35/558996335.db2.gz IODXVHYAASIOQO-LJQANCHMSA-N 1 1 355.394 2.103 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412171239 559018238 /nfs/dbraw/zinc/01/82/38/559018238.db2.gz DSXNIHYEVWSCPU-OLZOCXBDSA-N 1 1 365.405 2.370 20 5 FEBDMO Nc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)c[nH+]1 ZINC000413104495 559078562 /nfs/dbraw/zinc/07/85/62/559078562.db2.gz XSPXITLWJSMRDQ-UHFFFAOYSA-N 1 1 368.319 2.312 20 5 FEBDMO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@@H+](C)C1 ZINC000413505630 559112794 /nfs/dbraw/zinc/11/27/94/559112794.db2.gz VFNPAVNQAMPKFN-ZDUSSCGKSA-N 1 1 365.430 2.313 20 5 FEBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199042 559152655 /nfs/dbraw/zinc/15/26/55/559152655.db2.gz YSKAOPJZVPXHPV-WMZOPIPTSA-N 1 1 364.442 2.472 20 5 FEBDMO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000414630267 559176397 /nfs/dbraw/zinc/17/63/97/559176397.db2.gz VGBUHAAQLQUIIE-LLVKDONJSA-N 1 1 354.388 2.094 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417385254 559360281 /nfs/dbraw/zinc/36/02/81/559360281.db2.gz LWURSGCGTHHRGC-BBRMVZONSA-N 1 1 365.384 2.347 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000420292287 559479098 /nfs/dbraw/zinc/47/90/98/559479098.db2.gz LQAXRGCEBKRQDZ-HZPDHXFCSA-N 1 1 360.458 2.108 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000420292287 559479099 /nfs/dbraw/zinc/47/90/99/559479099.db2.gz LQAXRGCEBKRQDZ-HZPDHXFCSA-N 1 1 360.458 2.108 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420377242 559483982 /nfs/dbraw/zinc/48/39/82/559483982.db2.gz PPRMUYSMIFYLIY-SFHVURJKSA-N 1 1 362.430 2.008 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421015090 559519738 /nfs/dbraw/zinc/51/97/38/559519738.db2.gz LAFDMKZFCTXCQV-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421015090 559519739 /nfs/dbraw/zinc/51/97/39/559519739.db2.gz LAFDMKZFCTXCQV-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO Cc1ccsc1C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421368658 559540305 /nfs/dbraw/zinc/54/03/05/559540305.db2.gz AJYCTUSWXHKAAN-UHFFFAOYSA-N 1 1 369.468 2.375 20 5 FEBDMO Cc1ccsc1C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421368658 559540306 /nfs/dbraw/zinc/54/03/06/559540306.db2.gz AJYCTUSWXHKAAN-UHFFFAOYSA-N 1 1 369.468 2.375 20 5 FEBDMO CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000421373277 559540553 /nfs/dbraw/zinc/54/05/53/559540553.db2.gz DVAWZMPBBXKYMT-LBPRGKRZSA-N 1 1 359.382 2.431 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000424981686 559682076 /nfs/dbraw/zinc/68/20/76/559682076.db2.gz BXJRAHZKOJEVFD-CYBMUJFWSA-N 1 1 367.421 2.407 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426264751 559731941 /nfs/dbraw/zinc/73/19/41/559731941.db2.gz RKLRCCRSQAYIEH-NILFDRSVSA-N 1 1 351.403 2.166 20 5 FEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999085 559787793 /nfs/dbraw/zinc/78/77/93/559787793.db2.gz RZQLDYXJVNAMAG-RVKKMQEKSA-N 1 1 360.458 2.220 20 5 FEBDMO O=[N+]([O-])c1cnn(CCN(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435694576 559928423 /nfs/dbraw/zinc/92/84/23/559928423.db2.gz MATSUSYMYMAKJZ-INIZCTEOSA-N 1 1 361.471 2.497 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+](CCO)[C@H]3CCCSC3)o2)cc1 ZINC000438994975 559986975 /nfs/dbraw/zinc/98/69/75/559986975.db2.gz BHZZYEIQWRUTIC-AWEZNQCLSA-N 1 1 364.427 2.335 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+](CCO)[C@H]3CCCSC3)o2)cc1 ZINC000438994975 559986976 /nfs/dbraw/zinc/98/69/76/559986976.db2.gz BHZZYEIQWRUTIC-AWEZNQCLSA-N 1 1 364.427 2.335 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]Cc2ccccc21 ZINC000440349855 560009210 /nfs/dbraw/zinc/00/92/10/560009210.db2.gz ACFXLJIDTJKGNQ-UHFFFAOYSA-N 1 1 361.423 2.456 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[S@@](=O)c3ccccc3)C2)nc1 ZINC000440502137 560012584 /nfs/dbraw/zinc/01/25/84/560012584.db2.gz GMYOFUKVVFJEKT-DLUDVSRJSA-N 1 1 360.439 2.284 20 5 FEBDMO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440820823 560018928 /nfs/dbraw/zinc/01/89/28/560018928.db2.gz ZVELCSXWMNQORA-XCBNKYQSSA-N 1 1 368.242 2.178 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441642623 560036643 /nfs/dbraw/zinc/03/66/43/560036643.db2.gz HGAVSQZTTNAQME-KBPBESRZSA-N 1 1 361.398 2.251 20 5 FEBDMO C[NH+](C)C1CN(C(=O)c2cc(F)cc3c(=O)c4cccc(F)c4[nH]c23)C1 ZINC000444291129 560108296 /nfs/dbraw/zinc/10/82/96/560108296.db2.gz KYIHPBDHPKFTNW-UHFFFAOYSA-N 1 1 357.360 2.346 20 5 FEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(c2cccnn2)CC1 ZINC000444659407 560117860 /nfs/dbraw/zinc/11/78/60/560117860.db2.gz CZDUHMKVYNIVHK-UHFFFAOYSA-N 1 1 367.413 2.362 20 5 FEBDMO Cc1oncc1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000445790464 560135034 /nfs/dbraw/zinc/13/50/34/560135034.db2.gz PABCJXOSIKRWGQ-UHFFFAOYSA-N 1 1 356.386 2.480 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000446834202 560152351 /nfs/dbraw/zinc/15/23/51/560152351.db2.gz JJBJHUHZSZQLHD-UHFFFAOYSA-N 1 1 370.365 2.313 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447933925 560173751 /nfs/dbraw/zinc/17/37/51/560173751.db2.gz YSYWUGPWCGNHDP-HNNXBMFYSA-N 1 1 355.460 2.302 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000447946379 560174286 /nfs/dbraw/zinc/17/42/86/560174286.db2.gz UXCWQZNMDCZUPF-OAHLLOKOSA-N 1 1 355.460 2.135 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448820307 560200855 /nfs/dbraw/zinc/20/08/55/560200855.db2.gz BALNHWNKCDPTHT-ZDUSSCGKSA-N 1 1 357.414 2.447 20 5 FEBDMO CCOC(=O)c1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]c1C ZINC000449029827 560213332 /nfs/dbraw/zinc/21/33/32/560213332.db2.gz PVJXDOGXUGXOSB-ZDUSSCGKSA-N 1 1 373.413 2.489 20 5 FEBDMO CCOC(=O)c1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]c1C ZINC000449029827 560213333 /nfs/dbraw/zinc/21/33/33/560213333.db2.gz PVJXDOGXUGXOSB-ZDUSSCGKSA-N 1 1 373.413 2.489 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000449386023 560228375 /nfs/dbraw/zinc/22/83/75/560228375.db2.gz HENZNTADSSGFEC-AWEZNQCLSA-N 1 1 359.373 2.133 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCN2CCCO)c1 ZINC000449386023 560228377 /nfs/dbraw/zinc/22/83/77/560228377.db2.gz HENZNTADSSGFEC-AWEZNQCLSA-N 1 1 359.373 2.133 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449685680 560236864 /nfs/dbraw/zinc/23/68/64/560236864.db2.gz VEFULWRENCUMMB-SFHVURJKSA-N 1 1 364.398 2.149 20 5 FEBDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449761050 560239183 /nfs/dbraw/zinc/23/91/83/560239183.db2.gz UFURWEVWRLIALX-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2CCCO)c(Br)c1 ZINC000450594323 560267397 /nfs/dbraw/zinc/26/73/97/560267397.db2.gz KIPIRTKMYBPHRK-JTQLQIEISA-N 1 1 359.224 2.011 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2CCCO)c(Br)c1 ZINC000450594323 560267396 /nfs/dbraw/zinc/26/73/96/560267396.db2.gz KIPIRTKMYBPHRK-JTQLQIEISA-N 1 1 359.224 2.011 20 5 FEBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450811620 560274347 /nfs/dbraw/zinc/27/43/47/560274347.db2.gz ODVUICZYUHSKAF-CQSZACIVSA-N 1 1 369.425 2.047 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451357819 560302532 /nfs/dbraw/zinc/30/25/32/560302532.db2.gz ZAINKDGLENSPAD-KONPQCLYSA-N 1 1 364.442 2.350 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451698856 560322923 /nfs/dbraw/zinc/32/29/23/560322923.db2.gz TVVUFOLIJUCYLM-UMVBOHGHSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451698856 560322924 /nfs/dbraw/zinc/32/29/24/560322924.db2.gz TVVUFOLIJUCYLM-UMVBOHGHSA-N 1 1 363.414 2.025 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451758366 560327042 /nfs/dbraw/zinc/32/70/42/560327042.db2.gz PXGWKMMHFRCIGL-RUZDIDTESA-N 1 1 367.471 2.465 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451758366 560327043 /nfs/dbraw/zinc/32/70/43/560327043.db2.gz PXGWKMMHFRCIGL-RUZDIDTESA-N 1 1 367.471 2.465 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451861541 560333081 /nfs/dbraw/zinc/33/30/81/560333081.db2.gz XSHAPCIZLUMGNQ-HZPDHXFCSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451861541 560333082 /nfs/dbraw/zinc/33/30/82/560333082.db2.gz XSHAPCIZLUMGNQ-HZPDHXFCSA-N 1 1 363.414 2.431 20 5 FEBDMO COC[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000452092242 560350694 /nfs/dbraw/zinc/35/06/94/560350694.db2.gz UHIJWVZXMIYJKC-GFCCVEGCSA-N 1 1 365.386 2.011 20 5 FEBDMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000452092242 560350695 /nfs/dbraw/zinc/35/06/95/560350695.db2.gz UHIJWVZXMIYJKC-GFCCVEGCSA-N 1 1 365.386 2.011 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452125793 560352943 /nfs/dbraw/zinc/35/29/43/560352943.db2.gz JNGHMJTVRPKJAC-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](CCCO)C1 ZINC000452125793 560352944 /nfs/dbraw/zinc/35/29/44/560352944.db2.gz JNGHMJTVRPKJAC-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1nn(C)c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000452729503 560372457 /nfs/dbraw/zinc/37/24/57/560372457.db2.gz KKEONAZKESPNEF-UHFFFAOYSA-N 1 1 371.441 2.421 20 5 FEBDMO Cc1n[nH]c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)c1[N+](=O)[O-] ZINC000452735802 560372482 /nfs/dbraw/zinc/37/24/82/560372482.db2.gz XVTKWXGSATWHCL-UHFFFAOYSA-N 1 1 357.414 2.411 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000454085212 560427842 /nfs/dbraw/zinc/42/78/42/560427842.db2.gz FFABOZSCUMMMFB-LBPRGKRZSA-N 1 1 368.821 2.128 20 5 FEBDMO CNc1nc(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000456032694 560505081 /nfs/dbraw/zinc/50/50/81/560505081.db2.gz BFIQNZFPXKXSPB-UHFFFAOYSA-N 1 1 361.402 2.219 20 5 FEBDMO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456344643 560516104 /nfs/dbraw/zinc/51/61/04/560516104.db2.gz RSPPUDGJVVLYSX-AWEZNQCLSA-N 1 1 370.409 2.290 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000457083147 560547409 /nfs/dbraw/zinc/54/74/09/560547409.db2.gz XLRNRMVIZYYEIZ-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000457109544 560549762 /nfs/dbraw/zinc/54/97/62/560549762.db2.gz HDMLSKCUYYNNCK-INIZCTEOSA-N 1 1 357.414 2.335 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000458155867 560605890 /nfs/dbraw/zinc/60/58/90/560605890.db2.gz BAACTQBYASSBKE-CYBMUJFWSA-N 1 1 365.430 2.464 20 5 FEBDMO C[N@@H+](CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)Cc1ccc(F)cc1 ZINC000459504877 560690473 /nfs/dbraw/zinc/69/04/73/560690473.db2.gz HWZBMXQSBXRLJM-UHFFFAOYSA-N 1 1 373.432 2.383 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000461759360 560781973 /nfs/dbraw/zinc/78/19/73/560781973.db2.gz ZQOOWOGOFGBCCR-UHFFFAOYSA-N 1 1 359.386 2.021 20 5 FEBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000463453636 560815546 /nfs/dbraw/zinc/81/55/46/560815546.db2.gz HECCFMUPPGVMPK-NSHDSACASA-N 1 1 372.219 2.407 20 5 FEBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000463453636 560815547 /nfs/dbraw/zinc/81/55/47/560815547.db2.gz HECCFMUPPGVMPK-NSHDSACASA-N 1 1 372.219 2.407 20 5 FEBDMO CO[C@]1(C)C[C@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000464819145 560852413 /nfs/dbraw/zinc/85/24/13/560852413.db2.gz AWPXWOJBKRGXRA-QILLFSRXSA-N 1 1 352.431 2.470 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000464850811 560853380 /nfs/dbraw/zinc/85/33/80/560853380.db2.gz LCBDPYXQNPUGNS-UKRRQHHQSA-N 1 1 361.398 2.394 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467127705 560904095 /nfs/dbraw/zinc/90/40/95/560904095.db2.gz HZEHGVMPXSHDCJ-STQMWFEESA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724296 560916071 /nfs/dbraw/zinc/91/60/71/560916071.db2.gz RWHCHRDSYYAAOE-PBHICJAKSA-N 1 1 372.469 2.410 20 5 FEBDMO CNC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000468688618 560936176 /nfs/dbraw/zinc/93/61/76/560936176.db2.gz GTXANKKCALDBBF-LBPRGKRZSA-N 1 1 374.397 2.367 20 5 FEBDMO Cc1cccc(NCCNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[nH+]1 ZINC000468704084 560936670 /nfs/dbraw/zinc/93/66/70/560936670.db2.gz OGPXJLFWDUHJHO-UHFFFAOYSA-N 1 1 350.400 2.226 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000470183340 560976276 /nfs/dbraw/zinc/97/62/76/560976276.db2.gz QHVUFXYOZRCSLZ-ZGUWOUCSSA-N 1 1 367.471 2.400 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000470183340 560976277 /nfs/dbraw/zinc/97/62/77/560976277.db2.gz QHVUFXYOZRCSLZ-ZGUWOUCSSA-N 1 1 367.471 2.400 20 5 FEBDMO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000470619394 560986014 /nfs/dbraw/zinc/98/60/14/560986014.db2.gz DTNLRBHDXXEIBH-FRRDWIJNSA-N 1 1 373.450 2.379 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000470619394 560986015 /nfs/dbraw/zinc/98/60/15/560986015.db2.gz DTNLRBHDXXEIBH-FRRDWIJNSA-N 1 1 373.450 2.379 20 5 FEBDMO CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471568402 561007498 /nfs/dbraw/zinc/00/74/98/561007498.db2.gz ZDQYFQGPRMJHCG-FUHWJXTLSA-N 1 1 372.425 2.332 20 5 FEBDMO CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471568402 561007499 /nfs/dbraw/zinc/00/74/99/561007499.db2.gz ZDQYFQGPRMJHCG-FUHWJXTLSA-N 1 1 372.425 2.332 20 5 FEBDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475112126 561090644 /nfs/dbraw/zinc/09/06/44/561090644.db2.gz DNHBOEONXADJJI-GOSISDBHSA-N 1 1 366.414 2.131 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]2CSC)cc1[N+](=O)[O-] ZINC000475697619 561102617 /nfs/dbraw/zinc/10/26/17/561102617.db2.gz HCJCVYDBGGRQDX-ZDUSSCGKSA-N 1 1 354.428 2.474 20 5 FEBDMO COC(=O)COc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713749 561102974 /nfs/dbraw/zinc/10/29/74/561102974.db2.gz KEPXMCPNHMCSHP-ZFWWWQNUSA-N 1 1 365.430 2.061 20 5 FEBDMO COC(=O)COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713747 561103089 /nfs/dbraw/zinc/10/30/89/561103089.db2.gz KEPXMCPNHMCSHP-UKRRQHHQSA-N 1 1 365.430 2.061 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000532943704 562493386 /nfs/dbraw/zinc/49/33/86/562493386.db2.gz AMKDDVZINYCRPQ-AWEZNQCLSA-N 1 1 362.430 2.209 20 5 FEBDMO C[C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)S(C)(=O)=O ZINC000533130360 562499461 /nfs/dbraw/zinc/49/94/61/562499461.db2.gz KQHDPJXDKRTNSI-JTQLQIEISA-N 1 1 355.441 2.241 20 5 FEBDMO Cc1ncc2c(n1)CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000533239258 562502520 /nfs/dbraw/zinc/50/25/20/562502520.db2.gz QAAODVXGCQRYQG-UHFFFAOYSA-N 1 1 355.398 2.389 20 5 FEBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1Cc1[nH+]ccn1CC(F)(F)F ZINC000534400026 562533272 /nfs/dbraw/zinc/53/32/72/562533272.db2.gz AJIKVQKLBGOAEU-UHFFFAOYSA-N 1 1 369.259 2.219 20 5 FEBDMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534959868 562546154 /nfs/dbraw/zinc/54/61/54/562546154.db2.gz NTXCVAULBUUUNF-ZBFHGGJFSA-N 1 1 372.425 2.449 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1OC ZINC000536600049 562579921 /nfs/dbraw/zinc/57/99/21/562579921.db2.gz RVNWTFMTPGSLMH-NWDGAFQWSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1OC ZINC000536600049 562579922 /nfs/dbraw/zinc/57/99/22/562579922.db2.gz RVNWTFMTPGSLMH-NWDGAFQWSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162334 562586798 /nfs/dbraw/zinc/58/67/98/562586798.db2.gz VDROBVQRGMRBBA-FOIQADDNSA-N 1 1 369.421 2.409 20 5 FEBDMO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602695490 568016173 /nfs/dbraw/zinc/01/61/73/568016173.db2.gz XAFHJVMRTICDSL-SSDOTTSWSA-N 1 1 350.238 2.422 20 5 FEBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736706031 598338569 /nfs/dbraw/zinc/33/85/69/598338569.db2.gz SCQLNGDKFWJXMQ-ZDUSSCGKSA-N 1 1 368.401 2.375 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000557673893 674460193 /nfs/dbraw/zinc/46/01/93/674460193.db2.gz MFEVFAZLWFFNMJ-ZDUSSCGKSA-N 1 1 350.419 2.617 20 5 FEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823629593 607472403 /nfs/dbraw/zinc/47/24/03/607472403.db2.gz BEHORQWAKYRJBQ-DZGCQCFKSA-N 1 1 369.429 2.228 20 5 FEBDMO C[C@@H](CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000564873496 675070789 /nfs/dbraw/zinc/07/07/89/675070789.db2.gz OZPIQRXHWTZCTQ-RDJZCZTQSA-N 1 1 351.447 2.189 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000092993559 670746833 /nfs/dbraw/zinc/74/68/33/670746833.db2.gz YMYZQIAZQFOJAM-LBPRGKRZSA-N 1 1 359.423 2.005 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000113198185 670881057 /nfs/dbraw/zinc/88/10/57/670881057.db2.gz FBBAXGBJRAKIEC-ZDUSSCGKSA-N 1 1 353.394 2.493 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000572401826 670997793 /nfs/dbraw/zinc/99/77/93/670997793.db2.gz JQZUQZCVDGNREO-ZIAGYGMSSA-N 1 1 367.471 2.450 20 5 FEBDMO C[NH+]1CCN(CCCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000572939741 671062253 /nfs/dbraw/zinc/06/22/53/671062253.db2.gz BHOODURIASWDJC-UHFFFAOYSA-N 1 1 361.368 2.448 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000573640635 671146351 /nfs/dbraw/zinc/14/63/51/671146351.db2.gz GARFZWSEYAOOSQ-QAPCUYQASA-N 1 1 350.415 2.227 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000576300362 671358843 /nfs/dbraw/zinc/35/88/43/671358843.db2.gz DUIDMJWCIDMWOC-AWEZNQCLSA-N 1 1 367.471 2.283 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000608862298 675905869 /nfs/dbraw/zinc/90/58/69/675905869.db2.gz BIEBWSCLSPTTGI-LLVKDONJSA-N 1 1 350.371 2.235 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000578009289 671634209 /nfs/dbraw/zinc/63/42/09/671634209.db2.gz NWDMYPIZXWJZKB-CABCVRRESA-N 1 1 353.444 2.062 20 5 FEBDMO CCOc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000578707656 671684069 /nfs/dbraw/zinc/68/40/69/671684069.db2.gz TYELMKURALBCDZ-GFCCVEGCSA-N 1 1 351.403 2.074 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000609792202 675936446 /nfs/dbraw/zinc/93/64/46/675936446.db2.gz MRHLAFHBYMKLGL-OAHLLOKOSA-N 1 1 367.833 2.114 20 5 FEBDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581571314 671912725 /nfs/dbraw/zinc/91/27/25/671912725.db2.gz IFFCTPDXTVSUNA-CQSZACIVSA-N 1 1 369.487 2.477 20 5 FEBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000126058083 672020078 /nfs/dbraw/zinc/02/00/78/672020078.db2.gz GENNBFZBUPAJSW-LLVKDONJSA-N 1 1 352.822 2.355 20 5 FEBDMO CCc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000583081534 672061998 /nfs/dbraw/zinc/06/19/98/672061998.db2.gz TVTLWSJWVDEPJZ-CYBMUJFWSA-N 1 1 355.460 2.167 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000129577504 672064037 /nfs/dbraw/zinc/06/40/37/672064037.db2.gz VIPRKUJXNWIMDD-LLVKDONJSA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000129577504 672064040 /nfs/dbraw/zinc/06/40/40/672064040.db2.gz VIPRKUJXNWIMDD-LLVKDONJSA-N 1 1 361.851 2.271 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000583991868 672145462 /nfs/dbraw/zinc/14/54/62/672145462.db2.gz ANSMDVZIPWHZDD-PBHICJAKSA-N 1 1 368.455 2.260 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589493475 672529025 /nfs/dbraw/zinc/52/90/25/672529025.db2.gz CRPGBCHQGMNWSF-CYBMUJFWSA-N 1 1 350.371 2.157 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589493475 672529026 /nfs/dbraw/zinc/52/90/26/672529026.db2.gz CRPGBCHQGMNWSF-CYBMUJFWSA-N 1 1 350.371 2.157 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000589510782 672529794 /nfs/dbraw/zinc/52/97/94/672529794.db2.gz SKHBIEVUYOMACT-UHFFFAOYSA-N 1 1 366.439 2.479 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCSC3(CCOCC3)C2)c1 ZINC000589510782 672529798 /nfs/dbraw/zinc/52/97/98/672529798.db2.gz SKHBIEVUYOMACT-UHFFFAOYSA-N 1 1 366.439 2.479 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000589930768 672548806 /nfs/dbraw/zinc/54/88/06/672548806.db2.gz IOWVEDNXOKZCHZ-ZDUSSCGKSA-N 1 1 367.471 2.398 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cc([N+](=O)[O-])c1C ZINC000590539732 672588095 /nfs/dbraw/zinc/58/80/95/672588095.db2.gz ZRPUKSWZQXDMCX-ZIAGYGMSSA-N 1 1 351.378 2.170 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565850 672590316 /nfs/dbraw/zinc/59/03/16/672590316.db2.gz RLHLYXCWGVHNLM-ZFWWWQNUSA-N 1 1 353.806 2.183 20 5 FEBDMO CCOc1cc(NC[C@@H]2CCC[N@H+](CC(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000590567653 672590428 /nfs/dbraw/zinc/59/04/28/672590428.db2.gz FTOSQPMUKRRCQZ-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOc1cc(NC[C@@H]2CCC[N@@H+](CC(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000590567653 672590429 /nfs/dbraw/zinc/59/04/29/672590429.db2.gz FTOSQPMUKRRCQZ-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000590759731 672612855 /nfs/dbraw/zinc/61/28/55/672612855.db2.gz LCZNDZKPVRCIBQ-KRWDZBQOSA-N 1 1 368.455 2.264 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 ZINC000590759731 672612858 /nfs/dbraw/zinc/61/28/58/672612858.db2.gz LCZNDZKPVRCIBQ-KRWDZBQOSA-N 1 1 368.455 2.264 20 5 FEBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611513843 676041899 /nfs/dbraw/zinc/04/18/99/676041899.db2.gz MXOWODYPZLWHJG-NSHDSACASA-N 1 1 355.341 2.410 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)n1 ZINC000611576184 676045147 /nfs/dbraw/zinc/04/51/47/676045147.db2.gz ODLSYUNTJPYDME-ZDUSSCGKSA-N 1 1 358.320 2.217 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2)C[C@H](O)C(F)(F)F)n1 ZINC000611576184 676045148 /nfs/dbraw/zinc/04/51/48/676045148.db2.gz ODLSYUNTJPYDME-ZDUSSCGKSA-N 1 1 358.320 2.217 20 5 FEBDMO CC(C)([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000592365363 672792149 /nfs/dbraw/zinc/79/21/49/672792149.db2.gz PNDVNQNLFPNKFS-UHFFFAOYSA-N 1 1 367.402 2.406 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)CC1 ZINC000594473427 673080235 /nfs/dbraw/zinc/08/02/35/673080235.db2.gz CIFMKIKGCSVPNN-UHFFFAOYSA-N 1 1 371.459 2.098 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594483456 673087179 /nfs/dbraw/zinc/08/71/79/673087179.db2.gz KVGLFKPXVKGNAN-IRXDYDNUSA-N 1 1 367.471 2.074 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594483753 673088042 /nfs/dbraw/zinc/08/80/42/673088042.db2.gz PEBSZJHJPCASEI-HOTGVXAUSA-N 1 1 353.444 2.031 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000594789657 673142928 /nfs/dbraw/zinc/14/29/28/673142928.db2.gz JLZWHIJASOWPEY-NSHDSACASA-N 1 1 359.423 2.133 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000594793040 673144653 /nfs/dbraw/zinc/14/46/53/673144653.db2.gz SSFMCAHXRXWEFD-LBPRGKRZSA-N 1 1 371.459 2.002 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594853975 673164415 /nfs/dbraw/zinc/16/44/15/673164415.db2.gz BZCAXDBSOMFSIH-OAHLLOKOSA-N 1 1 367.471 2.421 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000594854674 673165512 /nfs/dbraw/zinc/16/55/12/673165512.db2.gz VGFVTSOXPWAHLQ-ZDUSSCGKSA-N 1 1 353.444 2.280 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595409661 673245382 /nfs/dbraw/zinc/24/53/82/673245382.db2.gz FMNNHMUDPJJDHB-OAHLLOKOSA-N 1 1 367.471 2.304 20 5 FEBDMO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595414530 673246991 /nfs/dbraw/zinc/24/69/91/673246991.db2.gz LFCXCRZYBJZYOF-NSHDSACASA-N 1 1 367.402 2.493 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+](C)[C@@H](C)CC ZINC000596107546 673359251 /nfs/dbraw/zinc/35/92/51/673359251.db2.gz YBRSXENBOVSPIW-ZDUSSCGKSA-N 1 1 372.491 2.425 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000732568061 673372391 /nfs/dbraw/zinc/37/23/91/673372391.db2.gz HQPGGIMEZDZYRF-LBPRGKRZSA-N 1 1 352.391 2.446 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000537824286 673409739 /nfs/dbraw/zinc/40/97/39/673409739.db2.gz NOGYVINPTYHXKT-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000537824286 673409740 /nfs/dbraw/zinc/40/97/40/673409740.db2.gz NOGYVINPTYHXKT-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000539370602 673486141 /nfs/dbraw/zinc/48/61/41/673486141.db2.gz ORVSJNGDKPNVFK-FTJNGKRUSA-N 1 1 361.423 2.282 20 5 FEBDMO Nc1c(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000598220070 673549641 /nfs/dbraw/zinc/54/96/41/673549641.db2.gz OVICKLZBEXGGHD-LBPRGKRZSA-N 1 1 350.394 2.453 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1 ZINC000541378852 673551735 /nfs/dbraw/zinc/55/17/35/673551735.db2.gz SBRIHWYODRBTST-LBPRGKRZSA-N 1 1 364.370 2.253 20 5 FEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])C1 ZINC000598343059 673561318 /nfs/dbraw/zinc/56/13/18/673561318.db2.gz PZWZYDQDKCWVPM-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c(C)c1[N+](=O)[O-] ZINC000598611615 673590197 /nfs/dbraw/zinc/59/01/97/673590197.db2.gz UJDVRISTVUVDFR-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598613927 673590848 /nfs/dbraw/zinc/59/08/48/673590848.db2.gz ZVTCWBCAYFIKEG-JSGCOSHPSA-N 1 1 355.460 2.315 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000543182780 673631405 /nfs/dbraw/zinc/63/14/05/673631405.db2.gz XWRBVTKJIHCTFR-NDMJEZRESA-N 1 1 358.341 2.408 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000543182782 673631488 /nfs/dbraw/zinc/63/14/88/673631488.db2.gz XWRBVTKJIHCTFR-XHVZSJERSA-N 1 1 358.341 2.408 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599390238 673667910 /nfs/dbraw/zinc/66/79/10/673667910.db2.gz IOGGYSWMLPGZOD-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000599464619 673678563 /nfs/dbraw/zinc/67/85/63/673678563.db2.gz OKJPUZUKDCTIOW-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000600213991 673749661 /nfs/dbraw/zinc/74/96/61/673749661.db2.gz SKUUIMCLIMSXCK-OAHLLOKOSA-N 1 1 369.487 2.479 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCCC[C@H]2C2OCCO2)c([N+](=O)[O-])c1 ZINC000743846734 673773627 /nfs/dbraw/zinc/77/36/27/673773627.db2.gz VRBDDGMUYBAIOP-AWEZNQCLSA-N 1 1 352.387 2.210 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2C2OCCO2)c([N+](=O)[O-])c1 ZINC000743846734 673773629 /nfs/dbraw/zinc/77/36/29/673773629.db2.gz VRBDDGMUYBAIOP-AWEZNQCLSA-N 1 1 352.387 2.210 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601360306 673848100 /nfs/dbraw/zinc/84/81/00/673848100.db2.gz ZOCGDGMQDRZREL-LBPRGKRZSA-N 1 1 361.489 2.317 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375553 673851172 /nfs/dbraw/zinc/85/11/72/673851172.db2.gz XPJRTNURKPBGLM-JSGCOSHPSA-N 1 1 371.434 2.147 20 5 FEBDMO COc1cccc(C)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000602617158 673908676 /nfs/dbraw/zinc/90/86/76/673908676.db2.gz XRTDXEVKDCURSR-UHFFFAOYSA-N 1 1 364.423 2.475 20 5 FEBDMO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1(CO)CCOCC1 ZINC000602715818 673910370 /nfs/dbraw/zinc/91/03/70/673910370.db2.gz OREUEJFFUZZTJT-UHFFFAOYSA-N 1 1 365.249 2.392 20 5 FEBDMO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C1(CO)CCOCC1 ZINC000602715818 673910373 /nfs/dbraw/zinc/91/03/73/673910373.db2.gz OREUEJFFUZZTJT-UHFFFAOYSA-N 1 1 365.249 2.392 20 5 FEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000602744204 673910677 /nfs/dbraw/zinc/91/06/77/673910677.db2.gz XGIWLZVCEGRUQS-UHFFFAOYSA-N 1 1 353.304 2.382 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000603121117 673917749 /nfs/dbraw/zinc/91/77/49/673917749.db2.gz YCPLHZQESFWOGJ-CABCVRRESA-N 1 1 367.833 2.477 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCC[N@H+](CCCO)C1 ZINC000821051336 675409553 /nfs/dbraw/zinc/40/95/53/675409553.db2.gz AODNBYNCSWHYKQ-ZDUSSCGKSA-N 1 1 369.849 2.144 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000827291836 675745953 /nfs/dbraw/zinc/74/59/53/675745953.db2.gz XHEDFCDQPIWSDH-GWCFXTLKSA-N 1 1 355.341 2.362 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000618068310 676318180 /nfs/dbraw/zinc/31/81/80/676318180.db2.gz QEXBFCGUCCYLKC-HNNXBMFYSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000618068310 676318181 /nfs/dbraw/zinc/31/81/81/676318181.db2.gz QEXBFCGUCCYLKC-HNNXBMFYSA-N 1 1 353.444 2.198 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619251978 676369048 /nfs/dbraw/zinc/36/90/48/676369048.db2.gz DBLDETYJRMFCOW-GJZGRUSLSA-N 1 1 355.797 2.435 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000619498492 676381905 /nfs/dbraw/zinc/38/19/05/676381905.db2.gz MRKOBBUYQYPGMK-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO CN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830150774 677027622 /nfs/dbraw/zinc/02/76/22/677027622.db2.gz NFVIVXVSIWNVHQ-QMMMGPOBSA-N 1 1 368.242 2.274 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NCC[NH+]2CCSCC2)cc1Cl ZINC000765501195 680844267 /nfs/dbraw/zinc/84/42/67/680844267.db2.gz CSLBXBCTEDBEEO-UHFFFAOYSA-N 1 1 359.835 2.496 20 5 FEBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020140713 680100950 /nfs/dbraw/zinc/10/09/50/680100950.db2.gz VKERKRQCXXJMJN-AAVRWANBSA-N 1 1 357.332 2.107 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000752234501 680231243 /nfs/dbraw/zinc/23/12/43/680231243.db2.gz IJLISLBOKIKLHE-STQMWFEESA-N 1 1 373.862 2.462 20 5 FEBDMO COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)ccc1Cl ZINC000996428876 680332231 /nfs/dbraw/zinc/33/22/31/680332231.db2.gz KGOZTFFUUYUXMI-UKRRQHHQSA-N 1 1 367.833 2.094 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1cccc([N+](=O)[O-])c1Cl ZINC000836599891 680487910 /nfs/dbraw/zinc/48/79/10/680487910.db2.gz NXCDEPPRRCFAMF-NSHDSACASA-N 1 1 356.810 2.217 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1Cl ZINC000836864579 680524937 /nfs/dbraw/zinc/52/49/37/680524937.db2.gz KYNXTUSOPKHSLV-TXEJJXNPSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1Cl ZINC000836864579 680524941 /nfs/dbraw/zinc/52/49/41/680524941.db2.gz KYNXTUSOPKHSLV-TXEJJXNPSA-N 1 1 355.822 2.084 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844373379 681055087 /nfs/dbraw/zinc/05/50/87/681055087.db2.gz LKHFFUOXIAUXNP-INIZCTEOSA-N 1 1 350.806 2.428 20 5 FEBDMO O=C(N1CC[C@@H]([NH+]2CC=CC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584359 681583694 /nfs/dbraw/zinc/58/36/94/681583694.db2.gz VZMWXQCOGXNSJD-CYBMUJFWSA-N 1 1 353.325 2.039 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778320206 681597024 /nfs/dbraw/zinc/59/70/24/681597024.db2.gz RRYWZGOHNYALOZ-LLVKDONJSA-N 1 1 363.443 2.307 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000779872328 681762876 /nfs/dbraw/zinc/76/28/76/681762876.db2.gz AUGIMJHGODDDGE-NWDGAFQWSA-N 1 1 373.862 2.462 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000779872331 681762932 /nfs/dbraw/zinc/76/29/32/681762932.db2.gz AUGIMJHGODDDGE-RYUDHWBXSA-N 1 1 373.862 2.462 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000913692974 685482384 /nfs/dbraw/zinc/48/23/84/685482384.db2.gz IVMJPHDUNKCJTC-UHFFFAOYSA-N 1 1 369.849 2.477 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000851894620 682180041 /nfs/dbraw/zinc/18/00/41/682180041.db2.gz MTSSKUNEBDNCCK-LBPRGKRZSA-N 1 1 359.473 2.057 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000784719464 682248554 /nfs/dbraw/zinc/24/85/54/682248554.db2.gz ASRDQWQLFGDBAA-DGCLKSJQSA-N 1 1 373.450 2.441 20 5 FEBDMO C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000918351741 685538579 /nfs/dbraw/zinc/53/85/79/685538579.db2.gz NNNBOSSNAVYKKR-GASCZTMLSA-N 1 1 373.862 2.211 20 5 FEBDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000785730704 682320849 /nfs/dbraw/zinc/32/08/49/682320849.db2.gz NSWJZRPYOQPUHR-GHMZBOCLSA-N 1 1 353.350 2.088 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)cc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000853966387 682495419 /nfs/dbraw/zinc/49/54/19/682495419.db2.gz UADPINKTWNCMPS-CYBMUJFWSA-N 1 1 370.247 2.393 20 5 FEBDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859532092 683124386 /nfs/dbraw/zinc/12/43/86/683124386.db2.gz UMMLHIWDQTUWGI-OAHLLOKOSA-N 1 1 353.419 2.475 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798228007 683325334 /nfs/dbraw/zinc/32/53/34/683325334.db2.gz CZMMRTLGEMAFQZ-SECBINFHSA-N 1 1 367.830 2.396 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000920597778 683354323 /nfs/dbraw/zinc/35/43/23/683354323.db2.gz AMVDPTMFDAKZAM-GDBMZVCRSA-N 1 1 364.471 2.016 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928080835 683373614 /nfs/dbraw/zinc/37/36/14/683373614.db2.gz QNSPRGUWAASWMZ-GXTWGEPZSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928080835 683373621 /nfs/dbraw/zinc/37/36/21/683373621.db2.gz QNSPRGUWAASWMZ-GXTWGEPZSA-N 1 1 353.419 2.352 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928093144 683383143 /nfs/dbraw/zinc/38/31/43/683383143.db2.gz LHLGNXMNNHDKFN-IUODEOHRSA-N 1 1 360.439 2.386 20 5 FEBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347727 683394827 /nfs/dbraw/zinc/39/48/27/683394827.db2.gz LLBCLLOYGWXQHN-PLQHRBFRSA-N 1 1 354.378 2.490 20 5 FEBDMO C[C@H]1[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000928440926 683451624 /nfs/dbraw/zinc/45/16/24/683451624.db2.gz ODASTVMLOFCCSM-ZANVPECISA-N 1 1 356.220 2.109 20 5 FEBDMO C[N@@H+]1CC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000928560520 683471716 /nfs/dbraw/zinc/47/17/16/683471716.db2.gz XHJRLKVELLGDOA-QMMMGPOBSA-N 1 1 362.611 2.445 20 5 FEBDMO C[N@H+]1CC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000928560520 683471717 /nfs/dbraw/zinc/47/17/17/683471717.db2.gz XHJRLKVELLGDOA-QMMMGPOBSA-N 1 1 362.611 2.445 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000863498344 683734681 /nfs/dbraw/zinc/73/46/81/683734681.db2.gz HAPZSGDADIXNTJ-GFCCVEGCSA-N 1 1 357.357 2.415 20 5 FEBDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340983 684093201 /nfs/dbraw/zinc/09/32/01/684093201.db2.gz JJXIRYJJRMBRSC-HUUCEWRRSA-N 1 1 352.454 2.281 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000867426861 684277006 /nfs/dbraw/zinc/27/70/06/684277006.db2.gz YILKUFUPPXFDPH-CQSZACIVSA-N 1 1 373.862 2.271 20 5 FEBDMO COC(=O)C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000932112752 684409866 /nfs/dbraw/zinc/40/98/66/684409866.db2.gz XQPJCYAWZSCGCG-VXGBXAGGSA-N 1 1 350.371 2.092 20 5 FEBDMO COC(=O)C[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000932112752 684409869 /nfs/dbraw/zinc/40/98/69/684409869.db2.gz XQPJCYAWZSCGCG-VXGBXAGGSA-N 1 1 350.371 2.092 20 5 FEBDMO O=C1N(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000872720208 685008449 /nfs/dbraw/zinc/00/84/49/685008449.db2.gz JSYIGMYEOMDFCW-KBPBESRZSA-N 1 1 362.455 2.479 20 5 FEBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)CC2 ZINC000911475092 685214986 /nfs/dbraw/zinc/21/49/86/685214986.db2.gz QKPPPKUBPJWFMI-JTQLQIEISA-N 1 1 350.325 2.257 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000875134091 685738682 /nfs/dbraw/zinc/73/86/82/685738682.db2.gz QZSAEDICUFAIMS-UHFFFAOYSA-N 1 1 350.419 2.229 20 5 FEBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481811 686387554 /nfs/dbraw/zinc/38/75/54/686387554.db2.gz SXRAFDXKZMTDTP-HOTGVXAUSA-N 1 1 352.431 2.057 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000878682918 686634040 /nfs/dbraw/zinc/63/40/40/686634040.db2.gz QLVDIRHYAPEEQB-CABCVRRESA-N 1 1 350.419 2.107 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000879565649 686858229 /nfs/dbraw/zinc/85/82/29/686858229.db2.gz PNUAFXJQQMVYHO-QWHCGFSZSA-N 1 1 356.469 2.053 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000879565649 686858237 /nfs/dbraw/zinc/85/82/37/686858237.db2.gz PNUAFXJQQMVYHO-QWHCGFSZSA-N 1 1 356.469 2.053 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881282421 687121683 /nfs/dbraw/zinc/12/16/83/687121683.db2.gz ILSUBDFJUVRKHI-UHFFFAOYSA-N 1 1 365.821 2.153 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884949579 687971796 /nfs/dbraw/zinc/97/17/96/687971796.db2.gz GTLNJZVOMGSCPG-UONOGXRCSA-N 1 1 353.444 2.062 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000885855125 688169693 /nfs/dbraw/zinc/16/96/93/688169693.db2.gz JQFDEKIHYGYDDI-CYBMUJFWSA-N 1 1 353.806 2.231 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000888281001 688576437 /nfs/dbraw/zinc/57/64/37/688576437.db2.gz JZQXBEGHSCGWBD-TXEJJXNPSA-N 1 1 370.837 2.475 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000888281001 688576440 /nfs/dbraw/zinc/57/64/40/688576440.db2.gz JZQXBEGHSCGWBD-TXEJJXNPSA-N 1 1 370.837 2.475 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000888287070 688577748 /nfs/dbraw/zinc/57/77/48/688577748.db2.gz UBPISWVGJSIBFI-LLVKDONJSA-N 1 1 356.810 2.399 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1Cl ZINC000889752017 688817379 /nfs/dbraw/zinc/81/73/79/688817379.db2.gz UBPPJLDUVDGNRZ-HUUCEWRRSA-N 1 1 367.833 2.228 20 5 FEBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892792896 689244500 /nfs/dbraw/zinc/24/45/00/689244500.db2.gz IUQGGHCSXUSJPK-OAHLLOKOSA-N 1 1 368.865 2.281 20 5 FEBDMO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000892792896 689244506 /nfs/dbraw/zinc/24/45/06/689244506.db2.gz IUQGGHCSXUSJPK-OAHLLOKOSA-N 1 1 368.865 2.281 20 5 FEBDMO O=[N+]([O-])c1ccc2nc(NCC[N@@H+]3CCC4(C3)OCCO4)sc2c1 ZINC000895253306 689685111 /nfs/dbraw/zinc/68/51/11/689685111.db2.gz AEPUTZRZYHSHDW-UHFFFAOYSA-N 1 1 350.400 2.065 20 5 FEBDMO O=[N+]([O-])c1ccc2nc(NCC[N@H+]3CCC4(C3)OCCO4)sc2c1 ZINC000895253306 689685114 /nfs/dbraw/zinc/68/51/14/689685114.db2.gz AEPUTZRZYHSHDW-UHFFFAOYSA-N 1 1 350.400 2.065 20 5 FEBDMO C[C@@H]1[C@@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[N@@H+]1C ZINC000895741024 689764239 /nfs/dbraw/zinc/76/42/39/689764239.db2.gz WQXBOZUGVGWIPQ-MFKMUULPSA-N 1 1 363.805 2.299 20 5 FEBDMO C[C@@H]1[C@@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[N@H+]1C ZINC000895741024 689764245 /nfs/dbraw/zinc/76/42/45/689764245.db2.gz WQXBOZUGVGWIPQ-MFKMUULPSA-N 1 1 363.805 2.299 20 5 FEBDMO CN(c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1)S(C)(=O)=O ZINC000898283932 690154250 /nfs/dbraw/zinc/15/42/50/690154250.db2.gz FLLTYUPLUCNWSG-UHFFFAOYSA-N 1 1 367.402 2.420 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000898422924 690180117 /nfs/dbraw/zinc/18/01/17/690180117.db2.gz NWZQIHPINKQZGW-DYVFJYSZSA-N 1 1 366.439 2.332 20 5 FEBDMO O=[N+]([O-])c1ccc(NC(=S)NC[C@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000899600832 690385445 /nfs/dbraw/zinc/38/54/45/690385445.db2.gz CFVVLVYEBGQYJR-OAHLLOKOSA-N 1 1 350.444 2.135 20 5 FEBDMO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903200774 690865697 /nfs/dbraw/zinc/86/56/97/690865697.db2.gz UCYWGFQLHTZGHV-VIFPVBQESA-N 1 1 370.349 2.231 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC12CCCCC2 ZINC000908570730 691700300 /nfs/dbraw/zinc/70/03/00/691700300.db2.gz LPDULUPIMIYCJA-UHFFFAOYSA-N 1 1 350.394 2.407 20 5 FEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(C)c1[N+](=O)[O-])C2 ZINC001164813583 720088386 /nfs/dbraw/zinc/08/83/86/720088386.db2.gz TYCSHDPPJKJERR-QFBILLFUSA-N 1 1 360.458 2.483 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164930999 721889160 /nfs/dbraw/zinc/88/91/60/721889160.db2.gz DYLNFQHOSTXXTN-QZTJIDSGSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164930999 721889164 /nfs/dbraw/zinc/88/91/64/721889164.db2.gz DYLNFQHOSTXXTN-QZTJIDSGSA-N 1 1 355.442 2.358 20 5 FEBDMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000041716686 540031003 /nfs/dbraw/zinc/03/10/03/540031003.db2.gz NWGCFWCUCCOHHC-UHFFFAOYSA-N 1 1 356.810 2.033 20 5 FEBDMO Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000047744829 540327008 /nfs/dbraw/zinc/32/70/08/540327008.db2.gz USJFWCUBNPVWMV-LJQANCHMSA-N 1 1 371.437 2.465 20 5 FEBDMO C[N@@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000052795263 540489378 /nfs/dbraw/zinc/48/93/78/540489378.db2.gz CXUXJRMGTLUJJW-UHFFFAOYSA-N 1 1 363.439 2.395 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000052931258 540500479 /nfs/dbraw/zinc/50/04/79/540500479.db2.gz NNOBVHMWEZMLAC-OAHLLOKOSA-N 1 1 374.441 2.162 20 5 FEBDMO COCCC[N@H+](CCOC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054365622 540586448 /nfs/dbraw/zinc/58/64/48/540586448.db2.gz IIFUAWDAUJBDEW-UHFFFAOYSA-N 1 1 350.375 2.130 20 5 FEBDMO COCCC[N@@H+](CCOC)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000054365622 540586453 /nfs/dbraw/zinc/58/64/53/540586453.db2.gz IIFUAWDAUJBDEW-UHFFFAOYSA-N 1 1 350.375 2.130 20 5 FEBDMO O=C(c1ccoc1)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000055059802 540625066 /nfs/dbraw/zinc/62/50/66/540625066.db2.gz SGVHTZIJYPUIDC-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO O=C(c1ccoc1)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000055059802 540625069 /nfs/dbraw/zinc/62/50/69/540625069.db2.gz SGVHTZIJYPUIDC-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000060318551 540871017 /nfs/dbraw/zinc/87/10/17/540871017.db2.gz RHMLPVISPVYVOA-QGZVFWFLSA-N 1 1 371.441 2.271 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000062120949 541145278 /nfs/dbraw/zinc/14/52/78/541145278.db2.gz RVGUJJVWMJRMLO-OCCSQVGLSA-N 1 1 362.430 2.078 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000063490046 541170568 /nfs/dbraw/zinc/17/05/68/541170568.db2.gz CDQYWWZGWYUPIO-LBPRGKRZSA-N 1 1 351.403 2.072 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000063595667 541174868 /nfs/dbraw/zinc/17/48/68/541174868.db2.gz CUMCBNLWKBFPIT-OAHLLOKOSA-N 1 1 355.398 2.193 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000063694937 541179496 /nfs/dbraw/zinc/17/94/96/541179496.db2.gz SUSWPEQFEVFWAJ-CQSZACIVSA-N 1 1 372.429 2.026 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000065674860 541252167 /nfs/dbraw/zinc/25/21/67/541252167.db2.gz ZDRMXGGLAYCDLY-STQMWFEESA-N 1 1 363.414 2.216 20 5 FEBDMO CC(C)[C@H]1C(=O)NCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000066498370 541328569 /nfs/dbraw/zinc/32/85/69/541328569.db2.gz MCZBFNXUMHFODE-KRWDZBQOSA-N 1 1 358.398 2.249 20 5 FEBDMO CC(C)[C@H]1C(=O)NCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000066498370 541328576 /nfs/dbraw/zinc/32/85/76/541328576.db2.gz MCZBFNXUMHFODE-KRWDZBQOSA-N 1 1 358.398 2.249 20 5 FEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[N@H+]1CCC[C@H](C)C1 ZINC000066614312 541347077 /nfs/dbraw/zinc/34/70/77/541347077.db2.gz NZTYZPMOXMLUQV-STQMWFEESA-N 1 1 363.414 2.216 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069440075 541687206 /nfs/dbraw/zinc/68/72/06/541687206.db2.gz KEQOGBVAJAOZAR-CQSZACIVSA-N 1 1 350.419 2.005 20 5 FEBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069710598 541706993 /nfs/dbraw/zinc/70/69/93/541706993.db2.gz XZFYRYODILZQDA-AWEZNQCLSA-N 1 1 372.425 2.261 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000072560413 541831874 /nfs/dbraw/zinc/83/18/74/541831874.db2.gz JVDBMJRCRNQRPD-PKOBYXMFSA-N 1 1 367.409 2.059 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000072560413 541831880 /nfs/dbraw/zinc/83/18/80/541831880.db2.gz JVDBMJRCRNQRPD-PKOBYXMFSA-N 1 1 367.409 2.059 20 5 FEBDMO CN(CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000074324099 542070044 /nfs/dbraw/zinc/07/00/44/542070044.db2.gz HMLQOTSJLMHSKR-INIZCTEOSA-N 1 1 360.458 2.221 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000075655939 542195693 /nfs/dbraw/zinc/19/56/93/542195693.db2.gz CTGUJGXIYTWYFA-INIZCTEOSA-N 1 1 363.439 2.484 20 5 FEBDMO Cc1c(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000076639275 542303435 /nfs/dbraw/zinc/30/34/35/542303435.db2.gz NGMRLAFYGLMGEX-HNNXBMFYSA-N 1 1 374.441 2.222 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078506415 542464675 /nfs/dbraw/zinc/46/46/75/542464675.db2.gz LZXIRPLYDPHUMH-MRXNPFEDSA-N 1 1 354.410 2.404 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c([N+](=O)[O-])cc1OC ZINC000092070221 542842868 /nfs/dbraw/zinc/84/28/68/542842868.db2.gz PKAWORDLIJRCSS-CYBMUJFWSA-N 1 1 361.402 2.116 20 5 FEBDMO CCc1nn(C)c(NCc2ccc(C[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000092827281 542889841 /nfs/dbraw/zinc/88/98/41/542889841.db2.gz HTYQNQJVKYKMBC-UHFFFAOYSA-N 1 1 359.430 2.335 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1F ZINC000093019928 542902621 /nfs/dbraw/zinc/90/26/21/542902621.db2.gz WTCJZBAIHSMYPP-JSGCOSHPSA-N 1 1 371.434 2.147 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000101956972 543052008 /nfs/dbraw/zinc/05/20/08/543052008.db2.gz MNAIRSKYJQIYSD-UHFFFAOYSA-N 1 1 357.414 2.209 20 5 FEBDMO Cc1c(C(=O)NCC[N@H+](C)C2CCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104575187 543134577 /nfs/dbraw/zinc/13/45/77/543134577.db2.gz KVBSTBIKKIYGPA-UHFFFAOYSA-N 1 1 350.375 2.416 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000104652424 543136329 /nfs/dbraw/zinc/13/63/29/543136329.db2.gz WBIXHTBSAUWJOV-UHFFFAOYSA-N 1 1 371.441 2.223 20 5 FEBDMO CC(C)(C)c1ccc(C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000106401083 543228615 /nfs/dbraw/zinc/22/86/15/543228615.db2.gz DXFJRNGFXCQSAJ-UHFFFAOYSA-N 1 1 363.458 2.421 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000106864457 543250471 /nfs/dbraw/zinc/25/04/71/543250471.db2.gz FAKFZRXLOMVLEM-IUODEOHRSA-N 1 1 351.403 2.167 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@@H]1CC[N@H+](CCF)C1 ZINC000802241406 674172807 /nfs/dbraw/zinc/17/28/07/674172807.db2.gz MZEOFEPAMHLXKT-CYBMUJFWSA-N 1 1 355.322 2.023 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802241406 674172809 /nfs/dbraw/zinc/17/28/09/674172809.db2.gz MZEOFEPAMHLXKT-CYBMUJFWSA-N 1 1 355.322 2.023 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000110347762 543355968 /nfs/dbraw/zinc/35/59/68/543355968.db2.gz UWQKUFOUIXNSCX-CQSZACIVSA-N 1 1 373.457 2.435 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H](C)O1 ZINC000111273392 543391620 /nfs/dbraw/zinc/39/16/20/543391620.db2.gz ITQQMGXPWHERPN-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO COC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000112986737 543470817 /nfs/dbraw/zinc/47/08/17/543470817.db2.gz XAKVXQOKICOYKE-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000115586389 543576110 /nfs/dbraw/zinc/57/61/10/543576110.db2.gz CXYMERHBWXCNEB-NSHDSACASA-N 1 1 361.851 2.211 20 5 FEBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000123716487 543779305 /nfs/dbraw/zinc/77/93/05/543779305.db2.gz WNOGLJFNWWAWGF-RDJZCZTQSA-N 1 1 374.441 2.023 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000123753875 543781158 /nfs/dbraw/zinc/78/11/58/543781158.db2.gz WVDCCTALYHTELW-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO C[N@@H+](CCCn1ccnc1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000124273656 543811374 /nfs/dbraw/zinc/81/13/74/543811374.db2.gz QERWSUBNFMNYIG-UHFFFAOYSA-N 1 1 351.794 2.405 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000124597415 543831771 /nfs/dbraw/zinc/83/17/71/543831771.db2.gz PBVAHRPQGNPTTP-MJBXVCDLSA-N 1 1 363.418 2.095 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000124597415 543831773 /nfs/dbraw/zinc/83/17/73/543831773.db2.gz PBVAHRPQGNPTTP-MJBXVCDLSA-N 1 1 363.418 2.095 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1cccc(Br)c1 ZINC000125698648 543897067 /nfs/dbraw/zinc/89/70/67/543897067.db2.gz AWDJKYKENQAAOV-AWEZNQCLSA-N 1 1 369.219 2.219 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000129507594 544116234 /nfs/dbraw/zinc/11/62/34/544116234.db2.gz XHSTYPXRUQRAKB-CQSZACIVSA-N 1 1 369.468 2.379 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129857603 544129759 /nfs/dbraw/zinc/12/97/59/544129759.db2.gz BWPKEFIAFDRTAB-QGZVFWFLSA-N 1 1 363.462 2.475 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000131712781 544203106 /nfs/dbraw/zinc/20/31/06/544203106.db2.gz RRAJEAJOGISRTD-OAHLLOKOSA-N 1 1 373.409 2.068 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000134677842 544317869 /nfs/dbraw/zinc/31/78/69/544317869.db2.gz KFBRGDDLVKKVLG-HNNXBMFYSA-N 1 1 372.469 2.433 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H](C)O1 ZINC000247505094 549346792 /nfs/dbraw/zinc/34/67/92/549346792.db2.gz ITQQMGXPWHERPN-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141443577 544413309 /nfs/dbraw/zinc/41/33/09/544413309.db2.gz MCFFARQEAQXONM-INIZCTEOSA-N 1 1 355.398 2.091 20 5 FEBDMO C[N@@H+]1CCC[C@@H]1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000140020052 544406700 /nfs/dbraw/zinc/40/67/00/544406700.db2.gz ZXNKVERWERUOSI-SECBINFHSA-N 1 1 367.349 2.394 20 5 FEBDMO C[N@H+]1CCC[C@@H]1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000140020052 544406702 /nfs/dbraw/zinc/40/67/02/544406702.db2.gz ZXNKVERWERUOSI-SECBINFHSA-N 1 1 367.349 2.394 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000150969003 544492022 /nfs/dbraw/zinc/49/20/22/544492022.db2.gz CZXKBRMWOCJWBU-GXTWGEPZSA-N 1 1 362.386 2.368 20 5 FEBDMO C[NH+](C)CC1CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000151805060 544582457 /nfs/dbraw/zinc/58/24/57/544582457.db2.gz ZWTMZZKXLHZGTM-UHFFFAOYSA-N 1 1 359.423 2.133 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000153193750 544745707 /nfs/dbraw/zinc/74/57/07/544745707.db2.gz IHMVPEHADUSVNT-LLVKDONJSA-N 1 1 370.247 2.358 20 5 FEBDMO CC(C)COC(=O)N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153874452 544834718 /nfs/dbraw/zinc/83/47/18/544834718.db2.gz SZWWHPRUJDDMSS-KRWDZBQOSA-N 1 1 365.430 2.429 20 5 FEBDMO CC(C)COC(=O)N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153874452 544834725 /nfs/dbraw/zinc/83/47/25/544834725.db2.gz SZWWHPRUJDDMSS-KRWDZBQOSA-N 1 1 365.430 2.429 20 5 FEBDMO COC(=O)[C@H](C)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000153762512 544819681 /nfs/dbraw/zinc/81/96/81/544819681.db2.gz ZZVWQNDDBOPHFF-LLVKDONJSA-N 1 1 360.370 2.418 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000153762512 544819684 /nfs/dbraw/zinc/81/96/84/544819684.db2.gz ZZVWQNDDBOPHFF-LLVKDONJSA-N 1 1 360.370 2.418 20 5 FEBDMO CNC(=O)CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000154621249 544929555 /nfs/dbraw/zinc/92/95/55/544929555.db2.gz OAJSZOSTPAWUNN-SNVBAGLBSA-N 1 1 356.810 2.033 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000553249344 674248185 /nfs/dbraw/zinc/24/81/85/674248185.db2.gz FVQKFECNHRKLNV-NSHDSACASA-N 1 1 351.432 2.368 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000553316928 674252684 /nfs/dbraw/zinc/25/26/84/674252684.db2.gz GNTSMPPZTLNHBW-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000553316928 674252685 /nfs/dbraw/zinc/25/26/85/674252685.db2.gz GNTSMPPZTLNHBW-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO CCN1CC[NH+](C[C@@H](C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804357973 674281944 /nfs/dbraw/zinc/28/19/44/674281944.db2.gz SHVSZNRSLYZTAK-ZDUSSCGKSA-N 1 1 351.407 2.189 20 5 FEBDMO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188728196 328107283 /nfs/dbraw/zinc/10/72/83/328107283.db2.gz PDRKUCLAWDZIDC-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188728196 328107284 /nfs/dbraw/zinc/10/72/84/328107284.db2.gz PDRKUCLAWDZIDC-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000188851922 328114336 /nfs/dbraw/zinc/11/43/36/328114336.db2.gz BMNYDANXBJNRDY-CYBMUJFWSA-N 1 1 350.419 2.212 20 5 FEBDMO CCC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000189349151 328142369 /nfs/dbraw/zinc/14/23/69/328142369.db2.gz TXXKCEMYEPDJKG-CYBMUJFWSA-N 1 1 371.459 2.098 20 5 FEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[N@@H+]1CCCOCC1 ZINC000189447507 328148783 /nfs/dbraw/zinc/14/87/83/328148783.db2.gz SYCOWYCHDVYFNZ-UHFFFAOYSA-N 1 1 373.862 2.179 20 5 FEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[N@H+]1CCCOCC1 ZINC000189447507 328148785 /nfs/dbraw/zinc/14/87/85/328148785.db2.gz SYCOWYCHDVYFNZ-UHFFFAOYSA-N 1 1 373.862 2.179 20 5 FEBDMO COc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000190672230 328224005 /nfs/dbraw/zinc/22/40/05/328224005.db2.gz ORGFCLULILNXAD-INIZCTEOSA-N 1 1 358.394 2.401 20 5 FEBDMO CCN(CCC[NH+]1CCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000190974523 328243027 /nfs/dbraw/zinc/24/30/27/328243027.db2.gz OQCJGGDYVLAYSY-UHFFFAOYSA-N 1 1 361.489 2.372 20 5 FEBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191654554 328276187 /nfs/dbraw/zinc/27/61/87/328276187.db2.gz JLZDOHRERADZLF-LJQANCHMSA-N 1 1 361.442 2.357 20 5 FEBDMO CCCn1cc[nH+]c1CCCN(C)c1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000192235127 328308294 /nfs/dbraw/zinc/30/82/94/328308294.db2.gz JJTQMGGEXRHYPV-UHFFFAOYSA-N 1 1 361.402 2.452 20 5 FEBDMO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1Cl ZINC000192568171 328326166 /nfs/dbraw/zinc/32/61/66/328326166.db2.gz HZQOFCOJGCPTNM-AWEZNQCLSA-N 1 1 363.805 2.457 20 5 FEBDMO CCn1cc(C[N@@H+]2CCCN(c3c([N+](=O)[O-])c(C)nn3CC)CC2)cn1 ZINC000192571317 328326544 /nfs/dbraw/zinc/32/65/44/328326544.db2.gz YQKJUAGQJYWZLQ-UHFFFAOYSA-N 1 1 361.450 2.048 20 5 FEBDMO CCn1cc(C[N@H+]2CCCN(c3c([N+](=O)[O-])c(C)nn3CC)CC2)cn1 ZINC000192571317 328326545 /nfs/dbraw/zinc/32/65/45/328326545.db2.gz YQKJUAGQJYWZLQ-UHFFFAOYSA-N 1 1 361.450 2.048 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000192728771 328335676 /nfs/dbraw/zinc/33/56/76/328335676.db2.gz JVRANGXLIICVGB-CVEARBPZSA-N 1 1 359.430 2.167 20 5 FEBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2)N1 ZINC000193470910 328377271 /nfs/dbraw/zinc/37/72/71/328377271.db2.gz VRNNFZPUVNXBCP-GOSISDBHSA-N 1 1 370.365 2.029 20 5 FEBDMO CCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193662229 328388379 /nfs/dbraw/zinc/38/83/79/328388379.db2.gz VTSNCUXUCFFVLG-UHFFFAOYSA-N 1 1 350.375 2.241 20 5 FEBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097447 325159443 /nfs/dbraw/zinc/15/94/43/325159443.db2.gz QWNUONJIFQVPQF-CVEARBPZSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097447 325159446 /nfs/dbraw/zinc/15/94/46/325159446.db2.gz QWNUONJIFQVPQF-CVEARBPZSA-N 1 1 356.444 2.261 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000081360885 325171086 /nfs/dbraw/zinc/17/10/86/325171086.db2.gz WAECEOCYGCKIHB-ZDUSSCGKSA-N 1 1 363.414 2.185 20 5 FEBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000081741177 325195350 /nfs/dbraw/zinc/19/53/50/325195350.db2.gz AZDCXGMMBOLDIX-CYBMUJFWSA-N 1 1 365.405 2.497 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000089152867 325304829 /nfs/dbraw/zinc/30/48/29/325304829.db2.gz FQSRVTVLFDPYED-IRXDYDNUSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000089152867 325304832 /nfs/dbraw/zinc/30/48/32/325304832.db2.gz FQSRVTVLFDPYED-IRXDYDNUSA-N 1 1 363.414 2.112 20 5 FEBDMO O=C(C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)NCc1ccco1 ZINC000237818022 328529995 /nfs/dbraw/zinc/52/99/95/328529995.db2.gz KQJPNUKTANCOQD-UHFFFAOYSA-N 1 1 355.297 2.195 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114710621 325915157 /nfs/dbraw/zinc/91/51/57/325915157.db2.gz VABAZCMKQWAMDE-CQSZACIVSA-N 1 1 369.425 2.233 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000118113022 326081982 /nfs/dbraw/zinc/08/19/82/326081982.db2.gz NQOHYVGTBCKVQW-AWEZNQCLSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000118112788 326082355 /nfs/dbraw/zinc/08/23/55/326082355.db2.gz NEYVLLMOXDKBJO-CQSZACIVSA-N 1 1 362.430 2.078 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000119228064 326139575 /nfs/dbraw/zinc/13/95/75/326139575.db2.gz NHZVMMMTBXKHFP-HNNXBMFYSA-N 1 1 351.403 2.167 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000120167316 326236948 /nfs/dbraw/zinc/23/69/48/326236948.db2.gz JUWQRGRUOHBSGA-GFCCVEGCSA-N 1 1 361.489 2.303 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000120642731 326275358 /nfs/dbraw/zinc/27/53/58/326275358.db2.gz CVHNZUROXVVFND-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])[nH+]1 ZINC000121159271 326317464 /nfs/dbraw/zinc/31/74/64/326317464.db2.gz ROWOUFDFQAIQDA-UHFFFAOYSA-N 1 1 364.427 2.305 20 5 FEBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000121995373 326380039 /nfs/dbraw/zinc/38/00/39/326380039.db2.gz RSSOYNACPGRAAV-UHFFFAOYSA-N 1 1 371.441 2.489 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000133630013 326612116 /nfs/dbraw/zinc/61/21/16/326612116.db2.gz HMRNTMRUALXUAT-OAHLLOKOSA-N 1 1 362.430 2.398 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1 ZINC000159268657 326925094 /nfs/dbraw/zinc/92/50/94/326925094.db2.gz CQUPGYOYRWFNNB-OAHLLOKOSA-N 1 1 365.455 2.257 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCOCC2)cc1OC(F)F ZINC000160407167 326964563 /nfs/dbraw/zinc/96/45/63/326964563.db2.gz YTLUXYUMNLXQKV-ZDUSSCGKSA-N 1 1 357.357 2.497 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162185281 327019012 /nfs/dbraw/zinc/01/90/12/327019012.db2.gz QPZFSFQSUZYHLA-CQSZACIVSA-N 1 1 371.441 2.490 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000164232359 327067003 /nfs/dbraw/zinc/06/70/03/327067003.db2.gz VABKQZMTMSFPDJ-TZMCWYRMSA-N 1 1 362.386 2.368 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCCO1 ZINC000172173151 327185654 /nfs/dbraw/zinc/18/56/54/327185654.db2.gz GWKCFPMULRHLNL-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO Cc1nn(CCC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000172839761 327221647 /nfs/dbraw/zinc/22/16/47/327221647.db2.gz BPEULAAPENANOJ-HNNXBMFYSA-N 1 1 351.451 2.131 20 5 FEBDMO Cc1c(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000173292349 327247626 /nfs/dbraw/zinc/24/76/26/327247626.db2.gz GYGLZDGDOICBSP-MRXNPFEDSA-N 1 1 360.458 2.145 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000173310526 327248987 /nfs/dbraw/zinc/24/89/87/327248987.db2.gz AYCDTIYEMRNKBS-UHFFFAOYSA-N 1 1 366.443 2.475 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000173829670 327287203 /nfs/dbraw/zinc/28/72/03/327287203.db2.gz PAKPJOBDPZFBIK-DZGCQCFKSA-N 1 1 353.444 2.151 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174156531 327309521 /nfs/dbraw/zinc/30/95/21/327309521.db2.gz BMEVGFSINJHDEQ-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174184709 327311232 /nfs/dbraw/zinc/31/12/32/327311232.db2.gz NAUDTCAKHPEGBD-OCCSQVGLSA-N 1 1 350.419 2.228 20 5 FEBDMO COc1cc(OCC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000174201246 327312800 /nfs/dbraw/zinc/31/28/00/327312800.db2.gz BCZCABWGKJRPHN-AGUYFDCRSA-N 1 1 363.414 2.114 20 5 FEBDMO CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@H+]1C[C@@H](C)O ZINC000175303005 327385940 /nfs/dbraw/zinc/38/59/40/327385940.db2.gz QFRJOFGYRUVFQJ-OCCSQVGLSA-N 1 1 350.419 2.212 20 5 FEBDMO Cc1c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000264502224 329030198 /nfs/dbraw/zinc/03/01/98/329030198.db2.gz ILJMEEQLJAHSOF-MRXNPFEDSA-N 1 1 360.458 2.145 20 5 FEBDMO CC(=O)c1ccc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000264570134 329036769 /nfs/dbraw/zinc/03/67/69/329036769.db2.gz WXCIYQHTDKQYHP-KRWDZBQOSA-N 1 1 360.458 2.404 20 5 FEBDMO Cc1ccc(NCCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)[nH+]c1 ZINC000265521371 329135460 /nfs/dbraw/zinc/13/54/60/329135460.db2.gz HWHSXEICQKECJU-UHFFFAOYSA-N 1 1 372.381 2.301 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000265920593 329172806 /nfs/dbraw/zinc/17/28/06/329172806.db2.gz CBNLUQDSGDXNQL-SWLSCSKDSA-N 1 1 353.394 2.301 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000265996229 329179999 /nfs/dbraw/zinc/17/99/99/329179999.db2.gz NNOGVCYCESXVGK-TZMCWYRMSA-N 1 1 365.430 2.414 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000267037920 329285616 /nfs/dbraw/zinc/28/56/16/329285616.db2.gz VDQSAOSKNYNLHN-ZDUSSCGKSA-N 1 1 351.403 2.168 20 5 FEBDMO Cc1cc(N2CCC(Nc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000267342442 329317009 /nfs/dbraw/zinc/31/70/09/329317009.db2.gz DVWCILQEUOYQSG-UHFFFAOYSA-N 1 1 370.413 2.181 20 5 FEBDMO COc1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000269524631 329527875 /nfs/dbraw/zinc/52/78/75/329527875.db2.gz WPALUAOPMFKELV-UHFFFAOYSA-N 1 1 361.402 2.340 20 5 FEBDMO NC(=O)CCC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000271188786 329670772 /nfs/dbraw/zinc/67/07/72/329670772.db2.gz MKYIJMLJBGFPTP-UHFFFAOYSA-N 1 1 359.386 2.122 20 5 FEBDMO C[C@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000279074215 330172924 /nfs/dbraw/zinc/17/29/24/330172924.db2.gz DGQNYTSUNKKFHJ-LLVKDONJSA-N 1 1 373.812 2.014 20 5 FEBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000279075264 330173045 /nfs/dbraw/zinc/17/30/45/330173045.db2.gz UMSQXZSOIGJXIZ-SNVBAGLBSA-N 1 1 363.805 2.320 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000411390704 330257260 /nfs/dbraw/zinc/25/72/60/330257260.db2.gz ARCOFNQLPFOQIT-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000156136434 545601672 /nfs/dbraw/zinc/60/16/72/545601672.db2.gz DKVRURNBZLFZFU-OAHLLOKOSA-N 1 1 372.446 2.070 20 5 FEBDMO CNS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000156136434 545601677 /nfs/dbraw/zinc/60/16/77/545601677.db2.gz DKVRURNBZLFZFU-OAHLLOKOSA-N 1 1 372.446 2.070 20 5 FEBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCC[N@@H+]1CC=CCC1 ZINC000477647662 561150323 /nfs/dbraw/zinc/15/03/23/561150323.db2.gz WEBZVUJPWAQDOY-UHFFFAOYSA-N 1 1 353.806 2.395 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@H+]1C ZINC000158422864 545860068 /nfs/dbraw/zinc/86/00/68/545860068.db2.gz LEVCSZOABGJFSX-UONOGXRCSA-N 1 1 357.414 2.335 20 5 FEBDMO Cc1c(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000478394450 561165789 /nfs/dbraw/zinc/16/57/89/561165789.db2.gz CGKBIHFGMSOBTG-KRWDZBQOSA-N 1 1 364.446 2.059 20 5 FEBDMO Cc1c(CC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000160317531 546029215 /nfs/dbraw/zinc/02/92/15/546029215.db2.gz NZPFTFUFEMMBNP-QGZVFWFLSA-N 1 1 363.458 2.309 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183420 546417482 /nfs/dbraw/zinc/41/74/82/546417482.db2.gz DUUBKWQFYHCVPG-GDBMZVCRSA-N 1 1 364.446 2.374 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000176729812 546480824 /nfs/dbraw/zinc/48/08/24/546480824.db2.gz WMVISJPUKKUFMU-NEPJUHHUSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217278 546572524 /nfs/dbraw/zinc/57/25/24/546572524.db2.gz XPSXTWCAXCLLHS-BXKDBHETSA-N 1 1 362.386 2.475 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177349212 546599289 /nfs/dbraw/zinc/59/92/89/546599289.db2.gz CWSRXBZHISIRJY-WBVHZDCISA-N 1 1 358.442 2.043 20 5 FEBDMO Cc1cc(N2CCC(NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)nc(C)[nH+]1 ZINC000178184522 546754681 /nfs/dbraw/zinc/75/46/81/546754681.db2.gz IXBJCFVGLGRCJK-UHFFFAOYSA-N 1 1 369.425 2.329 20 5 FEBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@H]1CCCC[C@@H]1O ZINC000481357931 561231349 /nfs/dbraw/zinc/23/13/49/561231349.db2.gz HDPXDMUSPLKSNS-CJNGLKHVSA-N 1 1 363.414 2.376 20 5 FEBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178869665 546864300 /nfs/dbraw/zinc/86/43/00/546864300.db2.gz AONLCBVZEBHBBZ-WFASDCNBSA-N 1 1 353.419 2.473 20 5 FEBDMO CNC(=O)C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000481822026 561243177 /nfs/dbraw/zinc/24/31/77/561243177.db2.gz ZQMJNEJGMCYBBM-KRWDZBQOSA-N 1 1 371.393 2.428 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1 ZINC000481960670 561246272 /nfs/dbraw/zinc/24/62/72/561246272.db2.gz DBQGDPCAVATMLR-OAHLLOKOSA-N 1 1 356.430 2.316 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000179950628 547032196 /nfs/dbraw/zinc/03/21/96/547032196.db2.gz LIFYQRNTEHERQC-SNVBAGLBSA-N 1 1 350.293 2.111 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000179950628 547032199 /nfs/dbraw/zinc/03/21/99/547032199.db2.gz LIFYQRNTEHERQC-SNVBAGLBSA-N 1 1 350.293 2.111 20 5 FEBDMO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179951376 547032597 /nfs/dbraw/zinc/03/25/97/547032597.db2.gz VBNWWBXPYTZUAG-CQSZACIVSA-N 1 1 373.365 2.483 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180926414 547211510 /nfs/dbraw/zinc/21/15/10/547211510.db2.gz JETFINKYBOSHCZ-UHFFFAOYSA-N 1 1 350.463 2.061 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000180926414 547211513 /nfs/dbraw/zinc/21/15/13/547211513.db2.gz JETFINKYBOSHCZ-UHFFFAOYSA-N 1 1 350.463 2.061 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000483252717 561271824 /nfs/dbraw/zinc/27/18/24/561271824.db2.gz XNYMHQYKGPNANS-CYBMUJFWSA-N 1 1 372.208 2.387 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181478769 547320840 /nfs/dbraw/zinc/32/08/40/547320840.db2.gz BLWIBNRTBMCNRT-DYVFJYSZSA-N 1 1 365.430 2.415 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181478769 547320844 /nfs/dbraw/zinc/32/08/44/547320844.db2.gz BLWIBNRTBMCNRT-DYVFJYSZSA-N 1 1 365.430 2.415 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181483240 547321907 /nfs/dbraw/zinc/32/19/07/547321907.db2.gz IOWWPAVPKHHNLP-WWGRRREGSA-N 1 1 365.430 2.413 20 5 FEBDMO CNC(=O)C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000483414869 561276625 /nfs/dbraw/zinc/27/66/25/561276625.db2.gz JDMSLRZMIHMPGY-KRWDZBQOSA-N 1 1 370.409 2.025 20 5 FEBDMO COC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000181657898 547354680 /nfs/dbraw/zinc/35/46/80/547354680.db2.gz VOEOUPRCBUXHRI-KRWDZBQOSA-N 1 1 355.394 2.461 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](CCO)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000181964890 547414864 /nfs/dbraw/zinc/41/48/64/547414864.db2.gz QUZZGBZDQDGYER-UHFFFAOYSA-N 1 1 373.409 2.345 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CCO)Cc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000181964890 547414865 /nfs/dbraw/zinc/41/48/65/547414865.db2.gz QUZZGBZDQDGYER-UHFFFAOYSA-N 1 1 373.409 2.345 20 5 FEBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182292813 547468783 /nfs/dbraw/zinc/46/87/83/547468783.db2.gz QTCIURUHDLSIER-CVEARBPZSA-N 1 1 374.441 2.023 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000182984429 547583244 /nfs/dbraw/zinc/58/32/44/547583244.db2.gz HDPRVYLQRCHLAL-CYBMUJFWSA-N 1 1 373.450 2.395 20 5 FEBDMO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183254622 547627950 /nfs/dbraw/zinc/62/79/50/547627950.db2.gz UNZPBTSGVWKVJK-UHFFFAOYSA-N 1 1 362.474 2.279 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183254622 547627953 /nfs/dbraw/zinc/62/79/53/547627953.db2.gz UNZPBTSGVWKVJK-UHFFFAOYSA-N 1 1 362.474 2.279 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183254622 547627957 /nfs/dbraw/zinc/62/79/57/547627957.db2.gz UNZPBTSGVWKVJK-UHFFFAOYSA-N 1 1 362.474 2.279 20 5 FEBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000183602713 547688818 /nfs/dbraw/zinc/68/88/18/547688818.db2.gz SPALLNHMBWVJJQ-UHFFFAOYSA-N 1 1 371.397 2.144 20 5 FEBDMO CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183770024 547717160 /nfs/dbraw/zinc/71/71/60/547717160.db2.gz FWYMMMZQDAZGSC-GOSISDBHSA-N 1 1 370.453 2.353 20 5 FEBDMO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183770024 547717164 /nfs/dbraw/zinc/71/71/64/547717164.db2.gz FWYMMMZQDAZGSC-GOSISDBHSA-N 1 1 370.453 2.353 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183770024 547717169 /nfs/dbraw/zinc/71/71/69/547717169.db2.gz FWYMMMZQDAZGSC-GOSISDBHSA-N 1 1 370.453 2.353 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184132850 547774259 /nfs/dbraw/zinc/77/42/59/547774259.db2.gz YCVOMIXCASILCT-AWEZNQCLSA-N 1 1 355.460 2.279 20 5 FEBDMO CSc1ccc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184325307 547808545 /nfs/dbraw/zinc/80/85/45/547808545.db2.gz OSFIVRPNIUCAMP-CYBMUJFWSA-N 1 1 366.487 2.073 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184650023 547860959 /nfs/dbraw/zinc/86/09/59/547860959.db2.gz XHNFFWSUPRXJIQ-CQSZACIVSA-N 1 1 370.837 2.158 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@@]4(CCOC4)C3)o2)c1 ZINC000185168345 547944860 /nfs/dbraw/zinc/94/48/60/547944860.db2.gz CYCKEPCLLJIOFG-SFHVURJKSA-N 1 1 359.382 2.284 20 5 FEBDMO COc1cnccc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000187117649 548250561 /nfs/dbraw/zinc/25/05/61/548250561.db2.gz OQDSWMJLFOFQLK-LBPRGKRZSA-N 1 1 365.411 2.123 20 5 FEBDMO Cc1c(C(=O)N2CCC[N@H+](C3CC3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000195372174 548631456 /nfs/dbraw/zinc/63/14/56/548631456.db2.gz PWQLGPHYZJHEJG-UHFFFAOYSA-N 1 1 362.386 2.430 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195608416 548654473 /nfs/dbraw/zinc/65/44/73/548654473.db2.gz RPGQRYUEMUPPFH-ZDUSSCGKSA-N 1 1 355.460 2.384 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487759602 561375138 /nfs/dbraw/zinc/37/51/38/561375138.db2.gz TWECRHIWYGKSOK-UHFFFAOYSA-N 1 1 352.398 2.379 20 5 FEBDMO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245442373 548921045 /nfs/dbraw/zinc/92/10/45/548921045.db2.gz HZVSANBWSAYJDT-HUUCEWRRSA-N 1 1 363.462 2.369 20 5 FEBDMO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245442373 548921049 /nfs/dbraw/zinc/92/10/49/548921049.db2.gz HZVSANBWSAYJDT-HUUCEWRRSA-N 1 1 363.462 2.369 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000246256106 549090439 /nfs/dbraw/zinc/09/04/39/549090439.db2.gz SZJZWHPYXWRDBP-ZIAGYGMSSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000246323892 549106055 /nfs/dbraw/zinc/10/60/55/549106055.db2.gz HGMHVINUMXMYCJ-UKRRQHHQSA-N 1 1 363.462 2.363 20 5 FEBDMO CC[N@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488721443 561395280 /nfs/dbraw/zinc/39/52/80/561395280.db2.gz CGFJITWEZUBSIU-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488721443 561395281 /nfs/dbraw/zinc/39/52/81/561395281.db2.gz CGFJITWEZUBSIU-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000246915602 549242253 /nfs/dbraw/zinc/24/22/53/549242253.db2.gz RSSSIKWNZHJXIY-OZVIIMIRSA-N 1 1 351.403 2.023 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248409659 549431275 /nfs/dbraw/zinc/43/12/75/549431275.db2.gz XCDWSPSIAJWYSP-KBPBESRZSA-N 1 1 365.434 2.248 20 5 FEBDMO C[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000248450840 549441136 /nfs/dbraw/zinc/44/11/36/549441136.db2.gz IVXCNSZTVXPZSQ-MRXNPFEDSA-N 1 1 363.458 2.285 20 5 FEBDMO CN1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000248450840 549441141 /nfs/dbraw/zinc/44/11/41/549441141.db2.gz IVXCNSZTVXPZSQ-MRXNPFEDSA-N 1 1 363.458 2.285 20 5 FEBDMO CN1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000248450840 549441144 /nfs/dbraw/zinc/44/11/44/549441144.db2.gz IVXCNSZTVXPZSQ-MRXNPFEDSA-N 1 1 363.458 2.285 20 5 FEBDMO O=C(CC[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000248571814 549460843 /nfs/dbraw/zinc/46/08/43/549460843.db2.gz MIDCTNGZUAXHMG-HUUCEWRRSA-N 1 1 369.418 2.269 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000249053538 549543480 /nfs/dbraw/zinc/54/34/80/549543480.db2.gz ONTCIAYCTFWWRS-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO COCCO[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000249309636 549579799 /nfs/dbraw/zinc/57/97/99/549579799.db2.gz DNGDFSGKFAOREM-SWLSCSKDSA-N 1 1 362.386 2.443 20 5 FEBDMO COCCO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000249309636 549579803 /nfs/dbraw/zinc/57/98/03/549579803.db2.gz DNGDFSGKFAOREM-SWLSCSKDSA-N 1 1 362.386 2.443 20 5 FEBDMO COc1cc(OCC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000250150566 549638502 /nfs/dbraw/zinc/63/85/02/549638502.db2.gz WWCBLXYEEOCTCZ-KBPBESRZSA-N 1 1 365.430 2.219 20 5 FEBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@@H+]1CCO ZINC000490036463 561424948 /nfs/dbraw/zinc/42/49/48/561424948.db2.gz HOGRVGXHOLBSKD-HNNXBMFYSA-N 1 1 372.425 2.072 20 5 FEBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@H+]1CCO ZINC000490036463 561424949 /nfs/dbraw/zinc/42/49/49/561424949.db2.gz HOGRVGXHOLBSKD-HNNXBMFYSA-N 1 1 372.425 2.072 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000490437271 561433065 /nfs/dbraw/zinc/43/30/65/561433065.db2.gz IBVYQAPBCVSIAN-AWEZNQCLSA-N 1 1 367.471 2.231 20 5 FEBDMO CN(C)c1[nH+]cc(CNc2ncc(Br)cc2[N+](=O)[O-])n1C ZINC000268461175 550069991 /nfs/dbraw/zinc/06/99/91/550069991.db2.gz DYZWDJASNYYFFB-UHFFFAOYSA-N 1 1 355.196 2.164 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000269124727 550158254 /nfs/dbraw/zinc/15/82/54/550158254.db2.gz WQDOUARFIWYPJZ-JSGCOSHPSA-N 1 1 363.414 2.168 20 5 FEBDMO C[NH+]1CCC([C@H]2CCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000270281028 550258881 /nfs/dbraw/zinc/25/88/81/550258881.db2.gz VJWSECZLWRNGJY-ZDUSSCGKSA-N 1 1 357.414 2.275 20 5 FEBDMO COCC1(O)CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000270336674 550263031 /nfs/dbraw/zinc/26/30/31/550263031.db2.gz CWYJYFKFAIQMFZ-LBPRGKRZSA-N 1 1 362.386 2.179 20 5 FEBDMO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CC[NH+](C2CCC2)CC1 ZINC000270730010 550301584 /nfs/dbraw/zinc/30/15/84/550301584.db2.gz NIBHZXBQVSWASH-UHFFFAOYSA-N 1 1 355.398 2.091 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C ZINC000270822809 550310768 /nfs/dbraw/zinc/31/07/68/550310768.db2.gz QONZSGBBXJUHSA-UHFFFAOYSA-N 1 1 372.429 2.269 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270912046 550320428 /nfs/dbraw/zinc/32/04/28/550320428.db2.gz OAWWTVQVLSVLID-SWLSCSKDSA-N 1 1 371.397 2.403 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270912046 550320429 /nfs/dbraw/zinc/32/04/29/550320429.db2.gz OAWWTVQVLSVLID-SWLSCSKDSA-N 1 1 371.397 2.403 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272401352 550444298 /nfs/dbraw/zinc/44/42/98/550444298.db2.gz VHFUJDJCVHJAAM-NSHDSACASA-N 1 1 363.443 2.403 20 5 FEBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1O ZINC000273092528 550484540 /nfs/dbraw/zinc/48/45/40/550484540.db2.gz BJARRIOMSMOGKX-CQSZACIVSA-N 1 1 362.382 2.181 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000273402792 550497274 /nfs/dbraw/zinc/49/72/74/550497274.db2.gz PGZLXYINFZJWFB-LZWOXQAQSA-N 1 1 352.431 2.063 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273402789 550497401 /nfs/dbraw/zinc/49/74/01/550497401.db2.gz PGZLXYINFZJWFB-IIAWOOMASA-N 1 1 352.431 2.063 20 5 FEBDMO C[C@H](c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000274978950 550568970 /nfs/dbraw/zinc/56/89/70/550568970.db2.gz LHNNIDDCNRGROF-GFCCVEGCSA-N 1 1 372.381 2.341 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277955733 550732805 /nfs/dbraw/zinc/73/28/05/550732805.db2.gz TTWFQMHGFWNCKK-GFCCVEGCSA-N 1 1 360.418 2.002 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000278632098 550806162 /nfs/dbraw/zinc/80/61/62/550806162.db2.gz OGTYKEJZQQXTJH-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO COc1ccc(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000278784673 550822011 /nfs/dbraw/zinc/82/20/11/550822011.db2.gz LYWOIUJBTBTNNO-UHFFFAOYSA-N 1 1 366.418 2.178 20 5 FEBDMO COc1ccc(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000278784673 550822013 /nfs/dbraw/zinc/82/20/13/550822013.db2.gz LYWOIUJBTBTNNO-UHFFFAOYSA-N 1 1 366.418 2.178 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278808193 550824346 /nfs/dbraw/zinc/82/43/46/550824346.db2.gz OHANMGBMJWEALD-GFCCVEGCSA-N 1 1 350.375 2.193 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000279244619 550869045 /nfs/dbraw/zinc/86/90/45/550869045.db2.gz QUSFNDQYOZCGCG-KGLIPLIRSA-N 1 1 350.394 2.157 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510491 550898280 /nfs/dbraw/zinc/89/82/80/550898280.db2.gz UHFULMJGAREVSF-RISCZKNCSA-N 1 1 352.410 2.212 20 5 FEBDMO O=C(C[N@H+]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000279555550 550902841 /nfs/dbraw/zinc/90/28/41/550902841.db2.gz WYDIOMVHGSXJIY-UHFFFAOYSA-N 1 1 366.849 2.383 20 5 FEBDMO O=C(C[N@@H+]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000279555550 550902843 /nfs/dbraw/zinc/90/28/43/550902843.db2.gz WYDIOMVHGSXJIY-UHFFFAOYSA-N 1 1 366.849 2.383 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1(CCO)CCOCC1 ZINC000495453764 561488420 /nfs/dbraw/zinc/48/84/20/561488420.db2.gz FFQXJRRXOMZANZ-UHFFFAOYSA-N 1 1 371.821 2.050 20 5 FEBDMO C[NH+](C)Cc1ccc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1Cl ZINC000280375725 550986926 /nfs/dbraw/zinc/98/69/26/550986926.db2.gz YPGWFBAXGIDVOJ-UHFFFAOYSA-N 1 1 364.789 2.110 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3C)CC2)n1 ZINC000280676510 551020278 /nfs/dbraw/zinc/02/02/78/551020278.db2.gz DFPGBSXNUPVBJK-UHFFFAOYSA-N 1 1 370.409 2.407 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1C ZINC000497542814 561503514 /nfs/dbraw/zinc/50/35/14/561503514.db2.gz RBGNSGBNCZJVMX-GFCCVEGCSA-N 1 1 355.460 2.222 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497649094 561505553 /nfs/dbraw/zinc/50/55/53/561505553.db2.gz JECBAAFCVNCNOU-LSDHHAIUSA-N 1 1 365.455 2.036 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283032531 551300754 /nfs/dbraw/zinc/30/07/54/551300754.db2.gz HSNIFVCYFSLNIB-INIZCTEOSA-N 1 1 350.438 2.336 20 5 FEBDMO CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000498018563 561513927 /nfs/dbraw/zinc/51/39/27/561513927.db2.gz GPSBYKQYKQVAHE-DOTOQJQBSA-N 1 1 371.441 2.475 20 5 FEBDMO Cc1noc([C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C2CCOCC2)n1 ZINC000498346297 561522952 /nfs/dbraw/zinc/52/29/52/561522952.db2.gz WPYHKSAJBQCVSS-INIZCTEOSA-N 1 1 362.386 2.423 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000284836814 551647113 /nfs/dbraw/zinc/64/71/13/551647113.db2.gz NFCODTQVTLHHQM-DLBZAZTESA-N 1 1 358.398 2.155 20 5 FEBDMO CCOC1CC2(C1)CC[N@@H+]([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000285263659 551728570 /nfs/dbraw/zinc/72/85/70/551728570.db2.gz VKSWMYDAMNPYNT-WUJZJPHMSA-N 1 1 373.409 2.118 20 5 FEBDMO CCOC1CC2(C1)CC[N@H+]([C@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000285263659 551728572 /nfs/dbraw/zinc/72/85/72/551728572.db2.gz VKSWMYDAMNPYNT-WUJZJPHMSA-N 1 1 373.409 2.118 20 5 FEBDMO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000285589985 551779482 /nfs/dbraw/zinc/77/94/82/551779482.db2.gz IPIBMFBTJAJQOG-CMPLNLGQSA-N 1 1 353.325 2.359 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)[S@]1=O ZINC000286205160 551861114 /nfs/dbraw/zinc/86/11/14/551861114.db2.gz YCFZRFOMMSTTDK-FTTUWVIBSA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H](C)[S@]1=O ZINC000286205160 551861116 /nfs/dbraw/zinc/86/11/16/551861116.db2.gz YCFZRFOMMSTTDK-FTTUWVIBSA-N 1 1 367.471 2.463 20 5 FEBDMO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000288635636 552189443 /nfs/dbraw/zinc/18/94/43/552189443.db2.gz TWWAVLCZATXYDN-IINYFYTJSA-N 1 1 367.452 2.241 20 5 FEBDMO CCC[C@]1(CO)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000288915228 552235878 /nfs/dbraw/zinc/23/58/78/552235878.db2.gz UMBUZBVSZAYSFR-KRWDZBQOSA-N 1 1 351.403 2.026 20 5 FEBDMO CCC[C@]1(CO)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000288915228 552235880 /nfs/dbraw/zinc/23/58/80/552235880.db2.gz UMBUZBVSZAYSFR-KRWDZBQOSA-N 1 1 351.403 2.026 20 5 FEBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3C[C@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000289302586 552297862 /nfs/dbraw/zinc/29/78/62/552297862.db2.gz IHXAVJKSHYYURT-YOEHRIQHSA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3C[C@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000289302586 552297863 /nfs/dbraw/zinc/29/78/63/552297863.db2.gz IHXAVJKSHYYURT-YOEHRIQHSA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]3C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000289302586 552297864 /nfs/dbraw/zinc/29/78/64/552297864.db2.gz IHXAVJKSHYYURT-YOEHRIQHSA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2nc([C@@H]3CCC[N@H+]3C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000289302586 552297865 /nfs/dbraw/zinc/29/78/65/552297865.db2.gz IHXAVJKSHYYURT-YOEHRIQHSA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1c(C(=O)Nc2cc[nH+]c(N(C)C)c2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000500409848 561571924 /nfs/dbraw/zinc/57/19/24/561571924.db2.gz JHMUAJGPHUVUQE-UHFFFAOYSA-N 1 1 367.369 2.197 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000500440973 561573107 /nfs/dbraw/zinc/57/31/07/561573107.db2.gz MNOWQEKPIFLBPH-KGLIPLIRSA-N 1 1 371.441 2.372 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000500440973 561573108 /nfs/dbraw/zinc/57/31/08/561573108.db2.gz MNOWQEKPIFLBPH-KGLIPLIRSA-N 1 1 371.441 2.372 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000289793997 552379604 /nfs/dbraw/zinc/37/96/04/552379604.db2.gz MUICLRUESALSTL-AWEZNQCLSA-N 1 1 362.430 2.343 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000289852660 552389178 /nfs/dbraw/zinc/38/91/78/552389178.db2.gz QMYNWXFRWRCDGN-CYBMUJFWSA-N 1 1 364.446 2.466 20 5 FEBDMO C[C@@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000290539502 552495087 /nfs/dbraw/zinc/49/50/87/552495087.db2.gz DYRYQYCZHSHPBG-TZMCWYRMSA-N 1 1 355.398 2.164 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000290924601 552563292 /nfs/dbraw/zinc/56/32/92/552563292.db2.gz MVOUZGOYNYUZIO-GFCCVEGCSA-N 1 1 353.419 2.462 20 5 FEBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])c1cc(C[NH+]2CCCC2)on1 ZINC000290931622 552564181 /nfs/dbraw/zinc/56/41/81/552564181.db2.gz JEZGVVYQFZAMMQ-UHFFFAOYSA-N 1 1 359.386 2.021 20 5 FEBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000290948722 552566980 /nfs/dbraw/zinc/56/69/80/552566980.db2.gz OZCQHMYNRARSEI-SJKOYZFVSA-N 1 1 358.398 2.011 20 5 FEBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000291649460 552647325 /nfs/dbraw/zinc/64/73/25/552647325.db2.gz UNHITOKHBVWVKC-IUODEOHRSA-N 1 1 371.384 2.491 20 5 FEBDMO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1cc(C[NH+]2CCCC2)on1 ZINC000291898287 552672985 /nfs/dbraw/zinc/67/29/85/552672985.db2.gz KVHYAGKUJZRZIU-UHFFFAOYSA-N 1 1 356.342 2.307 20 5 FEBDMO O=C(C[N@@H+]1CCOC[C@H](C2CCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292072478 552690822 /nfs/dbraw/zinc/69/08/22/552690822.db2.gz DTDCPTIYPSUVDI-MRXNPFEDSA-N 1 1 359.426 2.232 20 5 FEBDMO O=C(C[N@H+]1CCOC[C@H](C2CCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000292072478 552690823 /nfs/dbraw/zinc/69/08/23/552690823.db2.gz DTDCPTIYPSUVDI-MRXNPFEDSA-N 1 1 359.426 2.232 20 5 FEBDMO C[C@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1ccccc1[N+](=O)[O-] ZINC000293059443 552784783 /nfs/dbraw/zinc/78/47/83/552784783.db2.gz RQTOZLPVLNIYED-HNNXBMFYSA-N 1 1 365.478 2.181 20 5 FEBDMO C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000293059443 552784784 /nfs/dbraw/zinc/78/47/84/552784784.db2.gz RQTOZLPVLNIYED-HNNXBMFYSA-N 1 1 365.478 2.181 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000501618526 561602368 /nfs/dbraw/zinc/60/23/68/561602368.db2.gz JHFCNGRSPZOSOE-UONOGXRCSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000501618526 561602369 /nfs/dbraw/zinc/60/23/69/561602369.db2.gz JHFCNGRSPZOSOE-UONOGXRCSA-N 1 1 357.414 2.063 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000294392689 552902612 /nfs/dbraw/zinc/90/26/12/552902612.db2.gz JXYPQCCCBFXMSS-SWLSCSKDSA-N 1 1 364.421 2.356 20 5 FEBDMO COC(=O)/C=C/c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294877294 552940732 /nfs/dbraw/zinc/94/07/32/552940732.db2.gz DTQJMTUKHQZTQW-VFADXPBXSA-N 1 1 363.414 2.040 20 5 FEBDMO CCN(C)C(=O)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000294914713 552943776 /nfs/dbraw/zinc/94/37/76/552943776.db2.gz ALEZVTAFUHUYGJ-HNNXBMFYSA-N 1 1 351.403 2.054 20 5 FEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000295171532 552966073 /nfs/dbraw/zinc/96/60/73/552966073.db2.gz GFKPVTFZMGPNMD-ZDUSSCGKSA-N 1 1 360.183 2.131 20 5 FEBDMO Cc1c(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295229242 552972372 /nfs/dbraw/zinc/97/23/72/552972372.db2.gz BLSGGPZSVWOARO-LLVKDONJSA-N 1 1 362.386 2.368 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000295639667 553038051 /nfs/dbraw/zinc/03/80/51/553038051.db2.gz ZZLPLZVALLOZCU-CYBMUJFWSA-N 1 1 363.439 2.386 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@](C)(COC)C2)c([N+](=O)[O-])c1 ZINC000296523259 553173715 /nfs/dbraw/zinc/17/37/15/553173715.db2.gz ALINPBMXHFMQKC-QGZVFWFLSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@](C)(COC)C2)c([N+](=O)[O-])c1 ZINC000296523259 553173716 /nfs/dbraw/zinc/17/37/16/553173716.db2.gz ALINPBMXHFMQKC-QGZVFWFLSA-N 1 1 351.403 2.290 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000502828164 561626822 /nfs/dbraw/zinc/62/68/22/561626822.db2.gz PJTSAYWCGWJZFA-AWEZNQCLSA-N 1 1 357.370 2.453 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000502828164 561626823 /nfs/dbraw/zinc/62/68/23/561626823.db2.gz PJTSAYWCGWJZFA-AWEZNQCLSA-N 1 1 357.370 2.453 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000296965114 553236128 /nfs/dbraw/zinc/23/61/28/553236128.db2.gz BIYYZTBEUPDUKX-SFHVURJKSA-N 1 1 362.430 2.231 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000298029774 553373894 /nfs/dbraw/zinc/37/38/94/553373894.db2.gz BOOYGEICCAIERG-LBPRGKRZSA-N 1 1 367.402 2.204 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000298029774 553373895 /nfs/dbraw/zinc/37/38/95/553373895.db2.gz BOOYGEICCAIERG-LBPRGKRZSA-N 1 1 367.402 2.204 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000298284404 553408162 /nfs/dbraw/zinc/40/81/62/553408162.db2.gz XHWNQKYKBAHUNL-CQSZACIVSA-N 1 1 362.430 2.141 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000298767319 553470150 /nfs/dbraw/zinc/47/01/50/553470150.db2.gz XPOKJWSJRYXHCC-UHFFFAOYSA-N 1 1 373.413 2.204 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)Cc1ccccc1 ZINC000299117143 553517613 /nfs/dbraw/zinc/51/76/13/553517613.db2.gz SGQHSGFMFPBMIF-UHFFFAOYSA-N 1 1 371.393 2.228 20 5 FEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000299119474 553517805 /nfs/dbraw/zinc/51/78/05/553517805.db2.gz TZAPLQYEDQGTLI-AWEZNQCLSA-N 1 1 350.419 2.135 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299200894 553529801 /nfs/dbraw/zinc/52/98/01/553529801.db2.gz CWIZSBNPUNRIPL-RYUDHWBXSA-N 1 1 359.835 2.153 20 5 FEBDMO COC(=O)c1cc(N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000301673259 553670545 /nfs/dbraw/zinc/67/05/45/553670545.db2.gz GINJHEKCGZBMFF-QWHCGFSZSA-N 1 1 351.403 2.211 20 5 FEBDMO COC(=O)c1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000301673255 553670622 /nfs/dbraw/zinc/67/06/22/553670622.db2.gz GINJHEKCGZBMFF-CHWSQXEVSA-N 1 1 351.403 2.211 20 5 FEBDMO O=C1COc2cc([N+](=O)[O-])c(NCC[N@@H+]3CCc4sccc4C3)cc2N1 ZINC000301706162 553673055 /nfs/dbraw/zinc/67/30/55/553673055.db2.gz VOXCZXSKOFFHAA-UHFFFAOYSA-N 1 1 374.422 2.457 20 5 FEBDMO O=C1COc2cc([N+](=O)[O-])c(NCC[N@H+]3CCc4sccc4C3)cc2N1 ZINC000301706162 553673056 /nfs/dbraw/zinc/67/30/56/553673056.db2.gz VOXCZXSKOFFHAA-UHFFFAOYSA-N 1 1 374.422 2.457 20 5 FEBDMO C[NH+]1CCN(C(=O)CC2CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000302004492 553698014 /nfs/dbraw/zinc/69/80/14/553698014.db2.gz KGLVHDADYDJVIH-UHFFFAOYSA-N 1 1 352.460 2.037 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000505616809 561675567 /nfs/dbraw/zinc/67/55/67/561675567.db2.gz ZFJNTTIRIZOXON-QGZVFWFLSA-N 1 1 353.369 2.360 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000505891060 561684283 /nfs/dbraw/zinc/68/42/83/561684283.db2.gz VZKDKFHYMRPXQA-UHFFFAOYSA-N 1 1 363.462 2.284 20 5 FEBDMO COc1ccccc1[C@@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000506439353 561698971 /nfs/dbraw/zinc/69/89/71/561698971.db2.gz ITGOXZPLROZTQB-QGZVFWFLSA-N 1 1 373.409 2.401 20 5 FEBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc([N+](=O)[O-])n[nH]1 ZINC000507457907 561730000 /nfs/dbraw/zinc/73/00/00/561730000.db2.gz DOOOYSRBMXMLCZ-UHFFFAOYSA-N 1 1 350.404 2.403 20 5 FEBDMO Cn1c2ccc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc2oc1=O ZINC000507598680 561734723 /nfs/dbraw/zinc/73/47/23/561734723.db2.gz VKRBTZCXJAUWIW-UHFFFAOYSA-N 1 1 368.393 2.362 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000330604475 554144809 /nfs/dbraw/zinc/14/48/09/554144809.db2.gz IWDRCPPHCUPMLS-NEPJUHHUSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000330604475 554144812 /nfs/dbraw/zinc/14/48/12/554144812.db2.gz IWDRCPPHCUPMLS-NEPJUHHUSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC000331039883 554205052 /nfs/dbraw/zinc/20/50/52/554205052.db2.gz CLCNTAMSWAKIIP-CQSZACIVSA-N 1 1 355.460 2.363 20 5 FEBDMO CC(C)[C@@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@H+]1C ZINC000331148552 554222101 /nfs/dbraw/zinc/22/21/01/554222101.db2.gz OBAMFIMCBIIAIE-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000331314270 554245967 /nfs/dbraw/zinc/24/59/67/554245967.db2.gz WVCUQOYIGNGZEY-KGLIPLIRSA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@H]1C[N@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331332989 554248121 /nfs/dbraw/zinc/24/81/21/554248121.db2.gz VPALZEOZBXTVQE-JTQLQIEISA-N 1 1 356.220 2.062 20 5 FEBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000331332989 554248124 /nfs/dbraw/zinc/24/81/24/554248124.db2.gz VPALZEOZBXTVQE-JTQLQIEISA-N 1 1 356.220 2.062 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331381430 554254263 /nfs/dbraw/zinc/25/42/63/554254263.db2.gz MWKXPZFZDQICKY-OAHLLOKOSA-N 1 1 374.441 2.176 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331381430 554254265 /nfs/dbraw/zinc/25/42/65/554254265.db2.gz MWKXPZFZDQICKY-OAHLLOKOSA-N 1 1 374.441 2.176 20 5 FEBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502468 554275342 /nfs/dbraw/zinc/27/53/42/554275342.db2.gz LWDITHTWCIHCMV-CABZTGNLSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502468 554275343 /nfs/dbraw/zinc/27/53/43/554275343.db2.gz LWDITHTWCIHCMV-CABZTGNLSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520025 554279240 /nfs/dbraw/zinc/27/92/40/554279240.db2.gz NUYCXRTVLFRSQM-ZANVPECISA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520025 554279241 /nfs/dbraw/zinc/27/92/41/554279241.db2.gz NUYCXRTVLFRSQM-ZANVPECISA-N 1 1 359.835 2.009 20 5 FEBDMO O=C(CC[N@H+]1CCS[C@@H]2COCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621650 554296938 /nfs/dbraw/zinc/29/69/38/554296938.db2.gz FHZPJDMULLQVSM-HUUCEWRRSA-N 1 1 351.428 2.130 20 5 FEBDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331739744 554319554 /nfs/dbraw/zinc/31/95/54/554319554.db2.gz FFERBSSXXJRYKU-LLVKDONJSA-N 1 1 372.351 2.423 20 5 FEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000331941940 554349925 /nfs/dbraw/zinc/34/99/25/554349925.db2.gz OEVHKUDRNKYIHT-STQMWFEESA-N 1 1 357.414 2.160 20 5 FEBDMO COC(=O)c1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000332526350 554462764 /nfs/dbraw/zinc/46/27/64/554462764.db2.gz OUZZRNAOJKSGOI-SWLSCSKDSA-N 1 1 361.398 2.080 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000332569063 554473638 /nfs/dbraw/zinc/47/36/38/554473638.db2.gz CITFZGXIRIWATG-JSGCOSHPSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@H]1C[C@@H](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000510190117 561827865 /nfs/dbraw/zinc/82/78/65/561827865.db2.gz DFHDGFDUGYSFLS-DOTOQJQBSA-N 1 1 371.441 2.208 20 5 FEBDMO Cc1sc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000510533484 561838101 /nfs/dbraw/zinc/83/81/01/561838101.db2.gz KTVHURLNNRARRU-ZYHUDNBSSA-N 1 1 359.473 2.212 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350975909 554826415 /nfs/dbraw/zinc/82/64/15/554826415.db2.gz DJSWKNHPTIGLGK-BETUJISGSA-N 1 1 373.413 2.210 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000350975909 554826416 /nfs/dbraw/zinc/82/64/16/554826416.db2.gz DJSWKNHPTIGLGK-BETUJISGSA-N 1 1 373.413 2.210 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000511425428 561868930 /nfs/dbraw/zinc/86/89/30/561868930.db2.gz LYBOXVXKLCKFOQ-HIFRSBDPSA-N 1 1 357.414 2.202 20 5 FEBDMO C[N@@H+](CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1)Cc1ccccc1 ZINC000511437456 561869413 /nfs/dbraw/zinc/86/94/13/561869413.db2.gz ODPYKGNIHGANQC-UHFFFAOYSA-N 1 1 355.442 2.244 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000361011119 554900090 /nfs/dbraw/zinc/90/00/90/554900090.db2.gz HYBZNBYOXXJWCL-AGUYFDCRSA-N 1 1 353.444 2.054 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363118391 555034290 /nfs/dbraw/zinc/03/42/90/555034290.db2.gz XHYCJZPRJIRTFP-ZBINZKHDSA-N 1 1 351.353 2.429 20 5 FEBDMO Cn1cc(C[C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000363134193 555037570 /nfs/dbraw/zinc/03/75/70/555037570.db2.gz DDFOGBAGQPQCFW-CQSZACIVSA-N 1 1 357.414 2.222 20 5 FEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000511922272 561885663 /nfs/dbraw/zinc/88/56/63/561885663.db2.gz JZWGNTGBRLNNCK-AWEZNQCLSA-N 1 1 360.366 2.195 20 5 FEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000511922272 561885665 /nfs/dbraw/zinc/88/56/65/561885665.db2.gz JZWGNTGBRLNNCK-AWEZNQCLSA-N 1 1 360.366 2.195 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C1 ZINC000363585035 555142263 /nfs/dbraw/zinc/14/22/63/555142263.db2.gz GBSCOQVFKUFJEA-HNNXBMFYSA-N 1 1 355.442 2.359 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653934 555364258 /nfs/dbraw/zinc/36/42/58/555364258.db2.gz WFPXIWUJQIKYEQ-FZMZJTMJSA-N 1 1 363.443 2.121 20 5 FEBDMO COc1cc(NC2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])cc1OC ZINC000365469244 555584083 /nfs/dbraw/zinc/58/40/83/555584083.db2.gz KGBYZFMYPZMUHJ-UHFFFAOYSA-N 1 1 361.402 2.426 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCCO[C@H]3CCCCO3)C2)nc1 ZINC000514082744 561959909 /nfs/dbraw/zinc/95/99/09/561959909.db2.gz JJHKVFXSVKODIZ-YOEHRIQHSA-N 1 1 350.419 2.409 20 5 FEBDMO CCCn1nc2c(cc1=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000366626938 555893865 /nfs/dbraw/zinc/89/38/65/555893865.db2.gz DWKWNDIIQIKMOJ-UHFFFAOYSA-N 1 1 358.398 2.128 20 5 FEBDMO CCCn1nc2c(cc1=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC2 ZINC000366626938 555893867 /nfs/dbraw/zinc/89/38/67/555893867.db2.gz DWKWNDIIQIKMOJ-UHFFFAOYSA-N 1 1 358.398 2.128 20 5 FEBDMO Cc1cnc([C@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000366628773 555894647 /nfs/dbraw/zinc/89/46/47/555894647.db2.gz IDEJDNSRCQGRQC-ZIAGYGMSSA-N 1 1 351.432 2.144 20 5 FEBDMO Cc1cnc([C@H]2CCCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000366628773 555894650 /nfs/dbraw/zinc/89/46/50/555894650.db2.gz IDEJDNSRCQGRQC-ZIAGYGMSSA-N 1 1 351.432 2.144 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000366824196 555944020 /nfs/dbraw/zinc/94/40/20/555944020.db2.gz OSVBRPYAQTVIOZ-HNNXBMFYSA-N 1 1 356.430 2.458 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000366948089 555979327 /nfs/dbraw/zinc/97/93/27/555979327.db2.gz VKTFEWMWHLWCNH-UGSOOPFHSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000366948089 555979329 /nfs/dbraw/zinc/97/93/29/555979329.db2.gz VKTFEWMWHLWCNH-UGSOOPFHSA-N 1 1 363.414 2.433 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000367325024 556018239 /nfs/dbraw/zinc/01/82/39/556018239.db2.gz AHMYDASLQVNWOV-AWEZNQCLSA-N 1 1 352.822 2.167 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000367838563 556151708 /nfs/dbraw/zinc/15/17/08/556151708.db2.gz FVXUCNXDXHRWJY-MRXNPFEDSA-N 1 1 355.797 2.484 20 5 FEBDMO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)nn1 ZINC000368346976 556283757 /nfs/dbraw/zinc/28/37/57/556283757.db2.gz IMICEYAICIJACV-HNNXBMFYSA-N 1 1 359.386 2.118 20 5 FEBDMO Cc1c(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cccc1[N+](=O)[O-] ZINC000515704463 562019759 /nfs/dbraw/zinc/01/97/59/562019759.db2.gz ZUNJMCVFBJIPMF-CQSZACIVSA-N 1 1 367.471 2.197 20 5 FEBDMO CN(C(=O)CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369008233 556474756 /nfs/dbraw/zinc/47/47/56/556474756.db2.gz HQPUFSZVXNECSM-MRXNPFEDSA-N 1 1 357.414 2.481 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359133 556579442 /nfs/dbraw/zinc/57/94/42/556579442.db2.gz PCIAQJWHULKICT-MRVWCRGKSA-N 1 1 353.444 2.276 20 5 FEBDMO C[C@H](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000516313891 562039434 /nfs/dbraw/zinc/03/94/34/562039434.db2.gz ULRNEENECUHUQD-CYBMUJFWSA-N 1 1 357.414 2.212 20 5 FEBDMO Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975613 556746210 /nfs/dbraw/zinc/74/62/10/556746210.db2.gz SQTPOLPPNNUIFZ-WBVHZDCISA-N 1 1 360.414 2.177 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H](O)COc3ccccc3F)C2)c1 ZINC000369974994 556746240 /nfs/dbraw/zinc/74/62/40/556746240.db2.gz QVXWXGYAIXCKCI-HIFRSBDPSA-N 1 1 364.377 2.007 20 5 FEBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000370024809 556760604 /nfs/dbraw/zinc/76/06/04/556760604.db2.gz AYCRKPJMVWZBAR-QGZVFWFLSA-N 1 1 356.361 2.442 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000370024809 556760606 /nfs/dbraw/zinc/76/06/06/556760606.db2.gz AYCRKPJMVWZBAR-QGZVFWFLSA-N 1 1 356.361 2.442 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000516605798 562050224 /nfs/dbraw/zinc/05/02/24/562050224.db2.gz JBXSCMSAWXYACO-CYBMUJFWSA-N 1 1 355.460 2.364 20 5 FEBDMO Cc1cc(C2=CC[N@@H+](CCN3CCO[C@H](C)C3)CC2)cc([N+](=O)[O-])c1N ZINC000370587239 556915286 /nfs/dbraw/zinc/91/52/86/556915286.db2.gz DFJFHMLOGHJFPO-OAHLLOKOSA-N 1 1 360.458 2.295 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCN(c2cnccn2)CC1 ZINC000370630335 556924842 /nfs/dbraw/zinc/92/48/42/556924842.db2.gz HEHWWKFEGPJPOR-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000516895123 562063168 /nfs/dbraw/zinc/06/31/68/562063168.db2.gz INGIBAVQVCZMGH-ZIAGYGMSSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000370915897 557014598 /nfs/dbraw/zinc/01/45/98/557014598.db2.gz DYMAQALNMXFMBG-KBXCAEBGSA-N 1 1 371.441 2.450 20 5 FEBDMO Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)CCC[N@H+]2C)cn1 ZINC000370926497 557019184 /nfs/dbraw/zinc/01/91/84/557019184.db2.gz BKJOOSWYBJOUCE-YOEHRIQHSA-N 1 1 357.414 2.141 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372158192 557395203 /nfs/dbraw/zinc/39/52/03/557395203.db2.gz UAJZGXPARYXXKK-KBPBESRZSA-N 1 1 363.414 2.290 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000372328989 557441348 /nfs/dbraw/zinc/44/13/48/557441348.db2.gz DZWGGPKGNIHSFH-AWEZNQCLSA-N 1 1 361.358 2.415 20 5 FEBDMO C[C@@H](NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000373278310 557663991 /nfs/dbraw/zinc/66/39/91/557663991.db2.gz NGBNAWOSSAFWDQ-CQSZACIVSA-N 1 1 357.414 2.306 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000520293045 562152624 /nfs/dbraw/zinc/15/26/24/562152624.db2.gz RQFXVOLDKQJBIU-AWEZNQCLSA-N 1 1 362.430 2.470 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471129 557699969 /nfs/dbraw/zinc/69/99/69/557699969.db2.gz KJVICLYMSZBBDF-CABCVRRESA-N 1 1 364.450 2.012 20 5 FEBDMO Cc1ccc2nc(C[NH2+]C[C@@H](O)COc3cccc([N+](=O)[O-])c3)[nH]c2c1 ZINC000520397683 562155403 /nfs/dbraw/zinc/15/54/03/562155403.db2.gz JSCQTUJQWGUPAS-CQSZACIVSA-N 1 1 356.382 2.309 20 5 FEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000373865145 557776230 /nfs/dbraw/zinc/77/62/30/557776230.db2.gz IAAVKKKSMHDPRB-PIGZYNQJSA-N 1 1 360.370 2.276 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374021714 557809258 /nfs/dbraw/zinc/80/92/58/557809258.db2.gz IMUGYAZPPXSNGL-CJNGLKHVSA-N 1 1 355.398 2.137 20 5 FEBDMO C[NH+]1CCC2(CCCN(C(=O)c3[nH]nc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000374099036 557823037 /nfs/dbraw/zinc/82/30/37/557823037.db2.gz JNUCUFKRBROCNK-UHFFFAOYSA-N 1 1 357.414 2.419 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000374346546 557869216 /nfs/dbraw/zinc/86/92/16/557869216.db2.gz SMLWXNQKGLJXMW-UHFFFAOYSA-N 1 1 368.409 2.353 20 5 FEBDMO Cc1c(C[N@@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000374384601 557875984 /nfs/dbraw/zinc/87/59/84/557875984.db2.gz BXGVBZFMEUTETP-GOSISDBHSA-N 1 1 361.442 2.410 20 5 FEBDMO Cc1c(C[N@H+]2CCC[C@@H]2C(=O)NCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000374384601 557875986 /nfs/dbraw/zinc/87/59/86/557875986.db2.gz BXGVBZFMEUTETP-GOSISDBHSA-N 1 1 361.442 2.410 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(c3ccc([N+](=O)[O-])c(OC(C)C)n3)[C@H]2C1 ZINC000521068026 562169071 /nfs/dbraw/zinc/16/90/71/562169071.db2.gz JKSITZHDTDQJPW-LSDHHAIUSA-N 1 1 350.419 2.076 20 5 FEBDMO COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000374641899 557910873 /nfs/dbraw/zinc/91/08/73/557910873.db2.gz BHCZYNLHJINPJJ-SCLBCKFNSA-N 1 1 372.381 2.420 20 5 FEBDMO O=C1[C@@H]([N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C1CCOCC1 ZINC000375669530 558064896 /nfs/dbraw/zinc/06/48/96/558064896.db2.gz SGFJNPNMLKJKLL-SFHVURJKSA-N 1 1 359.426 2.339 20 5 FEBDMO O=C1[C@@H]([N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCN1C1CCOCC1 ZINC000375669530 558064898 /nfs/dbraw/zinc/06/48/98/558064898.db2.gz SGFJNPNMLKJKLL-SFHVURJKSA-N 1 1 359.426 2.339 20 5 FEBDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000375699738 558069450 /nfs/dbraw/zinc/06/94/50/558069450.db2.gz XAABNMXOEHBVNM-UHFFFAOYSA-N 1 1 365.434 2.267 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000376483877 558179329 /nfs/dbraw/zinc/17/93/29/558179329.db2.gz HFUBAJKPLJPNFC-LLVKDONJSA-N 1 1 354.370 2.361 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377660404 558389659 /nfs/dbraw/zinc/38/96/59/558389659.db2.gz WNXAIGNQIBQZIE-UGSOOPFHSA-N 1 1 365.430 2.271 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377660404 558389661 /nfs/dbraw/zinc/38/96/61/558389661.db2.gz WNXAIGNQIBQZIE-UGSOOPFHSA-N 1 1 365.430 2.271 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535189 562199517 /nfs/dbraw/zinc/19/95/17/562199517.db2.gz VBLJIABGXCLCQW-STQMWFEESA-N 1 1 351.451 2.177 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000378002099 558461049 /nfs/dbraw/zinc/46/10/49/558461049.db2.gz QFJBPUJLRSUVGM-AWEZNQCLSA-N 1 1 363.414 2.363 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000378085474 558477279 /nfs/dbraw/zinc/47/72/79/558477279.db2.gz GEOCPQRRMCBLPE-SNVBAGLBSA-N 1 1 357.382 2.136 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000408340607 558668635 /nfs/dbraw/zinc/66/86/35/558668635.db2.gz WPCNORUWBFECKS-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000408342948 558669105 /nfs/dbraw/zinc/66/91/05/558669105.db2.gz MFXMEHRSLMZZBV-GJZGRUSLSA-N 1 1 353.444 2.117 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000525065846 562240067 /nfs/dbraw/zinc/24/00/67/562240067.db2.gz XIUUHIILWXHLEN-LBPRGKRZSA-N 1 1 351.403 2.072 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000411313144 558874571 /nfs/dbraw/zinc/87/45/71/558874571.db2.gz AADRBEYRJVFPAT-CJNGLKHVSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411317737 558875595 /nfs/dbraw/zinc/87/55/95/558875595.db2.gz PDBWZGFXSCDUDD-BBRMVZONSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1F ZINC000411411018 558889969 /nfs/dbraw/zinc/88/99/69/558889969.db2.gz FIRWUVDZULHHKY-LBPRGKRZSA-N 1 1 353.394 2.276 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000411498626 558905815 /nfs/dbraw/zinc/90/58/15/558905815.db2.gz PJXQQEURIVRTIQ-LBPRGKRZSA-N 1 1 361.402 2.359 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000411587606 558923828 /nfs/dbraw/zinc/92/38/28/558923828.db2.gz DNZWBHQFWMAZFN-CQSZACIVSA-N 1 1 362.430 2.091 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000411589109 558924199 /nfs/dbraw/zinc/92/41/99/558924199.db2.gz HJJNRPLUZBDKQZ-AWEZNQCLSA-N 1 1 362.430 2.091 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411680541 558942581 /nfs/dbraw/zinc/94/25/81/558942581.db2.gz XNXNPHKJPJJODN-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411969247 558997169 /nfs/dbraw/zinc/99/71/69/558997169.db2.gz QEIWOGKKUZHEGV-LJQANCHMSA-N 1 1 355.394 2.232 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412063092 559008717 /nfs/dbraw/zinc/00/87/17/559008717.db2.gz BAFITDVWJBNKRK-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412063092 559008719 /nfs/dbraw/zinc/00/87/19/559008719.db2.gz BAFITDVWJBNKRK-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO COC(=O)[C@@H]1CSCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412065245 559008754 /nfs/dbraw/zinc/00/87/54/559008754.db2.gz DUBRSEVYFYUIFF-JTQLQIEISA-N 1 1 351.384 2.074 20 5 FEBDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412065245 559008755 /nfs/dbraw/zinc/00/87/55/559008755.db2.gz DUBRSEVYFYUIFF-JTQLQIEISA-N 1 1 351.384 2.074 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000412090362 559012069 /nfs/dbraw/zinc/01/20/69/559012069.db2.gz UGMRCEYPRIRVDV-AWEZNQCLSA-N 1 1 362.430 2.221 20 5 FEBDMO CC[NH+]1CCN([C@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)CC1 ZINC000413127999 559081008 /nfs/dbraw/zinc/08/10/08/559081008.db2.gz CJFQUMFBKUAAAN-HNNXBMFYSA-N 1 1 355.442 2.359 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000413152948 559083501 /nfs/dbraw/zinc/08/35/01/559083501.db2.gz JNIBNHXXZVJZBC-RHSMWYFYSA-N 1 1 360.389 2.424 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1F ZINC000413168191 559085044 /nfs/dbraw/zinc/08/50/44/559085044.db2.gz MKRSYNWIPPDPNT-OCCSQVGLSA-N 1 1 351.378 2.028 20 5 FEBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[N@@H+](C)C1 ZINC000413506314 559112648 /nfs/dbraw/zinc/11/26/48/559112648.db2.gz VOQKWSXLUQFUBL-SNVBAGLBSA-N 1 1 361.320 2.155 20 5 FEBDMO COC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414485369 559168170 /nfs/dbraw/zinc/16/81/70/559168170.db2.gz IARZOSHDHYBHRR-STQMWFEESA-N 1 1 362.382 2.445 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1C ZINC000416569832 559322473 /nfs/dbraw/zinc/32/24/73/559322473.db2.gz YUTLIZJOARLDJT-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419344844 559438716 /nfs/dbraw/zinc/43/87/16/559438716.db2.gz SGYKOKUZPWGMPD-ZIAGYGMSSA-N 1 1 360.414 2.137 20 5 FEBDMO COc1ccc([C@H](C[NH3+])CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000420364612 559483189 /nfs/dbraw/zinc/48/31/89/559483189.db2.gz DCEXJWHGIDWENP-OAHLLOKOSA-N 1 1 359.430 2.179 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000420628433 559494344 /nfs/dbraw/zinc/49/43/44/559494344.db2.gz PCZHMKUGFJQDHK-UHFFFAOYSA-N 1 1 364.494 2.116 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000420628433 559494345 /nfs/dbraw/zinc/49/43/45/559494345.db2.gz PCZHMKUGFJQDHK-UHFFFAOYSA-N 1 1 364.494 2.116 20 5 FEBDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000420921515 559511546 /nfs/dbraw/zinc/51/15/46/559511546.db2.gz DBHYXHPOKDZEEY-QZTJIDSGSA-N 1 1 362.405 2.389 20 5 FEBDMO Cn1ccnc1[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000423544097 559631631 /nfs/dbraw/zinc/63/16/31/559631631.db2.gz NZOAAWWEYCIETF-BVIKNXMNSA-N 1 1 355.442 2.395 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000423947624 559647633 /nfs/dbraw/zinc/64/76/33/559647633.db2.gz JWXUHAFOBZFOQE-UHFFFAOYSA-N 1 1 360.458 2.158 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424992924 559682737 /nfs/dbraw/zinc/68/27/37/559682737.db2.gz UFDJFESFDYYCME-UHFFFAOYSA-N 1 1 365.430 2.176 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504225 559706279 /nfs/dbraw/zinc/70/62/79/559706279.db2.gz VJFDBBBRKKUARN-AWEZNQCLSA-N 1 1 358.402 2.160 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000426777759 559741799 /nfs/dbraw/zinc/74/17/99/559741799.db2.gz QGPQCLQFZCKOQL-LBPRGKRZSA-N 1 1 355.460 2.138 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000428551928 559778152 /nfs/dbraw/zinc/77/81/52/559778152.db2.gz LMATYJXBXUBAQW-HNNXBMFYSA-N 1 1 371.393 2.422 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000428867195 559785157 /nfs/dbraw/zinc/78/51/57/559785157.db2.gz LUMGHDLHVHFLTG-SCLBCKFNSA-N 1 1 370.409 2.089 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000428867193 559785201 /nfs/dbraw/zinc/78/52/01/559785201.db2.gz LUMGHDLHVHFLTG-ACJLOTCBSA-N 1 1 370.409 2.089 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)[C@H]1C(C)C ZINC000429396827 559797869 /nfs/dbraw/zinc/79/78/69/559797869.db2.gz CUSQSUOYIRUDGL-YOEHRIQHSA-N 1 1 363.414 2.361 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCO1 ZINC000432543493 559860627 /nfs/dbraw/zinc/86/06/27/559860627.db2.gz UIILJGUFQRYCCP-CYBMUJFWSA-N 1 1 360.414 2.307 20 5 FEBDMO CCOc1ccccc1C[N@@H+]1CCN(c2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000440678402 560016244 /nfs/dbraw/zinc/01/62/44/560016244.db2.gz ONAQYUJAAUFYGF-CQSZACIVSA-N 1 1 359.430 2.438 20 5 FEBDMO CCOc1ccccc1C[N@H+]1CCN(c2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000440678402 560016245 /nfs/dbraw/zinc/01/62/45/560016245.db2.gz ONAQYUJAAUFYGF-CQSZACIVSA-N 1 1 359.430 2.438 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441229173 560026645 /nfs/dbraw/zinc/02/66/45/560026645.db2.gz OIVIPDFREYOVGM-HOTGVXAUSA-N 1 1 359.426 2.232 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000443706038 560090717 /nfs/dbraw/zinc/09/07/17/560090717.db2.gz HXZLVEDSYSGKJY-OAHLLOKOSA-N 1 1 369.468 2.379 20 5 FEBDMO CC[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000444858427 560122690 /nfs/dbraw/zinc/12/26/90/560122690.db2.gz MQYLQZLLACSCER-MRXNPFEDSA-N 1 1 370.409 2.262 20 5 FEBDMO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000445560165 560132916 /nfs/dbraw/zinc/13/29/16/560132916.db2.gz XETCFPNJXHWGDL-IUCAKERBSA-N 1 1 368.242 2.450 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446141089 560140711 /nfs/dbraw/zinc/14/07/11/560140711.db2.gz XFMYUKSBJLBRJT-UHFFFAOYSA-N 1 1 367.203 2.221 20 5 FEBDMO Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000446706470 560150270 /nfs/dbraw/zinc/15/02/70/560150270.db2.gz MKYPSJUIQVFZBV-UHFFFAOYSA-N 1 1 369.425 2.449 20 5 FEBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000447078671 560156076 /nfs/dbraw/zinc/15/60/76/560156076.db2.gz UYIBHQIRYAZMST-VCEMYFSSSA-N 1 1 364.442 2.344 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000447940504 560174009 /nfs/dbraw/zinc/17/40/09/560174009.db2.gz BTCFULOSPYDXCZ-MRXNPFEDSA-N 1 1 369.487 2.177 20 5 FEBDMO C[C@@]12C[N@H+]([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555954 560189873 /nfs/dbraw/zinc/18/98/73/560189873.db2.gz NSHANPLCDLUPSN-ULAROXBWSA-N 1 1 367.405 2.371 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000449673054 560236473 /nfs/dbraw/zinc/23/64/73/560236473.db2.gz NVYRVQRFKDUCLN-XPTSAGLGSA-N 1 1 364.320 2.357 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000449673054 560236474 /nfs/dbraw/zinc/23/64/74/560236474.db2.gz NVYRVQRFKDUCLN-XPTSAGLGSA-N 1 1 364.320 2.357 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450107734 560250912 /nfs/dbraw/zinc/25/09/12/560250912.db2.gz YKEBCLJXYBGDJR-OAHLLOKOSA-N 1 1 371.441 2.488 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000450320065 560258518 /nfs/dbraw/zinc/25/85/18/560258518.db2.gz MVFANNPFSJHWAQ-CYBMUJFWSA-N 1 1 374.441 2.433 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000450467173 560263335 /nfs/dbraw/zinc/26/33/35/560263335.db2.gz CLOCUJIRGHNEMH-CYBMUJFWSA-N 1 1 374.441 2.433 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(NCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000450953560 560279788 /nfs/dbraw/zinc/27/97/88/560279788.db2.gz ZCFJQDHMEDWIOD-UHFFFAOYSA-N 1 1 370.475 2.131 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])cc1F ZINC000451197634 560292672 /nfs/dbraw/zinc/29/26/72/560292672.db2.gz AKVZKBJIPLAHMX-LBPRGKRZSA-N 1 1 351.378 2.489 20 5 FEBDMO Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)C2=O)cn1 ZINC000451550867 560314171 /nfs/dbraw/zinc/31/41/71/560314171.db2.gz SSBCCCVGTATMGH-CRAIPNDOSA-N 1 1 369.425 2.313 20 5 FEBDMO Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@@H](c4ccc([N+](=O)[O-])cc4)C3)C2=O)cn1 ZINC000451550867 560314172 /nfs/dbraw/zinc/31/41/72/560314172.db2.gz SSBCCCVGTATMGH-CRAIPNDOSA-N 1 1 369.425 2.313 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452136368 560353529 /nfs/dbraw/zinc/35/35/29/560353529.db2.gz YDOHRHNTHPUXOM-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452136368 560353530 /nfs/dbraw/zinc/35/35/30/560353530.db2.gz YDOHRHNTHPUXOM-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000455458567 560483157 /nfs/dbraw/zinc/48/31/57/560483157.db2.gz DUUMUIKXMIEKRP-OAHLLOKOSA-N 1 1 350.419 2.126 20 5 FEBDMO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456326720 560515553 /nfs/dbraw/zinc/51/55/53/560515553.db2.gz GRVLQDQMMOTMLI-INIZCTEOSA-N 1 1 371.441 2.162 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000456897236 560536394 /nfs/dbraw/zinc/53/63/94/560536394.db2.gz KCDHXTDJNKHWCJ-UHFFFAOYSA-N 1 1 373.457 2.222 20 5 FEBDMO CON1CCC([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000459584626 560695789 /nfs/dbraw/zinc/69/57/89/560695789.db2.gz VRWQBKJJTCWUHI-UHFFFAOYSA-N 1 1 350.419 2.189 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccc(C)c(C)n2)cc1[N+](=O)[O-] ZINC000459682651 560701941 /nfs/dbraw/zinc/70/19/41/560701941.db2.gz ZKDDVCPYEDNERT-UHFFFAOYSA-N 1 1 359.382 2.448 20 5 FEBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000465356284 560863900 /nfs/dbraw/zinc/86/39/00/560863900.db2.gz OJXNATKKMXZDNV-UHFFFAOYSA-N 1 1 372.381 2.112 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000467053239 560902510 /nfs/dbraw/zinc/90/25/10/560902510.db2.gz GOBOPMAMEGICQG-RYUDHWBXSA-N 1 1 359.473 2.070 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000467198466 560906274 /nfs/dbraw/zinc/90/62/74/560906274.db2.gz SUIRKAUDQXKQIV-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000467198466 560906275 /nfs/dbraw/zinc/90/62/75/560906275.db2.gz SUIRKAUDQXKQIV-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000467293225 560907958 /nfs/dbraw/zinc/90/79/58/560907958.db2.gz IPQTZNCCSQNBIV-MRRJBJDNSA-N 1 1 364.398 2.256 20 5 FEBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000467293225 560907959 /nfs/dbraw/zinc/90/79/59/560907959.db2.gz IPQTZNCCSQNBIV-MRRJBJDNSA-N 1 1 364.398 2.256 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(c2[nH+]ccn2C)CC1 ZINC000471155774 560999445 /nfs/dbraw/zinc/99/94/45/560999445.db2.gz DLUCKLZADNYQPN-UHFFFAOYSA-N 1 1 359.430 2.438 20 5 FEBDMO COC(=O)CC[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000473510418 561051639 /nfs/dbraw/zinc/05/16/39/561051639.db2.gz FGHGRDBZEWGJSC-CYBMUJFWSA-N 1 1 358.398 2.217 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000473510418 561051640 /nfs/dbraw/zinc/05/16/40/561051640.db2.gz FGHGRDBZEWGJSC-CYBMUJFWSA-N 1 1 358.398 2.217 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000475097282 561090236 /nfs/dbraw/zinc/09/02/36/561090236.db2.gz YUKSSYMNGBJKGQ-ZBFHGGJFSA-N 1 1 366.414 2.130 20 5 FEBDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475110851 561090718 /nfs/dbraw/zinc/09/07/18/561090718.db2.gz OOKCURKMOGPUML-OAHLLOKOSA-N 1 1 366.414 2.395 20 5 FEBDMO CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475306630 561094533 /nfs/dbraw/zinc/09/45/33/561094533.db2.gz SUCYAUBWVFBBOV-MRXNPFEDSA-N 1 1 371.441 2.259 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000476355158 561117414 /nfs/dbraw/zinc/11/74/14/561117414.db2.gz MJKJEKWUDXWBKK-UHFFFAOYSA-N 1 1 371.441 2.313 20 5 FEBDMO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662762 562419710 /nfs/dbraw/zinc/41/97/10/562419710.db2.gz NXUIKOHITLHVPX-YQQAZPJKSA-N 1 1 351.447 2.139 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662762 562419711 /nfs/dbraw/zinc/41/97/11/562419711.db2.gz NXUIKOHITLHVPX-YQQAZPJKSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662762 562419712 /nfs/dbraw/zinc/41/97/12/562419712.db2.gz NXUIKOHITLHVPX-YQQAZPJKSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662762 562419713 /nfs/dbraw/zinc/41/97/13/562419713.db2.gz NXUIKOHITLHVPX-YQQAZPJKSA-N 1 1 351.447 2.139 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000532252598 562471583 /nfs/dbraw/zinc/47/15/83/562471583.db2.gz OOSHRLUEBLMGMP-PBHICJAKSA-N 1 1 362.430 2.099 20 5 FEBDMO CC[C@]1(C)COCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000535566600 562561578 /nfs/dbraw/zinc/56/15/78/562561578.db2.gz KVFRHALYCHZWSD-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3nc[nH]c3c2)cc1 ZINC000541762540 562619309 /nfs/dbraw/zinc/61/93/09/562619309.db2.gz ANBREXXJTINLAT-UHFFFAOYSA-N 1 1 360.395 2.035 20 5 FEBDMO CCN(C(=O)c1[nH]nc(C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546206969 562635018 /nfs/dbraw/zinc/63/50/18/562635018.db2.gz OHEJHOGMSITDMI-OAHLLOKOSA-N 1 1 357.414 2.363 20 5 FEBDMO CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546206969 562635019 /nfs/dbraw/zinc/63/50/19/562635019.db2.gz OHEJHOGMSITDMI-OAHLLOKOSA-N 1 1 357.414 2.363 20 5 FEBDMO CCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546206969 562635020 /nfs/dbraw/zinc/63/50/20/562635020.db2.gz OHEJHOGMSITDMI-OAHLLOKOSA-N 1 1 357.414 2.363 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000568678619 568120248 /nfs/dbraw/zinc/12/02/48/568120248.db2.gz OSZNAULMADBWNS-UHFFFAOYSA-N 1 1 373.457 2.099 20 5 FEBDMO CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])c2cccnc12)CC[NH+](C)C ZINC000568678619 568120249 /nfs/dbraw/zinc/12/02/49/568120249.db2.gz OSZNAULMADBWNS-UHFFFAOYSA-N 1 1 373.457 2.099 20 5 FEBDMO C[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000821628796 599316978 /nfs/dbraw/zinc/31/69/78/599316978.db2.gz QXXCSMPYTRLGOZ-QGZVFWFLSA-N 1 1 365.397 2.268 20 5 FEBDMO C[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000821628796 599316980 /nfs/dbraw/zinc/31/69/80/599316980.db2.gz QXXCSMPYTRLGOZ-QGZVFWFLSA-N 1 1 365.397 2.268 20 5 FEBDMO C[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809810974 674511310 /nfs/dbraw/zinc/51/13/10/674511310.db2.gz UYHPUGASIKPUDJ-MRVPVSSYSA-N 1 1 368.242 2.274 20 5 FEBDMO C[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809810974 674511313 /nfs/dbraw/zinc/51/13/13/674511313.db2.gz UYHPUGASIKPUDJ-MRVPVSSYSA-N 1 1 368.242 2.274 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000812323592 674665898 /nfs/dbraw/zinc/66/58/98/674665898.db2.gz LMWYRQLUISXYRH-RWMBFGLXSA-N 1 1 367.833 2.426 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000562062921 674719673 /nfs/dbraw/zinc/71/96/73/674719673.db2.gz OHUBPOUAYXZQEP-LBPRGKRZSA-N 1 1 359.448 2.002 20 5 FEBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000068964649 670478212 /nfs/dbraw/zinc/47/82/12/670478212.db2.gz HTXFNKDJRFYQKM-SWLSCSKDSA-N 1 1 351.451 2.382 20 5 FEBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000068964649 670478216 /nfs/dbraw/zinc/47/82/16/670478216.db2.gz HTXFNKDJRFYQKM-SWLSCSKDSA-N 1 1 351.451 2.382 20 5 FEBDMO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665018 670497044 /nfs/dbraw/zinc/49/70/44/670497044.db2.gz DSPQTWVFTVCONB-NSHDSACASA-N 1 1 350.810 2.372 20 5 FEBDMO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665018 670497045 /nfs/dbraw/zinc/49/70/45/670497045.db2.gz DSPQTWVFTVCONB-NSHDSACASA-N 1 1 350.810 2.372 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000114062330 670889546 /nfs/dbraw/zinc/88/95/46/670889546.db2.gz GLBSQPAJNAYYCG-ZJUUUORDSA-N 1 1 357.794 2.316 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000572635821 671025949 /nfs/dbraw/zinc/02/59/49/671025949.db2.gz ICKBKCGTNGXBMM-UHFFFAOYSA-N 1 1 367.471 2.406 20 5 FEBDMO CC[NH2+]CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000576345932 671362201 /nfs/dbraw/zinc/36/22/01/671362201.db2.gz WMZUYUZKYKWWPB-UHFFFAOYSA-N 1 1 356.231 2.180 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609279589 675916761 /nfs/dbraw/zinc/91/67/61/675916761.db2.gz OJVDCGZVIMBKDQ-LLVKDONJSA-N 1 1 356.810 2.481 20 5 FEBDMO C[N@@H+]1CCO[C@H](CSCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000577951922 671630754 /nfs/dbraw/zinc/63/07/54/671630754.db2.gz FCXKAUHEYSTLAI-ZDUSSCGKSA-N 1 1 350.400 2.209 20 5 FEBDMO C[N@H+]1CCO[C@H](CSCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000577951922 671630756 /nfs/dbraw/zinc/63/07/56/671630756.db2.gz FCXKAUHEYSTLAI-ZDUSSCGKSA-N 1 1 350.400 2.209 20 5 FEBDMO C[N@@H+](CC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCSC1 ZINC000578288779 671654108 /nfs/dbraw/zinc/65/41/08/671654108.db2.gz OJQDHWCLUSUIIL-AWEZNQCLSA-N 1 1 362.455 2.172 20 5 FEBDMO CC(C)C[NH+]1CCC(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579823845 671762881 /nfs/dbraw/zinc/76/28/81/671762881.db2.gz IVJOAJUUXJSMQL-MRXNPFEDSA-N 1 1 351.447 2.045 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CCO)C1 ZINC000609848960 675939134 /nfs/dbraw/zinc/93/91/34/675939134.db2.gz VDWSZVJSWVXXCA-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ncc([N+](=O)[O-])cc1Br ZINC000580944580 671849329 /nfs/dbraw/zinc/84/93/29/671849329.db2.gz XBVGOLJBLOONBF-UHFFFAOYSA-N 1 1 374.283 2.072 20 5 FEBDMO CN(CCCN(C)c1ncc([N+](=O)[O-])cc1Br)CC[NH+](C)C ZINC000580944580 671849333 /nfs/dbraw/zinc/84/93/33/671849333.db2.gz XBVGOLJBLOONBF-UHFFFAOYSA-N 1 1 374.283 2.072 20 5 FEBDMO CC(C)[N@@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581099308 671863401 /nfs/dbraw/zinc/86/34/01/671863401.db2.gz FYDYMJDCGQZTPP-UHFFFAOYSA-N 1 1 364.183 2.402 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000119636666 671904168 /nfs/dbraw/zinc/90/41/68/671904168.db2.gz MDBMBMZJCWSUHE-UHFFFAOYSA-N 1 1 355.441 2.067 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000119636666 671904170 /nfs/dbraw/zinc/90/41/70/671904170.db2.gz MDBMBMZJCWSUHE-UHFFFAOYSA-N 1 1 355.441 2.067 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610134955 675955891 /nfs/dbraw/zinc/95/58/91/675955891.db2.gz HLLDSCZPVUIBIM-KBPBESRZSA-N 1 1 355.460 2.397 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135042 675956177 /nfs/dbraw/zinc/95/61/77/675956177.db2.gz KFRZMQVSKTWMGJ-KBPBESRZSA-N 1 1 355.460 2.397 20 5 FEBDMO CS(=O)(=O)c1ccc(NCc2c[nH+]c3n2CCCC3)c([N+](=O)[O-])c1 ZINC000582113615 671969522 /nfs/dbraw/zinc/96/95/22/671969522.db2.gz LIHYONLXMRUKIN-UHFFFAOYSA-N 1 1 350.400 2.143 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000139629616 672146854 /nfs/dbraw/zinc/14/68/54/672146854.db2.gz DPHAVGFZQYMUHT-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000139629616 672146857 /nfs/dbraw/zinc/14/68/57/672146857.db2.gz DPHAVGFZQYMUHT-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000173903808 672355507 /nfs/dbraw/zinc/35/55/07/672355507.db2.gz DFNJWQLOKYQOIY-GFCCVEGCSA-N 1 1 354.838 2.460 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](CC)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000611087977 676016550 /nfs/dbraw/zinc/01/65/50/676016550.db2.gz WLEYGUSVFAHFLT-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000611087977 676016553 /nfs/dbraw/zinc/01/65/53/676016553.db2.gz WLEYGUSVFAHFLT-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000611185339 676023902 /nfs/dbraw/zinc/02/39/02/676023902.db2.gz YRZOQLCMCXGVEG-UWVGGRQHSA-N 1 1 373.253 2.429 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000589631387 672536316 /nfs/dbraw/zinc/53/63/16/672536316.db2.gz KUUYFCBJQIAEEN-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590046971 672556768 /nfs/dbraw/zinc/55/67/68/672556768.db2.gz QEUYGKLGAQXGHI-YGRLFVJLSA-N 1 1 368.231 2.442 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590442729 672582957 /nfs/dbraw/zinc/58/29/57/672582957.db2.gz GUXMFSXNBNVGEV-MJVIPROJSA-N 1 1 353.806 2.178 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@H]32)cc1SC ZINC000590445428 672583433 /nfs/dbraw/zinc/58/34/33/672583433.db2.gz LWHLAYJGNFOGCJ-ZWNOBZJWSA-N 1 1 351.428 2.101 20 5 FEBDMO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000611374247 676034476 /nfs/dbraw/zinc/03/44/76/676034476.db2.gz HRUFNRIBQVTHIZ-QGZVFWFLSA-N 1 1 350.438 2.334 20 5 FEBDMO C[C@@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000591727749 672705340 /nfs/dbraw/zinc/70/53/40/672705340.db2.gz FVJNLEJXWZSBKT-RDJZCZTQSA-N 1 1 351.447 2.046 20 5 FEBDMO C[C@@H]1CC2(C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182506 672768108 /nfs/dbraw/zinc/76/81/08/672768108.db2.gz BQRHDPVYGGMUNW-HUUCEWRRSA-N 1 1 350.415 2.226 20 5 FEBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592185811 672769082 /nfs/dbraw/zinc/76/90/82/672769082.db2.gz RKLHXCANAQYOJO-AWEZNQCLSA-N 1 1 361.320 2.104 20 5 FEBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592185811 672769084 /nfs/dbraw/zinc/76/90/84/672769084.db2.gz RKLHXCANAQYOJO-AWEZNQCLSA-N 1 1 361.320 2.104 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](CC)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000593070287 672871815 /nfs/dbraw/zinc/87/18/15/672871815.db2.gz WBWHSCNEFQLSCE-CYBMUJFWSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000593070287 672871817 /nfs/dbraw/zinc/87/18/17/672871817.db2.gz WBWHSCNEFQLSCE-CYBMUJFWSA-N 1 1 351.403 2.433 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCOC1 ZINC000593071101 672872169 /nfs/dbraw/zinc/87/21/69/672872169.db2.gz ZTPOCKXIGXQEDV-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000593204916 672891100 /nfs/dbraw/zinc/89/11/00/672891100.db2.gz RUNUYBMTRYBQEC-UHFFFAOYSA-N 1 1 351.403 2.074 20 5 FEBDMO CC[N@@H+](CCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C)C1CCCCC1 ZINC000593248948 672898672 /nfs/dbraw/zinc/89/86/72/672898672.db2.gz HZMJQGYGBMERLJ-UHFFFAOYSA-N 1 1 351.451 2.411 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484927 673088513 /nfs/dbraw/zinc/08/85/13/673088513.db2.gz YCUIECZGBCMNTJ-ZIAGYGMSSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790817 673143945 /nfs/dbraw/zinc/14/39/45/673143945.db2.gz XQCXFVISTXOWOD-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790817 673143948 /nfs/dbraw/zinc/14/39/48/673143948.db2.gz XQCXFVISTXOWOD-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594793926 673145212 /nfs/dbraw/zinc/14/52/12/673145212.db2.gz WMPLVAULVIKRJZ-CYBMUJFWSA-N 1 1 355.460 2.302 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000595411756 673245894 /nfs/dbraw/zinc/24/58/94/673245894.db2.gz SSJCUPISKAJEEM-MRXNPFEDSA-N 1 1 367.471 2.136 20 5 FEBDMO O=C(C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595637826 673277525 /nfs/dbraw/zinc/27/75/25/673277525.db2.gz XDBKNVSVSKISKS-NTZNESFSSA-N 1 1 353.806 2.280 20 5 FEBDMO O=C(C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595637826 673277527 /nfs/dbraw/zinc/27/75/27/673277527.db2.gz XDBKNVSVSKISKS-NTZNESFSSA-N 1 1 353.806 2.280 20 5 FEBDMO C[C@H]1COC2(CCCC2)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595815331 673327250 /nfs/dbraw/zinc/32/72/50/673327250.db2.gz OEQSZMKDAHVZMU-HOCLYGCPSA-N 1 1 350.415 2.368 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596306512 673375980 /nfs/dbraw/zinc/37/59/80/673375980.db2.gz FFTBJPCDVWZXCH-LBPRGKRZSA-N 1 1 350.419 2.617 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596335189 673377981 /nfs/dbraw/zinc/37/79/81/673377981.db2.gz GNWUKDQNDLWFSR-GFCCVEGCSA-N 1 1 370.475 2.130 20 5 FEBDMO Nc1c(NC(=O)NCC[NH+]2CCSCC2)cc(Cl)cc1[N+](=O)[O-] ZINC000597095482 673447073 /nfs/dbraw/zinc/44/70/73/673447073.db2.gz WTKNXYWPPNBPQS-UHFFFAOYSA-N 1 1 359.839 2.001 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000597202549 673456299 /nfs/dbraw/zinc/45/62/99/673456299.db2.gz DZURMYVDLRIPPH-CQSZACIVSA-N 1 1 357.357 2.103 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000598466774 673572722 /nfs/dbraw/zinc/57/27/22/673572722.db2.gz UUTRWKZMXAFKNK-UHFFFAOYSA-N 1 1 353.419 2.219 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598611957 673590473 /nfs/dbraw/zinc/59/04/73/673590473.db2.gz WSFLJBZUQHIGSK-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO O=[N+]([O-])c1cnc(NC2CC([NH+]3CCOCC3)C2)c(Br)c1 ZINC000599095453 673632912 /nfs/dbraw/zinc/63/29/12/673632912.db2.gz VFNOOYTVASISQG-UHFFFAOYSA-N 1 1 357.208 2.027 20 5 FEBDMO COc1cc(NCCC[N@H+]2CCC[C@H]2C(N)=O)c(Cl)cc1[N+](=O)[O-] ZINC000599131485 673635650 /nfs/dbraw/zinc/63/56/50/673635650.db2.gz XDQWUIIUPWEXJW-LBPRGKRZSA-N 1 1 356.810 2.009 20 5 FEBDMO CC1(C)CC(C[NH+]2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000599255708 673649527 /nfs/dbraw/zinc/64/95/27/673649527.db2.gz HZUXOWRVEPJNQO-UHFFFAOYSA-N 1 1 367.471 2.337 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464181 673678771 /nfs/dbraw/zinc/67/87/71/673678771.db2.gz JTMFQIUNJMUFHN-LBPRGKRZSA-N 1 1 359.473 2.260 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464181 673678775 /nfs/dbraw/zinc/67/87/75/673678775.db2.gz JTMFQIUNJMUFHN-LBPRGKRZSA-N 1 1 359.473 2.260 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546880528 673825043 /nfs/dbraw/zinc/82/50/43/673825043.db2.gz ZNMPCIUXPNZAGD-OAHLLOKOSA-N 1 1 355.460 2.384 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601355910 673847113 /nfs/dbraw/zinc/84/71/13/673847113.db2.gz BAJAHIOBTPIOPN-DGCLKSJQSA-N 1 1 359.423 2.003 20 5 FEBDMO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CCO ZINC000614831783 676193174 /nfs/dbraw/zinc/19/31/74/676193174.db2.gz PSSGUUHOCHLPHZ-UHFFFAOYSA-N 1 1 356.810 2.169 20 5 FEBDMO CC1(C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000614831783 676193175 /nfs/dbraw/zinc/19/31/75/676193175.db2.gz PSSGUUHOCHLPHZ-UHFFFAOYSA-N 1 1 356.810 2.169 20 5 FEBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601594227 673885172 /nfs/dbraw/zinc/88/51/72/673885172.db2.gz XZTSSUMJHIVZQP-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO CNC(=O)[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(C)C ZINC000602582593 673908351 /nfs/dbraw/zinc/90/83/51/673908351.db2.gz NZNCODPYIRJNTO-VIFPVBQESA-N 1 1 350.238 2.279 20 5 FEBDMO O=C1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1 ZINC000602588008 673908376 /nfs/dbraw/zinc/90/83/76/673908376.db2.gz LKKSWCJQTHYBIQ-SSDOTTSWSA-N 1 1 360.233 2.272 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000602889781 673912657 /nfs/dbraw/zinc/91/26/57/673912657.db2.gz VMQVGTKWCTWPRM-KFWWJZLASA-N 1 1 350.419 2.153 20 5 FEBDMO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2C1)C(F)(F)F ZINC000824831180 675624316 /nfs/dbraw/zinc/62/43/16/675624316.db2.gz VMJWORRRIFXJCI-AAEUAGOBSA-N 1 1 357.332 2.437 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000825756322 675667500 /nfs/dbraw/zinc/66/75/00/675667500.db2.gz PEUYATXIPHXELJ-HOCLYGCPSA-N 1 1 367.833 2.228 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000603659045 675800730 /nfs/dbraw/zinc/80/07/30/675800730.db2.gz SZNXUOPOTDUQME-TZMCWYRMSA-N 1 1 355.460 2.302 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959020 675855341 /nfs/dbraw/zinc/85/53/41/675855341.db2.gz KMGXDTXEXGQIGQ-GHMZBOCLSA-N 1 1 356.785 2.278 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000615833532 676231494 /nfs/dbraw/zinc/23/14/94/676231494.db2.gz XMAFOHAYKSPCBE-CTXBLAANSA-N 1 1 353.444 2.012 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000615833532 676231495 /nfs/dbraw/zinc/23/14/95/676231495.db2.gz XMAFOHAYKSPCBE-CTXBLAANSA-N 1 1 353.444 2.012 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000619498491 676381876 /nfs/dbraw/zinc/38/18/76/676381876.db2.gz MRKOBBUYQYPGMK-OLZOCXBDSA-N 1 1 371.459 2.002 20 5 FEBDMO CC(C)OCCC[N@H+](C)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840006584 680792467 /nfs/dbraw/zinc/79/24/67/680792467.db2.gz DEYQAPBTMGVOJX-KRWDZBQOSA-N 1 1 351.403 2.236 20 5 FEBDMO CC(C)OCCC[N@@H+](C)CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840006584 680792468 /nfs/dbraw/zinc/79/24/68/680792468.db2.gz DEYQAPBTMGVOJX-KRWDZBQOSA-N 1 1 351.403 2.236 20 5 FEBDMO C[C@H]1CSCC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840056823 680795503 /nfs/dbraw/zinc/79/55/03/680795503.db2.gz WVPXXGGWEODCKW-WBMJQRKESA-N 1 1 351.428 2.174 20 5 FEBDMO C[C@H]1CSCC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840056823 680795505 /nfs/dbraw/zinc/79/55/05/680795505.db2.gz WVPXXGGWEODCKW-WBMJQRKESA-N 1 1 351.428 2.174 20 5 FEBDMO C[N@H+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CCC1(C)C ZINC000874099401 685295256 /nfs/dbraw/zinc/29/52/56/685295256.db2.gz WWLVWMGWXMUHKN-UHFFFAOYSA-N 1 1 368.821 2.129 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000833553957 680195597 /nfs/dbraw/zinc/19/55/97/680195597.db2.gz YNDLXEHARGQXGE-GFCCVEGCSA-N 1 1 355.822 2.133 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000753804005 680316189 /nfs/dbraw/zinc/31/61/89/680316189.db2.gz OFKCADRHVGVIQH-VIFPVBQESA-N 1 1 356.220 2.442 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000753804005 680316191 /nfs/dbraw/zinc/31/61/91/680316191.db2.gz OFKCADRHVGVIQH-VIFPVBQESA-N 1 1 356.220 2.442 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccccc2Cl)CC1 ZINC000997773070 680365623 /nfs/dbraw/zinc/36/56/23/680365623.db2.gz RSLUNTNQNSZBIU-GDBMZVCRSA-N 1 1 351.834 2.333 20 5 FEBDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000835931993 680399973 /nfs/dbraw/zinc/39/99/73/680399973.db2.gz HMMMOARSMDJFEX-LLVKDONJSA-N 1 1 368.821 2.129 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000836089714 680419890 /nfs/dbraw/zinc/41/98/90/680419890.db2.gz PZWSLGRMFGMCTE-GFCCVEGCSA-N 1 1 368.821 2.128 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000836090269 680419958 /nfs/dbraw/zinc/41/99/58/680419958.db2.gz XGZKBAWPHYHPGP-GFCCVEGCSA-N 1 1 368.821 2.128 20 5 FEBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC([NH+]2CCCC2)C1 ZINC000912324646 685352536 /nfs/dbraw/zinc/35/25/36/685352536.db2.gz GITQFLGKRUWQBY-UHFFFAOYSA-N 1 1 372.194 2.417 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836638811 680493493 /nfs/dbraw/zinc/49/34/93/680493493.db2.gz JPVNYAOMWLKGQW-LBPRGKRZSA-N 1 1 355.822 2.397 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000767453025 680912217 /nfs/dbraw/zinc/91/22/17/680912217.db2.gz AOCWSSRJENHWPH-LBPRGKRZSA-N 1 1 364.427 2.116 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cs1 ZINC000768861762 680962032 /nfs/dbraw/zinc/96/20/32/680962032.db2.gz CFBKLIHCRJMDOZ-UHFFFAOYSA-N 1 1 351.369 2.038 20 5 FEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000842826348 680969930 /nfs/dbraw/zinc/96/99/30/680969930.db2.gz NCIZJRFUGOHZTI-NSHDSACASA-N 1 1 361.851 2.319 20 5 FEBDMO Cc1c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000769141885 680972472 /nfs/dbraw/zinc/97/24/72/680972472.db2.gz PLOBYFJHVVYTMT-UWVGGRQHSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000769141885 680972473 /nfs/dbraw/zinc/97/24/73/680972473.db2.gz PLOBYFJHVVYTMT-UWVGGRQHSA-N 1 1 350.375 2.284 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1sccc1Cl)CC2 ZINC001050516963 681049161 /nfs/dbraw/zinc/04/91/61/681049161.db2.gz LDZXNJBKTJQBSL-DGCLKSJQSA-N 1 1 369.874 2.491 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+](C)CC(C)C ZINC000845956725 681164972 /nfs/dbraw/zinc/16/49/72/681164972.db2.gz NZPUNROSWYRUIL-UHFFFAOYSA-N 1 1 361.439 2.299 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c1 ZINC000933714016 681456480 /nfs/dbraw/zinc/45/64/80/681456480.db2.gz SYVHMEGFKZGOKC-JTQLQIEISA-N 1 1 356.308 2.090 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000777798496 681531658 /nfs/dbraw/zinc/53/16/58/681531658.db2.gz PMKQPFRHXNWESP-NSHDSACASA-N 1 1 363.443 2.450 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000934594204 681598166 /nfs/dbraw/zinc/59/81/66/681598166.db2.gz XTXRAVHXMHCTNR-ZDUSSCGKSA-N 1 1 367.833 2.114 20 5 FEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCOC[C@H]2CC2CCOCC2)cc1 ZINC000934638327 681604346 /nfs/dbraw/zinc/60/43/46/681604346.db2.gz MMGMEEQWXBPSSC-QZTJIDSGSA-N 1 1 350.415 2.146 20 5 FEBDMO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCOC[C@H]2CC2CCOCC2)cc1 ZINC000934638327 681604350 /nfs/dbraw/zinc/60/43/50/681604350.db2.gz MMGMEEQWXBPSSC-QZTJIDSGSA-N 1 1 350.415 2.146 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000934774773 681630207 /nfs/dbraw/zinc/63/02/07/681630207.db2.gz USGDUYBXPXONMS-BZNIZROVSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)c([N+](=O)[O-])c1 ZINC000934774773 681630209 /nfs/dbraw/zinc/63/02/09/681630209.db2.gz USGDUYBXPXONMS-BZNIZROVSA-N 1 1 351.428 2.227 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000849412459 681721082 /nfs/dbraw/zinc/72/10/82/681721082.db2.gz OGYGPYKOMWFZRY-LLVKDONJSA-N 1 1 359.423 2.193 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000849412459 681721087 /nfs/dbraw/zinc/72/10/87/681721087.db2.gz OGYGPYKOMWFZRY-LLVKDONJSA-N 1 1 359.423 2.193 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850505249 681909812 /nfs/dbraw/zinc/90/98/12/681909812.db2.gz PYHHPODYSPVRTA-LLVKDONJSA-N 1 1 368.821 2.176 20 5 FEBDMO CC1(C)CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000783713387 682168535 /nfs/dbraw/zinc/16/85/35/682168535.db2.gz AZQFSGKWRMSUCV-UHFFFAOYSA-N 1 1 372.263 2.246 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C ZINC000918744477 685541874 /nfs/dbraw/zinc/54/18/74/685541874.db2.gz IUEJKMRQQHPTHP-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000855285916 682653798 /nfs/dbraw/zinc/65/37/98/682653798.db2.gz JMEQPCVXKYAVSW-SECBINFHSA-N 1 1 371.235 2.355 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000856254421 682758265 /nfs/dbraw/zinc/75/82/65/682758265.db2.gz BPOJVWWJAHNLDX-ZDUSSCGKSA-N 1 1 367.833 2.228 20 5 FEBDMO COC(=O)[C@]12C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]1COCC2 ZINC000793344226 682883589 /nfs/dbraw/zinc/88/35/89/682883589.db2.gz ALTBKYYVYHAVHA-BLLLJJGKSA-N 1 1 354.790 2.260 20 5 FEBDMO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000796156288 683133757 /nfs/dbraw/zinc/13/37/57/683133757.db2.gz BSOYAHXHXUAGNI-CQSZACIVSA-N 1 1 353.423 2.172 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000796195914 683139732 /nfs/dbraw/zinc/13/97/32/683139732.db2.gz AJCGZHJZFSUVFS-LBPRGKRZSA-N 1 1 359.423 2.195 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000796294765 683150723 /nfs/dbraw/zinc/15/07/23/683150723.db2.gz NIHSFPFTQVITFT-CQSZACIVSA-N 1 1 362.304 2.401 20 5 FEBDMO Cc1c[nH+]cn1CC(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000859952358 683177179 /nfs/dbraw/zinc/17/71/79/683177179.db2.gz XWLRIGPUXLWNTQ-JTQLQIEISA-N 1 1 366.761 2.324 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928090404 683379576 /nfs/dbraw/zinc/37/95/76/683379576.db2.gz HXVZCQBHECDNAS-HZPDHXFCSA-N 1 1 360.439 2.386 20 5 FEBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342958 683391730 /nfs/dbraw/zinc/39/17/30/683391730.db2.gz FQCPLQKAGJZDHP-SUMWQHHRSA-N 1 1 351.403 2.049 20 5 FEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921681316 683542054 /nfs/dbraw/zinc/54/20/54/683542054.db2.gz UTXZORLSZAMKMJ-JKSUJKDBSA-N 1 1 364.471 2.016 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862551936 683601007 /nfs/dbraw/zinc/60/10/07/683601007.db2.gz QWXBEQYPGQCDGW-LBPRGKRZSA-N 1 1 361.851 2.009 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862551936 683601010 /nfs/dbraw/zinc/60/10/10/683601010.db2.gz QWXBEQYPGQCDGW-LBPRGKRZSA-N 1 1 361.851 2.009 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000929832714 683644300 /nfs/dbraw/zinc/64/43/00/683644300.db2.gz DZBSSPGTYLUKGR-BXKDBHETSA-N 1 1 356.329 2.364 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866893076 684175818 /nfs/dbraw/zinc/17/58/18/684175818.db2.gz KBSUVFAKUVZFPO-GFCCVEGCSA-N 1 1 359.423 2.005 20 5 FEBDMO C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000931731343 684338561 /nfs/dbraw/zinc/33/85/61/684338561.db2.gz AUYVGCFMMACCPC-PELKAZGASA-N 1 1 364.299 2.341 20 5 FEBDMO C[C@@H]1[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000924008945 684387562 /nfs/dbraw/zinc/38/75/62/684387562.db2.gz SLJGGJRLFAHWMM-BXKDBHETSA-N 1 1 371.235 2.249 20 5 FEBDMO COC(=O)C[C@@H]1C[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000932100636 684407739 /nfs/dbraw/zinc/40/77/39/684407739.db2.gz DJVGVJBKXMWAEX-DGCLKSJQSA-N 1 1 350.371 2.012 20 5 FEBDMO COC(=O)C[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000932100636 684407740 /nfs/dbraw/zinc/40/77/40/684407740.db2.gz DJVGVJBKXMWAEX-DGCLKSJQSA-N 1 1 350.371 2.012 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872666608 685001534 /nfs/dbraw/zinc/00/15/34/685001534.db2.gz XALRUJXODZLJHS-CHWSQXEVSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872666608 685001535 /nfs/dbraw/zinc/00/15/35/685001535.db2.gz XALRUJXODZLJHS-CHWSQXEVSA-N 1 1 373.862 2.414 20 5 FEBDMO CCOC(=O)[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000879371147 686807176 /nfs/dbraw/zinc/80/71/76/686807176.db2.gz ZWYQHBHAFRTLMO-KGLIPLIRSA-N 1 1 358.341 2.149 20 5 FEBDMO CCOC(=O)[C@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000879371147 686807184 /nfs/dbraw/zinc/80/71/84/686807184.db2.gz ZWYQHBHAFRTLMO-KGLIPLIRSA-N 1 1 358.341 2.149 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000879583416 686863501 /nfs/dbraw/zinc/86/35/01/686863501.db2.gz YUUONQVVUHQOKW-MLGOLLRUSA-N 1 1 350.394 2.089 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133976 687004345 /nfs/dbraw/zinc/00/43/45/687004345.db2.gz KJQFZGRDYTWYHA-UONOGXRCSA-N 1 1 352.822 2.355 20 5 FEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000882480725 687374409 /nfs/dbraw/zinc/37/44/09/687374409.db2.gz AIQIGRXRQLNEHG-VIFPVBQESA-N 1 1 359.329 2.029 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884951474 687972774 /nfs/dbraw/zinc/97/27/74/687972774.db2.gz DZAJHFXVPBFUKW-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887934708 688522623 /nfs/dbraw/zinc/52/26/23/688522623.db2.gz RJGPUZYVKPCZPL-NVGCLXPQSA-N 1 1 367.833 2.426 20 5 FEBDMO CC[NH+]1CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889732094 688813504 /nfs/dbraw/zinc/81/35/04/688813504.db2.gz ZZWULMWADVJNER-UHFFFAOYSA-N 1 1 371.235 2.204 20 5 FEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] ZINC000893535875 689362878 /nfs/dbraw/zinc/36/28/78/689362878.db2.gz QQNOJQBIYHDRRP-ZDUSSCGKSA-N 1 1 352.387 2.284 20 5 FEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000893870528 689420743 /nfs/dbraw/zinc/42/07/43/689420743.db2.gz CGMQJDMRDRZSKM-CYBMUJFWSA-N 1 1 353.444 2.047 20 5 FEBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000895245011 689683191 /nfs/dbraw/zinc/68/31/91/689683191.db2.gz CEOGJAFPJWHCFT-IINYFYTJSA-N 1 1 357.252 2.404 20 5 FEBDMO C[C@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895244918 689683231 /nfs/dbraw/zinc/68/32/31/689683231.db2.gz ATKKDTRDWLNFDV-GWCFXTLKSA-N 1 1 357.252 2.404 20 5 FEBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1C[N@@H+](C)CCN1C ZINC000895245012 689683557 /nfs/dbraw/zinc/68/35/57/689683557.db2.gz CEOGJAFPJWHCFT-QMTHXVAHSA-N 1 1 357.252 2.404 20 5 FEBDMO CC[N@H+](CCC(=O)NC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000897709116 690068390 /nfs/dbraw/zinc/06/83/90/690068390.db2.gz JPKAMADEMAMMSB-UHFFFAOYSA-N 1 1 350.238 2.377 20 5 FEBDMO CC[N@@H+](CCC(=O)NC)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000897709116 690068393 /nfs/dbraw/zinc/06/83/93/690068393.db2.gz JPKAMADEMAMMSB-UHFFFAOYSA-N 1 1 350.238 2.377 20 5 FEBDMO CCS(=O)(=O)NC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000903010249 690830825 /nfs/dbraw/zinc/83/08/25/690830825.db2.gz RMUHXCNOEYCOPQ-CYBMUJFWSA-N 1 1 355.460 2.368 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000906978039 691358810 /nfs/dbraw/zinc/35/88/10/691358810.db2.gz VXYQJRVPJNHYIN-HNNXBMFYSA-N 1 1 367.833 2.114 20 5 FEBDMO Nc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164907538 721551683 /nfs/dbraw/zinc/55/16/83/721551683.db2.gz OCUDDDXAOTZDLZ-HOCLYGCPSA-N 1 1 373.388 2.053 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931231 721861458 /nfs/dbraw/zinc/86/14/58/721861458.db2.gz UJLZHTWBJSKPRQ-ZWKOTPCHSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931231 721861460 /nfs/dbraw/zinc/86/14/60/721861460.db2.gz UJLZHTWBJSKPRQ-ZWKOTPCHSA-N 1 1 355.442 2.358 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931228 721861490 /nfs/dbraw/zinc/86/14/90/721861490.db2.gz UJLZHTWBJSKPRQ-MSOLQXFVSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931228 721861491 /nfs/dbraw/zinc/86/14/91/721861491.db2.gz UJLZHTWBJSKPRQ-MSOLQXFVSA-N 1 1 355.442 2.358 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000359872607 210194034 /nfs/dbraw/zinc/19/40/34/210194034.db2.gz OPYXUNYYBMUTKP-IRXDYDNUSA-N 1 1 357.410 2.294 20 5 FEBDMO O=C(C[NH+]1CCC(n2cncn2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000109698891 210183801 /nfs/dbraw/zinc/18/38/01/210183801.db2.gz WSCPZKBGLJGYCZ-UHFFFAOYSA-N 1 1 364.793 2.115 20 5 FEBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000025579453 539763543 /nfs/dbraw/zinc/76/35/43/539763543.db2.gz GXUFWAMLCPKZGA-UHFFFAOYSA-N 1 1 360.336 2.236 20 5 FEBDMO COCC[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CCCC1 ZINC000026447802 539786571 /nfs/dbraw/zinc/78/65/71/539786571.db2.gz KDFPSBBLMKIDBI-UHFFFAOYSA-N 1 1 365.386 2.153 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000028013335 539823734 /nfs/dbraw/zinc/82/37/34/539823734.db2.gz NYKOYNFLIUUBOY-CYBMUJFWSA-N 1 1 355.822 2.335 20 5 FEBDMO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000030317623 539879238 /nfs/dbraw/zinc/87/92/38/539879238.db2.gz MEYHRLNFWZNDFS-UHFFFAOYSA-N 1 1 369.377 2.112 20 5 FEBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000030317623 539879241 /nfs/dbraw/zinc/87/92/41/539879241.db2.gz MEYHRLNFWZNDFS-UHFFFAOYSA-N 1 1 369.377 2.112 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000047032690 540286237 /nfs/dbraw/zinc/28/62/37/540286237.db2.gz ALPGRFVNZZJDRP-OAHLLOKOSA-N 1 1 367.402 2.315 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000047142584 540292547 /nfs/dbraw/zinc/29/25/47/540292547.db2.gz AQFIKZQXNRREHA-CYBMUJFWSA-N 1 1 363.414 2.376 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000050995321 540418160 /nfs/dbraw/zinc/41/81/60/540418160.db2.gz GRMLQMNLYBXQGD-AWEZNQCLSA-N 1 1 373.413 2.383 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000050995321 540418163 /nfs/dbraw/zinc/41/81/63/540418163.db2.gz GRMLQMNLYBXQGD-AWEZNQCLSA-N 1 1 373.413 2.383 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOCCOc3ccccc3)CC2)cn1 ZINC000051424304 540433867 /nfs/dbraw/zinc/43/38/67/540433867.db2.gz GULSAVCKNNGRLR-UHFFFAOYSA-N 1 1 372.425 2.207 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000052247431 540460205 /nfs/dbraw/zinc/46/02/05/540460205.db2.gz USVNVFVAVDVQIL-CYBMUJFWSA-N 1 1 370.475 2.309 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000053667207 540547927 /nfs/dbraw/zinc/54/79/27/540547927.db2.gz AGJBHKOPODDUFR-QWHCGFSZSA-N 1 1 359.835 2.153 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CC3CC3)CC2)cc1OC ZINC000055669309 540669063 /nfs/dbraw/zinc/66/90/63/540669063.db2.gz RZXKYBVYOFHQAO-UHFFFAOYSA-N 1 1 363.414 2.170 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000056116952 540704521 /nfs/dbraw/zinc/70/45/21/540704521.db2.gz HTIXKDUSBBRCTP-UHFFFAOYSA-N 1 1 358.807 2.122 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000056240508 540713366 /nfs/dbraw/zinc/71/33/66/540713366.db2.gz QHPSSZBPRCWPCG-ZIAGYGMSSA-N 1 1 372.429 2.026 20 5 FEBDMO C[NH+]1CCN([C@@H](C(=O)NCc2ccccc2[N+](=O)[O-])c2ccccc2)CC1 ZINC000057913031 540823696 /nfs/dbraw/zinc/82/36/96/540823696.db2.gz FWIVPRRFMXMKGU-LJQANCHMSA-N 1 1 368.437 2.200 20 5 FEBDMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000067329904 541445720 /nfs/dbraw/zinc/44/57/20/541445720.db2.gz QACMLNRHZZADBB-UHFFFAOYSA-N 1 1 368.437 2.029 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000067429490 541463280 /nfs/dbraw/zinc/46/32/80/541463280.db2.gz BUUJIZBXUYQWFQ-LSDHHAIUSA-N 1 1 353.444 2.062 20 5 FEBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c2)CCO1 ZINC000067810168 541515722 /nfs/dbraw/zinc/51/57/22/541515722.db2.gz MAZPBYOGGJTPMZ-ZDUSSCGKSA-N 1 1 359.382 2.339 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])o3)c2)CCO1 ZINC000067810168 541515727 /nfs/dbraw/zinc/51/57/27/541515727.db2.gz MAZPBYOGGJTPMZ-ZDUSSCGKSA-N 1 1 359.382 2.339 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000069033513 541650489 /nfs/dbraw/zinc/65/04/89/541650489.db2.gz UVCXNBAAIBCHBZ-MSOLQXFVSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000069033513 541650490 /nfs/dbraw/zinc/65/04/90/541650490.db2.gz UVCXNBAAIBCHBZ-MSOLQXFVSA-N 1 1 363.458 2.285 20 5 FEBDMO C[N@@H+](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000069111423 541658485 /nfs/dbraw/zinc/65/84/85/541658485.db2.gz YNLDHHPCMTVNAS-UHFFFAOYSA-N 1 1 350.419 2.147 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)C1CCCCC1 ZINC000071080208 541762893 /nfs/dbraw/zinc/76/28/93/541762893.db2.gz RFDKLUVDTTUTQA-UHFFFAOYSA-N 1 1 351.403 2.169 20 5 FEBDMO COCCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000072796597 541865954 /nfs/dbraw/zinc/86/59/54/541865954.db2.gz CZCKZNKHWVNQAK-GFCCVEGCSA-N 1 1 371.821 2.172 20 5 FEBDMO COCCOC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000072796597 541865956 /nfs/dbraw/zinc/86/59/56/541865956.db2.gz CZCKZNKHWVNQAK-GFCCVEGCSA-N 1 1 371.821 2.172 20 5 FEBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000074105030 542038501 /nfs/dbraw/zinc/03/85/01/542038501.db2.gz DJIQQEBPERJPNI-OAHLLOKOSA-N 1 1 364.446 2.014 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000075924222 542215568 /nfs/dbraw/zinc/21/55/68/542215568.db2.gz ISYLGAQFYKQYQX-OLZOCXBDSA-N 1 1 371.459 2.145 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075956188 542218240 /nfs/dbraw/zinc/21/82/40/542218240.db2.gz UAWHEWXLEWHAQV-UHFFFAOYSA-N 1 1 369.853 2.397 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000075964893 542219022 /nfs/dbraw/zinc/21/90/22/542219022.db2.gz GFFCAUZNHIVTLR-HOCLYGCPSA-N 1 1 362.455 2.266 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000076191142 542240997 /nfs/dbraw/zinc/24/09/97/542240997.db2.gz OQDQQRGGBCZHIS-UONOGXRCSA-N 1 1 355.460 2.444 20 5 FEBDMO Cc1ccc(C(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000077452484 542384169 /nfs/dbraw/zinc/38/41/69/542384169.db2.gz CHXMWMVBVDCOIG-INIZCTEOSA-N 1 1 360.458 2.003 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078203631 542447301 /nfs/dbraw/zinc/44/73/01/542447301.db2.gz XHYCJZPRJIRTFP-PSOPSSQASA-N 1 1 351.353 2.429 20 5 FEBDMO C[C@@H]1C[NH+](Cc2cccc(Nc3ncc([N+](=O)[O-])c(N)n3)c2)C[C@@H](C)O1 ZINC000077983192 542435434 /nfs/dbraw/zinc/43/54/34/542435434.db2.gz GIMPYCIUWHUKDV-VXGBXAGGSA-N 1 1 358.402 2.320 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])[nH+]1 ZINC000080631647 542598895 /nfs/dbraw/zinc/59/88/95/542598895.db2.gz IJAKVXJDNKQXKS-UHFFFAOYSA-N 1 1 364.427 2.305 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891508 543253221 /nfs/dbraw/zinc/25/32/21/543253221.db2.gz GQWMDMRZWURJSS-ZDUSSCGKSA-N 1 1 353.444 2.198 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131949 543314983 /nfs/dbraw/zinc/31/49/83/543314983.db2.gz WJSCXXUIWDRBEU-DLBZAZTESA-N 1 1 355.398 2.234 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131949 543314985 /nfs/dbraw/zinc/31/49/85/543314985.db2.gz WJSCXXUIWDRBEU-DLBZAZTESA-N 1 1 355.398 2.234 20 5 FEBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110953034 543375115 /nfs/dbraw/zinc/37/51/15/543375115.db2.gz LHYCGRHILRFWOK-OAHLLOKOSA-N 1 1 372.425 2.403 20 5 FEBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000110974741 543376364 /nfs/dbraw/zinc/37/63/64/543376364.db2.gz HQLHMFMOOPGAJT-CQSZACIVSA-N 1 1 351.451 2.117 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000113301441 543483201 /nfs/dbraw/zinc/48/32/01/543483201.db2.gz IGJUYIGFZPSFNP-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114382471 543513008 /nfs/dbraw/zinc/51/30/08/543513008.db2.gz RFRUHNHEWIVEPN-UHFFFAOYSA-N 1 1 368.865 2.252 20 5 FEBDMO O=C(NCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000123542140 543768453 /nfs/dbraw/zinc/76/84/53/543768453.db2.gz GETNNPCZPVLQDE-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000124491139 543825769 /nfs/dbraw/zinc/82/57/69/543825769.db2.gz IIZRUMIMUXSBAU-LBPRGKRZSA-N 1 1 352.410 2.414 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124053668 543798467 /nfs/dbraw/zinc/79/84/67/543798467.db2.gz ZSDFJEWAMLDFFI-ONGXEEELSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124053668 543798469 /nfs/dbraw/zinc/79/84/69/543798469.db2.gz ZSDFJEWAMLDFFI-ONGXEEELSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000126187473 543923025 /nfs/dbraw/zinc/92/30/25/543923025.db2.gz CFFAMAXQYBPFTJ-STQMWFEESA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000126187473 543923027 /nfs/dbraw/zinc/92/30/27/543923027.db2.gz CFFAMAXQYBPFTJ-STQMWFEESA-N 1 1 353.444 2.115 20 5 FEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000126260629 543926455 /nfs/dbraw/zinc/92/64/55/543926455.db2.gz PWSKINDEYJZDDS-MWLCHTKSSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000126260629 543926458 /nfs/dbraw/zinc/92/64/58/543926458.db2.gz PWSKINDEYJZDDS-MWLCHTKSSA-N 1 1 359.835 2.152 20 5 FEBDMO CCC[C@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@H+]1CCOC ZINC000128008648 544027351 /nfs/dbraw/zinc/02/73/51/544027351.db2.gz GILUQNNVACPGDN-KRWDZBQOSA-N 1 1 363.458 2.405 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000127306889 543985052 /nfs/dbraw/zinc/98/50/52/543985052.db2.gz IXYKFMQSHJIWOB-SJKOYZFVSA-N 1 1 372.425 2.239 20 5 FEBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)NCc1cccc([N+](=O)[O-])c1 ZINC000129140927 544092825 /nfs/dbraw/zinc/09/28/25/544092825.db2.gz UMYGHPPUNSPJGD-UHFFFAOYSA-N 1 1 354.410 2.452 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)C2CC2)cc1 ZINC000130821918 544166652 /nfs/dbraw/zinc/16/66/52/544166652.db2.gz VLOLPNIIFNQKBE-MSOLQXFVSA-N 1 1 350.415 2.116 20 5 FEBDMO C[C@H]1C[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000131961204 544213615 /nfs/dbraw/zinc/21/36/15/544213615.db2.gz OMLBRBLDAXLLEB-RDJZCZTQSA-N 1 1 371.441 2.208 20 5 FEBDMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000131997365 544214640 /nfs/dbraw/zinc/21/46/40/544214640.db2.gz VKIRKXLKIWFHQQ-WMLDXEAASA-N 1 1 360.414 2.283 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000133759619 544282101 /nfs/dbraw/zinc/28/21/01/544282101.db2.gz XLSBJZFHYNUYKJ-TZMCWYRMSA-N 1 1 364.402 2.224 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000134914037 544327054 /nfs/dbraw/zinc/32/70/54/544327054.db2.gz GZQVPKQFSQVAIT-GOEBONIOSA-N 1 1 371.441 2.306 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134932147 544328620 /nfs/dbraw/zinc/32/86/20/544328620.db2.gz IEESJVHSEASLAW-UHFFFAOYSA-N 1 1 368.865 2.346 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134932147 544328621 /nfs/dbraw/zinc/32/86/21/544328621.db2.gz IEESJVHSEASLAW-UHFFFAOYSA-N 1 1 368.865 2.346 20 5 FEBDMO CCOc1ccnc(N2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000135765440 544360578 /nfs/dbraw/zinc/36/05/78/544360578.db2.gz XCFFVBARCKGAAR-UHFFFAOYSA-N 1 1 357.414 2.496 20 5 FEBDMO CCOc1ccnc(N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000135765440 544360580 /nfs/dbraw/zinc/36/05/80/544360580.db2.gz XCFFVBARCKGAAR-UHFFFAOYSA-N 1 1 357.414 2.496 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000152865785 544704319 /nfs/dbraw/zinc/70/43/19/544704319.db2.gz OZTATBUCZXKHTJ-HIFRSBDPSA-N 1 1 353.444 2.008 20 5 FEBDMO COc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153517404 544785824 /nfs/dbraw/zinc/78/58/24/544785824.db2.gz QKCBAZIQUMVLPA-JTQLQIEISA-N 1 1 373.356 2.371 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]21 ZINC000154706493 544939705 /nfs/dbraw/zinc/93/97/05/544939705.db2.gz ZXIFFHZGVQKQKR-KSSFIOAISA-N 1 1 369.425 2.337 20 5 FEBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1[nH]ncc1[N+](=O)[O-] ZINC000154932745 544967653 /nfs/dbraw/zinc/96/76/53/544967653.db2.gz NLBPIJNIQRVFEK-GOOCMWNKSA-N 1 1 355.398 2.243 20 5 FEBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000154932745 544967658 /nfs/dbraw/zinc/96/76/58/544967658.db2.gz NLBPIJNIQRVFEK-GOOCMWNKSA-N 1 1 355.398 2.243 20 5 FEBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1n[nH]cc1[N+](=O)[O-] ZINC000154932745 544967661 /nfs/dbraw/zinc/96/76/61/544967661.db2.gz NLBPIJNIQRVFEK-GOOCMWNKSA-N 1 1 355.398 2.243 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154955084 544970869 /nfs/dbraw/zinc/97/08/69/544970869.db2.gz AJEMKWJNKYFLKM-HNNXBMFYSA-N 1 1 355.460 2.231 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000553227005 674246429 /nfs/dbraw/zinc/24/64/29/674246429.db2.gz NSDJBGWNNHXSNM-BETUJISGSA-N 1 1 371.459 2.145 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000553415372 674259921 /nfs/dbraw/zinc/25/99/21/674259921.db2.gz GJZFWPKMDRLXDS-STQMWFEESA-N 1 1 350.419 2.394 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183298786 327811007 /nfs/dbraw/zinc/81/10/07/327811007.db2.gz ZJCQJPWIPDBCAF-KRWDZBQOSA-N 1 1 371.397 2.141 20 5 FEBDMO CC(C)[C@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000804340740 674281413 /nfs/dbraw/zinc/28/14/13/674281413.db2.gz IZZHYTOBMGVNAJ-HNNXBMFYSA-N 1 1 351.407 2.187 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C)(CO)CC1 ZINC000186897723 327989285 /nfs/dbraw/zinc/98/92/85/327989285.db2.gz FBONHBLNXBNSGW-LBPRGKRZSA-N 1 1 351.403 2.025 20 5 FEBDMO CC[C@]1(CO)CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000189610599 328157917 /nfs/dbraw/zinc/15/79/17/328157917.db2.gz YBILMCSMLDEPDW-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000190204647 328194153 /nfs/dbraw/zinc/19/41/53/328194153.db2.gz XBIFHGIYYFPQBV-NWDGAFQWSA-N 1 1 350.341 2.063 20 5 FEBDMO CCc1n[nH]c(C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000190656575 328222448 /nfs/dbraw/zinc/22/24/48/328222448.db2.gz XBCJTYYQUSHKPW-GFCCVEGCSA-N 1 1 372.429 2.482 20 5 FEBDMO CCc1nnc(C2CCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000190656575 328222450 /nfs/dbraw/zinc/22/24/50/328222450.db2.gz XBCJTYYQUSHKPW-GFCCVEGCSA-N 1 1 372.429 2.482 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000191331994 328260646 /nfs/dbraw/zinc/26/06/46/328260646.db2.gz PHVHWWPKSBKCNL-AWEZNQCLSA-N 1 1 350.419 2.396 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000191331994 328260647 /nfs/dbraw/zinc/26/06/47/328260647.db2.gz PHVHWWPKSBKCNL-AWEZNQCLSA-N 1 1 350.419 2.396 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000191406338 328264178 /nfs/dbraw/zinc/26/41/78/328264178.db2.gz SMNHOPFGSDWLOH-CYBMUJFWSA-N 1 1 363.462 2.217 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000191656724 328276102 /nfs/dbraw/zinc/27/61/02/328276102.db2.gz ZCKVDDSCLHEDLT-SFHVURJKSA-N 1 1 365.430 2.415 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000192613412 328328679 /nfs/dbraw/zinc/32/86/79/328328679.db2.gz XBKRTPMPUZZRPA-UHFFFAOYSA-N 1 1 372.473 2.378 20 5 FEBDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000193719976 328391557 /nfs/dbraw/zinc/39/15/57/328391557.db2.gz HEKYHFHAAZDTSS-UHFFFAOYSA-N 1 1 355.394 2.303 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000090460740 325359100 /nfs/dbraw/zinc/35/91/00/325359100.db2.gz ZQZCMTZBZYZZPA-CHWSQXEVSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000090460740 325359102 /nfs/dbraw/zinc/35/91/02/325359102.db2.gz ZQZCMTZBZYZZPA-CHWSQXEVSA-N 1 1 353.806 2.231 20 5 FEBDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090515945 325361522 /nfs/dbraw/zinc/36/15/22/325361522.db2.gz GZQIVJQQRVCIGS-CQSZACIVSA-N 1 1 368.397 2.030 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000090519092 325362207 /nfs/dbraw/zinc/36/22/07/325362207.db2.gz LHPLJLKOIGMQJH-GOSISDBHSA-N 1 1 357.410 2.438 20 5 FEBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000090553680 325363122 /nfs/dbraw/zinc/36/31/22/325363122.db2.gz WRNIYMCOVRUKNM-OAHLLOKOSA-N 1 1 372.425 2.496 20 5 FEBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000090553680 325363123 /nfs/dbraw/zinc/36/31/23/325363123.db2.gz WRNIYMCOVRUKNM-OAHLLOKOSA-N 1 1 372.425 2.496 20 5 FEBDMO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000116271713 326003099 /nfs/dbraw/zinc/00/30/99/326003099.db2.gz OGLXKRGSLLXWJD-AWEZNQCLSA-N 1 1 367.833 2.319 20 5 FEBDMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000116271713 326003100 /nfs/dbraw/zinc/00/31/00/326003100.db2.gz OGLXKRGSLLXWJD-AWEZNQCLSA-N 1 1 367.833 2.319 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000116652532 326028617 /nfs/dbraw/zinc/02/86/17/326028617.db2.gz LELXTAJSBUMFQP-QWHCGFSZSA-N 1 1 351.451 2.035 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000118113025 326082266 /nfs/dbraw/zinc/08/22/66/326082266.db2.gz NQOHYVGTBCKVQW-CQSZACIVSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000122169960 326386360 /nfs/dbraw/zinc/38/63/60/326386360.db2.gz XHKABQBELVZLOY-HOCLYGCPSA-N 1 1 374.441 2.093 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000123968692 326445416 /nfs/dbraw/zinc/44/54/16/326445416.db2.gz SYSOULFKCINJTK-UHFFFAOYSA-N 1 1 364.446 2.095 20 5 FEBDMO O=C([C@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000163284803 327047958 /nfs/dbraw/zinc/04/79/58/327047958.db2.gz NCWQCTOONCYJDL-ZDUSSCGKSA-N 1 1 367.833 2.319 20 5 FEBDMO O=C([C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000163284803 327047960 /nfs/dbraw/zinc/04/79/60/327047960.db2.gz NCWQCTOONCYJDL-ZDUSSCGKSA-N 1 1 367.833 2.319 20 5 FEBDMO Cc1c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164140077 327065144 /nfs/dbraw/zinc/06/51/44/327065144.db2.gz CFYAMMMPWUHJFW-DOMZBBRYSA-N 1 1 362.386 2.368 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000164275201 327067761 /nfs/dbraw/zinc/06/77/61/327067761.db2.gz WDGBWYUCHKODJR-OCCSQVGLSA-N 1 1 363.414 2.168 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172299397 327193851 /nfs/dbraw/zinc/19/38/51/327193851.db2.gz YCLVCFCCKCSARO-DOMZBBRYSA-N 1 1 362.386 2.179 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](OCCO)C1 ZINC000172299397 327193853 /nfs/dbraw/zinc/19/38/53/327193853.db2.gz YCLVCFCCKCSARO-DOMZBBRYSA-N 1 1 362.386 2.179 20 5 FEBDMO CCN1CC[NH+](CCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000172408830 327200304 /nfs/dbraw/zinc/20/03/04/327200304.db2.gz JOMLLHHFZZQPTD-UHFFFAOYSA-N 1 1 362.474 2.061 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000173023138 327231008 /nfs/dbraw/zinc/23/10/08/327231008.db2.gz KMOHVTYGQLGCJN-JTQLQIEISA-N 1 1 359.835 2.011 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173668960 327275038 /nfs/dbraw/zinc/27/50/38/327275038.db2.gz QWSFUQBIOYMMOW-ZDUSSCGKSA-N 1 1 371.459 2.098 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000173668942 327275154 /nfs/dbraw/zinc/27/51/54/327275154.db2.gz QWSFUQBIOYMMOW-CYBMUJFWSA-N 1 1 371.459 2.098 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000173832190 327287475 /nfs/dbraw/zinc/28/74/75/327287475.db2.gz UVJGBTBJCCHEMD-ZIAGYGMSSA-N 1 1 353.444 2.151 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174141329 327308289 /nfs/dbraw/zinc/30/82/89/327308289.db2.gz FICHLZXBZNSJNX-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175130904 327375937 /nfs/dbraw/zinc/37/59/37/327375937.db2.gz ZZGGNBJNVKALFN-KGLIPLIRSA-N 1 1 355.460 2.315 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([N@@H+](C)CCCO)CC1 ZINC000175236576 327381771 /nfs/dbraw/zinc/38/17/71/327381771.db2.gz SZAOWRXVOIXGJR-UHFFFAOYSA-N 1 1 351.447 2.272 20 5 FEBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261611837 328805370 /nfs/dbraw/zinc/80/53/70/328805370.db2.gz BZMLRLKRTDKTTL-SFHVURJKSA-N 1 1 367.409 2.351 20 5 FEBDMO Cc1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000264568817 329036471 /nfs/dbraw/zinc/03/64/71/329036471.db2.gz WPHQLRWNOVFPON-KRWDZBQOSA-N 1 1 360.458 2.145 20 5 FEBDMO CC(C)[N@@H+]1CC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264649208 329044422 /nfs/dbraw/zinc/04/44/22/329044422.db2.gz HZHOVQZIQAKURB-JTQLQIEISA-N 1 1 363.386 2.486 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264649208 329044423 /nfs/dbraw/zinc/04/44/23/329044423.db2.gz HZHOVQZIQAKURB-JTQLQIEISA-N 1 1 363.386 2.486 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCN(C)CC1 ZINC000264944253 329077067 /nfs/dbraw/zinc/07/70/67/329077067.db2.gz WPURFSAOFNKQTH-MRXNPFEDSA-N 1 1 374.441 2.343 20 5 FEBDMO COC(=O)[C@@H]1CC12CC[NH+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265012784 329083185 /nfs/dbraw/zinc/08/31/85/329083185.db2.gz FYLVZKQAMVZVSU-DOMZBBRYSA-N 1 1 361.398 2.197 20 5 FEBDMO COc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000265953121 329176147 /nfs/dbraw/zinc/17/61/47/329176147.db2.gz NENTZODIZJNCQV-LBPRGKRZSA-N 1 1 351.403 2.026 20 5 FEBDMO COCCCC[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266417651 329220813 /nfs/dbraw/zinc/22/08/13/329220813.db2.gz ABJKLDPRJWBWOC-SFHVURJKSA-N 1 1 362.430 2.081 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000266437625 329222841 /nfs/dbraw/zinc/22/28/41/329222841.db2.gz FTLUZSJADBNAKB-UHFFFAOYSA-N 1 1 355.354 2.037 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000266741089 329254826 /nfs/dbraw/zinc/25/48/26/329254826.db2.gz QCUBJBKVHMGKPS-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266741089 329254827 /nfs/dbraw/zinc/25/48/27/329254827.db2.gz QCUBJBKVHMGKPS-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(OC)c(OCC)cc1[N+](=O)[O-] ZINC000266913219 329271996 /nfs/dbraw/zinc/27/19/96/329271996.db2.gz MALSCBRPLGBGKV-UHFFFAOYSA-N 1 1 353.419 2.464 20 5 FEBDMO COc1ccc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1O ZINC000266933264 329274188 /nfs/dbraw/zinc/27/41/88/329274188.db2.gz PIAPVTOODXONMZ-OAHLLOKOSA-N 1 1 362.382 2.181 20 5 FEBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000266966365 329277955 /nfs/dbraw/zinc/27/79/55/329277955.db2.gz ZSDLGIMENJKSMX-JSGCOSHPSA-N 1 1 353.423 2.026 20 5 FEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000267465981 329330519 /nfs/dbraw/zinc/33/05/19/329330519.db2.gz LYEJKWYWQVVQPG-LLVKDONJSA-N 1 1 354.204 2.278 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000267498335 329333256 /nfs/dbraw/zinc/33/32/56/329333256.db2.gz RVCJINFFEZLVFY-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000271404035 329691179 /nfs/dbraw/zinc/69/11/79/329691179.db2.gz NCJMSDSQBPUDMR-GFCCVEGCSA-N 1 1 351.794 2.014 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272449827 329782266 /nfs/dbraw/zinc/78/22/66/329782266.db2.gz BYZAUQAXXATORT-SECBINFHSA-N 1 1 360.399 2.171 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000272509069 329786953 /nfs/dbraw/zinc/78/69/53/329786953.db2.gz IOSLXUVCTPGTES-KRWDZBQOSA-N 1 1 357.414 2.020 20 5 FEBDMO CCc1ccc([C@@H](COC)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000273215976 329846088 /nfs/dbraw/zinc/84/60/88/329846088.db2.gz CIAOUECAHLEMNZ-UKRRQHHQSA-N 1 1 364.398 2.467 20 5 FEBDMO CC(C)(C(=O)NCC[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1F ZINC000273819895 329894479 /nfs/dbraw/zinc/89/44/79/329894479.db2.gz CTOMJDMNNKPYSJ-UHFFFAOYSA-N 1 1 355.435 2.177 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000804848855 674303501 /nfs/dbraw/zinc/30/35/01/674303501.db2.gz LAYZQJZYCNZIJJ-AWEZNQCLSA-N 1 1 352.387 2.117 20 5 FEBDMO C[N@@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000155569063 545543855 /nfs/dbraw/zinc/54/38/55/545543855.db2.gz KBZPSWHLFJOCTK-UHFFFAOYSA-N 1 1 367.471 2.375 20 5 FEBDMO C[N@H+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000155569063 545543858 /nfs/dbraw/zinc/54/38/58/545543858.db2.gz KBZPSWHLFJOCTK-UHFFFAOYSA-N 1 1 367.471 2.375 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000158704120 545887164 /nfs/dbraw/zinc/88/71/64/545887164.db2.gz KFXWLDPXWWZASK-AWEZNQCLSA-N 1 1 372.425 2.110 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000160242158 546021846 /nfs/dbraw/zinc/02/18/46/546021846.db2.gz LDXXHOBATSCCNY-LRDDRELGSA-N 1 1 355.398 2.021 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000172100709 546237217 /nfs/dbraw/zinc/23/72/17/546237217.db2.gz NRBRRJRJCJWRGB-HNNXBMFYSA-N 1 1 369.849 2.264 20 5 FEBDMO C[N@@H+](CCNC(=O)CNc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177061896 546535973 /nfs/dbraw/zinc/53/59/73/546535973.db2.gz FBZKSIANKFGUDL-UHFFFAOYSA-N 1 1 360.389 2.394 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[N@H+]1C1CC1 ZINC000177094485 546543862 /nfs/dbraw/zinc/54/38/62/546543862.db2.gz NIALHKMTZBCBHD-OCCSQVGLSA-N 1 1 355.398 2.136 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[N@H+]1C1CC1 ZINC000177142636 546553203 /nfs/dbraw/zinc/55/32/03/546553203.db2.gz KTDXFAVYKSMJFE-CHWSQXEVSA-N 1 1 355.398 2.136 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000481779665 561241924 /nfs/dbraw/zinc/24/19/24/561241924.db2.gz MUNUEIKULFGBSS-UOIKSKOESA-N 1 1 371.441 2.215 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000481775842 561241790 /nfs/dbraw/zinc/24/17/90/561241790.db2.gz FLTOTXCATGBALV-LLVKDONJSA-N 1 1 354.370 2.313 20 5 FEBDMO COCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000179338953 546934327 /nfs/dbraw/zinc/93/43/27/546934327.db2.gz HYTRFVQVAJKOLQ-INIZCTEOSA-N 1 1 351.403 2.051 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000179499560 546965871 /nfs/dbraw/zinc/96/58/71/546965871.db2.gz JMNQUYCAIPZJJK-GFCCVEGCSA-N 1 1 351.794 2.014 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000179762989 547009946 /nfs/dbraw/zinc/00/99/46/547009946.db2.gz HDPIWXNYCBPOHT-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180032085 547041714 /nfs/dbraw/zinc/04/17/14/547041714.db2.gz CBLIWEDRLNMEKY-INIZCTEOSA-N 1 1 369.487 2.273 20 5 FEBDMO C[C@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180447405 547109301 /nfs/dbraw/zinc/10/93/01/547109301.db2.gz QKXRRHTVBFJCCV-LBPRGKRZSA-N 1 1 354.366 2.231 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+](CC2CC2)CC1 ZINC000180793224 547181109 /nfs/dbraw/zinc/18/11/09/547181109.db2.gz QTZFTBGNMPMWAZ-UHFFFAOYSA-N 1 1 355.341 2.364 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000181404546 547308827 /nfs/dbraw/zinc/30/88/27/547308827.db2.gz QPTVGADVVYFRRM-OCCSQVGLSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000181469970 547320151 /nfs/dbraw/zinc/32/01/51/547320151.db2.gz IDGZSEGMPHMARF-ZDUSSCGKSA-N 1 1 358.398 2.500 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCc2ccncc2)c([N+](=O)[O-])c1 ZINC000181469970 547320155 /nfs/dbraw/zinc/32/01/55/547320155.db2.gz IDGZSEGMPHMARF-ZDUSSCGKSA-N 1 1 358.398 2.500 20 5 FEBDMO CN(C(=O)C[N@@H+]1CCCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000183863591 547731566 /nfs/dbraw/zinc/73/15/66/547731566.db2.gz GFDAJMPOUBUHEM-UHFFFAOYSA-N 1 1 369.425 2.165 20 5 FEBDMO CN(C(=O)C[N@H+]1CCCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000183863591 547731568 /nfs/dbraw/zinc/73/15/68/547731568.db2.gz GFDAJMPOUBUHEM-UHFFFAOYSA-N 1 1 369.425 2.165 20 5 FEBDMO CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186302247 548114796 /nfs/dbraw/zinc/11/47/96/548114796.db2.gz BDOXGOMNXJCNOC-QGZVFWFLSA-N 1 1 371.441 2.223 20 5 FEBDMO O=C(CC[N@@H+]1CCO[C@@H](COCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000485907392 561332086 /nfs/dbraw/zinc/33/20/86/561332086.db2.gz MLYGXRIONQTEBJ-QGZVFWFLSA-N 1 1 363.414 2.051 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@@H](COCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000485907392 561332087 /nfs/dbraw/zinc/33/20/87/561332087.db2.gz MLYGXRIONQTEBJ-QGZVFWFLSA-N 1 1 363.414 2.051 20 5 FEBDMO COC(=O)COc1ccc(CNc2[nH]c3ccc(F)cc3[nH+]2)cc1[N+](=O)[O-] ZINC000485954554 561333330 /nfs/dbraw/zinc/33/33/30/561333330.db2.gz UGFGGZYXDQYLRI-UHFFFAOYSA-N 1 1 374.328 2.196 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@@H+]2CCO[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000486008248 561335130 /nfs/dbraw/zinc/33/51/30/561335130.db2.gz PSNSORAUXLOZIY-AWEZNQCLSA-N 1 1 351.403 2.294 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@H+]2CCO[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000486008248 561335131 /nfs/dbraw/zinc/33/51/31/561335131.db2.gz PSNSORAUXLOZIY-AWEZNQCLSA-N 1 1 351.403 2.294 20 5 FEBDMO CC(C)(CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@H+]1CCc2ccccc2C1 ZINC000187023266 548243492 /nfs/dbraw/zinc/24/34/92/548243492.db2.gz DZAYNEPTUBNBMM-UHFFFAOYSA-N 1 1 370.409 2.262 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000194627578 548508240 /nfs/dbraw/zinc/50/82/40/548508240.db2.gz XUELMACGDRIQDI-UHFFFAOYSA-N 1 1 351.359 2.132 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000194627578 548508241 /nfs/dbraw/zinc/50/82/41/548508241.db2.gz XUELMACGDRIQDI-UHFFFAOYSA-N 1 1 351.359 2.132 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2)cc1 ZINC000486975094 561360662 /nfs/dbraw/zinc/36/06/62/561360662.db2.gz XXXCOKALIYBTGR-CQSZACIVSA-N 1 1 373.413 2.193 20 5 FEBDMO C[C@H](O)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000226485239 548748437 /nfs/dbraw/zinc/74/84/37/548748437.db2.gz LFOZKYDUEQWZHS-WMLDXEAASA-N 1 1 352.431 2.350 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000487645078 561373179 /nfs/dbraw/zinc/37/31/79/561373179.db2.gz AWKKRTCWQZHRTB-LBPRGKRZSA-N 1 1 371.384 2.033 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC[C@H]21 ZINC000245808260 548997919 /nfs/dbraw/zinc/99/79/19/548997919.db2.gz QHOLFAHWTXMJHR-GDBMZVCRSA-N 1 1 369.425 2.337 20 5 FEBDMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000245868643 549006332 /nfs/dbraw/zinc/00/63/32/549006332.db2.gz LSWPRIKQNFOSHX-LSDHHAIUSA-N 1 1 361.423 2.022 20 5 FEBDMO O=C1C[C@@H](c2ccccc2)[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000246212708 549079571 /nfs/dbraw/zinc/07/95/71/549079571.db2.gz CORHVHJEAADZCN-ZWKOTPCHSA-N 1 1 355.394 2.191 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000246394830 549123441 /nfs/dbraw/zinc/12/34/41/549123441.db2.gz DWMDVDRXJIJNSH-DZGCQCFKSA-N 1 1 364.446 2.044 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246468221 549139965 /nfs/dbraw/zinc/13/99/65/549139965.db2.gz GPNWVMOLHSESLC-WMLDXEAASA-N 1 1 371.441 2.269 20 5 FEBDMO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488729055 561395694 /nfs/dbraw/zinc/39/56/94/561395694.db2.gz CREUZOGNRHHNGU-WWGRRREGSA-N 1 1 367.471 2.165 20 5 FEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488729055 561395695 /nfs/dbraw/zinc/39/56/95/561395695.db2.gz CREUZOGNRHHNGU-WWGRRREGSA-N 1 1 367.471 2.165 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000246992936 549258826 /nfs/dbraw/zinc/25/88/26/549258826.db2.gz KHYTWMHOSQBGKA-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000247087795 549281683 /nfs/dbraw/zinc/28/16/83/549281683.db2.gz UCIWNATYFYYLMP-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000247087795 549281685 /nfs/dbraw/zinc/28/16/85/549281685.db2.gz UCIWNATYFYYLMP-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000247129112 549289060 /nfs/dbraw/zinc/28/90/60/549289060.db2.gz NLLQNAVSYUPBRH-KSSFIOAISA-N 1 1 369.425 2.337 20 5 FEBDMO CC[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@H+]1C[C@H](C)O ZINC000248564745 549458736 /nfs/dbraw/zinc/45/87/36/549458736.db2.gz IFXKUSFJFXEFID-ZFWWWQNUSA-N 1 1 350.419 2.212 20 5 FEBDMO C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C(N)=O)C1 ZINC000249593941 549608797 /nfs/dbraw/zinc/60/87/97/549608797.db2.gz WFXVUPSCWRVROJ-SWLSCSKDSA-N 1 1 358.398 2.378 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000489802843 561419299 /nfs/dbraw/zinc/41/92/99/561419299.db2.gz SULCTPKTJOKQJZ-ZDUSSCGKSA-N 1 1 361.398 2.127 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C[NH2+]1 ZINC000262126374 549791244 /nfs/dbraw/zinc/79/12/44/549791244.db2.gz CMIYOSJIBQPFGW-CYBMUJFWSA-N 1 1 361.423 2.423 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000263705646 549922800 /nfs/dbraw/zinc/92/28/00/549922800.db2.gz MELGNIXLLNPOMU-UHFFFAOYSA-N 1 1 352.410 2.114 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000263705646 549922803 /nfs/dbraw/zinc/92/28/03/549922803.db2.gz MELGNIXLLNPOMU-UHFFFAOYSA-N 1 1 352.410 2.114 20 5 FEBDMO C[N@H+](Cc1ccccc1)CC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000263876911 549949777 /nfs/dbraw/zinc/94/97/77/549949777.db2.gz LTUPMVBWQZPDTN-UHFFFAOYSA-N 1 1 356.430 2.315 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)CCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000268314526 550048408 /nfs/dbraw/zinc/04/84/08/550048408.db2.gz YRBQGUQAAATOOS-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000268314526 550048410 /nfs/dbraw/zinc/04/84/10/550048410.db2.gz YRBQGUQAAATOOS-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](CO)c1ccccc1 ZINC000269405353 550191873 /nfs/dbraw/zinc/19/18/73/550191873.db2.gz DEAXGQKOSXTYLP-GOSISDBHSA-N 1 1 355.394 2.149 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@H](CO)c1ccccc1 ZINC000269405353 550191874 /nfs/dbraw/zinc/19/18/74/550191874.db2.gz DEAXGQKOSXTYLP-GOSISDBHSA-N 1 1 355.394 2.149 20 5 FEBDMO Cc1c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000269618596 550211473 /nfs/dbraw/zinc/21/14/73/550211473.db2.gz DIBQBTMUXWMQBX-ZDUSSCGKSA-N 1 1 367.413 2.052 20 5 FEBDMO Cc1c(C[N@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000269618596 550211475 /nfs/dbraw/zinc/21/14/75/550211475.db2.gz DIBQBTMUXWMQBX-ZDUSSCGKSA-N 1 1 367.413 2.052 20 5 FEBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](CO)c1ccccc1 ZINC000269634175 550212528 /nfs/dbraw/zinc/21/25/28/550212528.db2.gz WPHSUBNVPWGOPJ-GOSISDBHSA-N 1 1 355.394 2.149 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H](CO)c1ccccc1 ZINC000269634175 550212531 /nfs/dbraw/zinc/21/25/31/550212531.db2.gz WPHSUBNVPWGOPJ-GOSISDBHSA-N 1 1 355.394 2.149 20 5 FEBDMO COc1c(F)cc(S(=O)(=O)N(C)c2cc[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000493909834 561459234 /nfs/dbraw/zinc/45/92/34/561459234.db2.gz XSEHENBJANFASM-UHFFFAOYSA-N 1 1 355.347 2.271 20 5 FEBDMO CC(C)[NH+]1CCN(C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000270914452 550320182 /nfs/dbraw/zinc/32/01/82/550320182.db2.gz OKAVFWHLRNWCGZ-UHFFFAOYSA-N 1 1 374.485 2.154 20 5 FEBDMO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000271435662 550375372 /nfs/dbraw/zinc/37/53/72/550375372.db2.gz SJQSVTGYTGGKOG-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272277409 550433497 /nfs/dbraw/zinc/43/34/97/550433497.db2.gz MFBGVAYIWVMTNN-JTQLQIEISA-N 1 1 374.340 2.242 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272277409 550433499 /nfs/dbraw/zinc/43/34/99/550433499.db2.gz MFBGVAYIWVMTNN-JTQLQIEISA-N 1 1 374.340 2.242 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272337488 550438888 /nfs/dbraw/zinc/43/88/88/550438888.db2.gz XVKJEWCTNRJFAN-BBRMVZONSA-N 1 1 371.441 2.277 20 5 FEBDMO CC[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000494400116 561468839 /nfs/dbraw/zinc/46/88/39/561468839.db2.gz WLOUBQFBFLEXSP-UHFFFAOYSA-N 1 1 369.365 2.147 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000494400116 561468840 /nfs/dbraw/zinc/46/88/40/561468840.db2.gz WLOUBQFBFLEXSP-UHFFFAOYSA-N 1 1 369.365 2.147 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)c1nnc(C)s1 ZINC000273652574 550506950 /nfs/dbraw/zinc/50/69/50/550506950.db2.gz WLUXXIPMAWJMOM-SECBINFHSA-N 1 1 365.415 2.443 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000274463532 550538895 /nfs/dbraw/zinc/53/88/95/550538895.db2.gz KGPRSMSETCZYRT-GFCCVEGCSA-N 1 1 358.398 2.451 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274510357 550541235 /nfs/dbraw/zinc/54/12/35/550541235.db2.gz XJVDWTGKRXUZBY-HNNXBMFYSA-N 1 1 362.474 2.015 20 5 FEBDMO C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468254 550674283 /nfs/dbraw/zinc/67/42/83/550674283.db2.gz PJMXNUHHFOTNPD-LSDHHAIUSA-N 1 1 364.446 2.456 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277480303 550675924 /nfs/dbraw/zinc/67/59/24/550675924.db2.gz KOHZJTLYEPDWFG-OAHLLOKOSA-N 1 1 374.441 2.283 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000278388151 550779979 /nfs/dbraw/zinc/77/99/79/550779979.db2.gz CQXKJOVJPOYZCS-AWEZNQCLSA-N 1 1 374.441 2.236 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000278601961 550803327 /nfs/dbraw/zinc/80/33/27/550803327.db2.gz FRIGIIOAMKTWQE-WBMJQRKESA-N 1 1 374.445 2.343 20 5 FEBDMO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1(CCO)CCOCC1 ZINC000495465303 561488586 /nfs/dbraw/zinc/48/85/86/561488586.db2.gz MAYLJWLCGQVOBV-UHFFFAOYSA-N 1 1 362.386 2.008 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000280342107 550982709 /nfs/dbraw/zinc/98/27/09/550982709.db2.gz WMWSMFNOPSHUID-UHFFFAOYSA-N 1 1 351.794 2.453 20 5 FEBDMO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281419608 551094910 /nfs/dbraw/zinc/09/49/10/551094910.db2.gz OQWKEJYXEGVUCF-QAPCUYQASA-N 1 1 360.414 2.295 20 5 FEBDMO Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281419608 551094913 /nfs/dbraw/zinc/09/49/13/551094913.db2.gz OQWKEJYXEGVUCF-QAPCUYQASA-N 1 1 360.414 2.295 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000497539829 561503483 /nfs/dbraw/zinc/50/34/83/561503483.db2.gz FKXJLKYRZZOJKA-CQSZACIVSA-N 1 1 355.460 2.364 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498224671 561519434 /nfs/dbraw/zinc/51/94/34/561519434.db2.gz AKIYHOQILVEEDQ-QWHCGFSZSA-N 1 1 350.419 2.228 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285910177 551826185 /nfs/dbraw/zinc/82/61/85/551826185.db2.gz YZTFSBXIBMIRRJ-AWEZNQCLSA-N 1 1 373.413 2.150 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286189090 551859080 /nfs/dbraw/zinc/85/90/80/551859080.db2.gz XLCSSOKCFZOZPX-JSGCOSHPSA-N 1 1 353.394 2.038 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286189090 551859081 /nfs/dbraw/zinc/85/90/81/551859081.db2.gz XLCSSOKCFZOZPX-JSGCOSHPSA-N 1 1 353.394 2.038 20 5 FEBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286398713 551883251 /nfs/dbraw/zinc/88/32/51/551883251.db2.gz HGUNLIYIFSLEPQ-WRHMKCCWSA-N 1 1 363.389 2.418 20 5 FEBDMO CCOC(=O)c1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286515584 551895137 /nfs/dbraw/zinc/89/51/37/551895137.db2.gz ZEUWYPDMZHTTKR-ZFWWWQNUSA-N 1 1 363.414 2.071 20 5 FEBDMO CC(C)Oc1ccc([C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000288012882 552074820 /nfs/dbraw/zinc/07/48/20/552074820.db2.gz CAQSPDWFGJTWQI-CQSZACIVSA-N 1 1 361.402 2.138 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500090086 561565682 /nfs/dbraw/zinc/56/56/82/561565682.db2.gz OKBDPWHYTTXAPP-HNNXBMFYSA-N 1 1 374.441 2.258 20 5 FEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000289699906 552363990 /nfs/dbraw/zinc/36/39/90/552363990.db2.gz OGNZFTXQZQZBCK-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000289699906 552363993 /nfs/dbraw/zinc/36/39/93/552363993.db2.gz OGNZFTXQZQZBCK-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000290328634 552461131 /nfs/dbraw/zinc/46/11/31/552461131.db2.gz CJNATZRIRJMOPO-QGZVFWFLSA-N 1 1 363.393 2.300 20 5 FEBDMO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290914110 552560820 /nfs/dbraw/zinc/56/08/20/552560820.db2.gz HHHOZPVECFCWIY-DZGCQCFKSA-N 1 1 369.425 2.411 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2c(F)ccc(C3OCCO3)c2Cl)c1 ZINC000291089535 552585660 /nfs/dbraw/zinc/58/56/60/552585660.db2.gz HRICMTODSLCWBV-UHFFFAOYSA-N 1 1 370.768 2.419 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000291911096 552673953 /nfs/dbraw/zinc/67/39/53/552673953.db2.gz QQMIYHLMSLOEAK-DZGCQCFKSA-N 1 1 357.414 2.030 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292140705 552697866 /nfs/dbraw/zinc/69/78/66/552697866.db2.gz YZPCOIZCCNWKPP-HNNXBMFYSA-N 1 1 373.862 2.273 20 5 FEBDMO CCOC(=O)CCCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293239708 552802551 /nfs/dbraw/zinc/80/25/51/552802551.db2.gz SRDBLOOTNDSQEN-UHFFFAOYSA-N 1 1 363.414 2.086 20 5 FEBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000501618524 561602374 /nfs/dbraw/zinc/60/23/74/561602374.db2.gz JHFCNGRSPZOSOE-KBPBESRZSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000501618524 561602375 /nfs/dbraw/zinc/60/23/75/561602375.db2.gz JHFCNGRSPZOSOE-KBPBESRZSA-N 1 1 357.414 2.063 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000293590596 552838404 /nfs/dbraw/zinc/83/84/04/552838404.db2.gz ZCYNIQBLTDFJLL-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CN(CCCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC[NH+](C)C ZINC000293590596 552838405 /nfs/dbraw/zinc/83/84/05/552838405.db2.gz ZCYNIQBLTDFJLL-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1SC ZINC000293894933 552865765 /nfs/dbraw/zinc/86/57/65/552865765.db2.gz DUEMLXBZDUMCHO-PHIMTYICSA-N 1 1 353.444 2.490 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1SC ZINC000293894933 552865766 /nfs/dbraw/zinc/86/57/66/552865766.db2.gz DUEMLXBZDUMCHO-PHIMTYICSA-N 1 1 353.444 2.490 20 5 FEBDMO CCc1nc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc(C)[nH+]1 ZINC000294156111 552886355 /nfs/dbraw/zinc/88/63/55/552886355.db2.gz RGERAGPNZWRIRI-UHFFFAOYSA-N 1 1 355.398 2.218 20 5 FEBDMO COc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000294419449 552904742 /nfs/dbraw/zinc/90/47/42/552904742.db2.gz KIZDNVJEQYOYIP-SNVBAGLBSA-N 1 1 350.350 2.314 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])cc1F ZINC000295543576 553023617 /nfs/dbraw/zinc/02/36/17/553023617.db2.gz IHNMMHGGQVKRIQ-KRWDZBQOSA-N 1 1 351.378 2.300 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)C2)C1 ZINC000295635532 553036879 /nfs/dbraw/zinc/03/68/79/553036879.db2.gz ZQVXBJHKMQQSNT-GOSISDBHSA-N 1 1 355.398 2.153 20 5 FEBDMO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C2)C1 ZINC000295635532 553036883 /nfs/dbraw/zinc/03/68/83/553036883.db2.gz ZQVXBJHKMQQSNT-GOSISDBHSA-N 1 1 355.398 2.153 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)C2)C1 ZINC000295635532 553036886 /nfs/dbraw/zinc/03/68/86/553036886.db2.gz ZQVXBJHKMQQSNT-GOSISDBHSA-N 1 1 355.398 2.153 20 5 FEBDMO NC(=O)c1cccc(C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000296582993 553183078 /nfs/dbraw/zinc/18/30/78/553183078.db2.gz DYUVCVIYBHYJGG-GOSISDBHSA-N 1 1 355.394 2.392 20 5 FEBDMO Cc1cc(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000502815650 561626295 /nfs/dbraw/zinc/62/62/95/561626295.db2.gz PLFBUFNSNWIQIG-UHFFFAOYSA-N 1 1 363.337 2.384 20 5 FEBDMO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@H+](C2CC2)C1 ZINC000296866359 553222312 /nfs/dbraw/zinc/22/23/12/553222312.db2.gz ZHFKLSGBPSRGAP-CYBMUJFWSA-N 1 1 364.421 2.479 20 5 FEBDMO C[C@H]1CN(C2CC2)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000296866359 553222313 /nfs/dbraw/zinc/22/23/13/553222313.db2.gz ZHFKLSGBPSRGAP-CYBMUJFWSA-N 1 1 364.421 2.479 20 5 FEBDMO C[C@H]1CN(C2CC2)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000296866359 553222314 /nfs/dbraw/zinc/22/23/14/553222314.db2.gz ZHFKLSGBPSRGAP-CYBMUJFWSA-N 1 1 364.421 2.479 20 5 FEBDMO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000503424075 561641070 /nfs/dbraw/zinc/64/10/70/561641070.db2.gz FJIBUMIEGSSMCU-LSDHHAIUSA-N 1 1 369.487 2.320 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000298500753 553432798 /nfs/dbraw/zinc/43/27/98/553432798.db2.gz NSDWNZOHWQGDKJ-KGLIPLIRSA-N 1 1 363.414 2.359 20 5 FEBDMO CC[C@@]1(CO)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298507014 553433880 /nfs/dbraw/zinc/43/38/80/553433880.db2.gz KLQARWFTZHPCJB-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000299195579 553528833 /nfs/dbraw/zinc/52/88/33/553528833.db2.gz DPHPTJYMBDUYBP-GFCCVEGCSA-N 1 1 374.441 2.093 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000299234316 553534442 /nfs/dbraw/zinc/53/44/42/553534442.db2.gz JPHYNYDOIZRTIN-DOMZBBRYSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000299268297 553539738 /nfs/dbraw/zinc/53/97/38/553539738.db2.gz ZWXSMYMDACXTMY-INIZCTEOSA-N 1 1 357.414 2.005 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000299268297 553539739 /nfs/dbraw/zinc/53/97/39/553539739.db2.gz ZWXSMYMDACXTMY-INIZCTEOSA-N 1 1 357.414 2.005 20 5 FEBDMO C[N@@H+](Cc1ccccc1)C1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000504674025 561661025 /nfs/dbraw/zinc/66/10/25/561661025.db2.gz UHRKMKDWGMJQPF-SFHVURJKSA-N 1 1 371.437 2.151 20 5 FEBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000301327232 553642514 /nfs/dbraw/zinc/64/25/14/553642514.db2.gz BPNANIQVTXHORS-QGZVFWFLSA-N 1 1 367.471 2.361 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302009816 553697986 /nfs/dbraw/zinc/69/79/86/553697986.db2.gz VVGPJABDWCNNHL-DZGCQCFKSA-N 1 1 367.413 2.355 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCN(c3cc(C)cc[nH+]3)CC2)c1 ZINC000302161996 553707780 /nfs/dbraw/zinc/70/77/80/553707780.db2.gz KAHIFRCVTWGFTA-UHFFFAOYSA-N 1 1 356.382 2.411 20 5 FEBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC[N@H+]1CC(C)(C)O ZINC000302504855 553719246 /nfs/dbraw/zinc/71/92/46/553719246.db2.gz QCLQWSMVEAZZBB-NSHDSACASA-N 1 1 359.373 2.478 20 5 FEBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)c1ccccc1 ZINC000505485833 561671873 /nfs/dbraw/zinc/67/18/73/561671873.db2.gz FTJITOAKVZXSBG-OAHLLOKOSA-N 1 1 360.414 2.362 20 5 FEBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976188 553763218 /nfs/dbraw/zinc/76/32/18/553763218.db2.gz FLYZUXAHQTVOSJ-NXEZZACHSA-N 1 1 369.219 2.061 20 5 FEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000507594339 561734702 /nfs/dbraw/zinc/73/47/02/561734702.db2.gz ABRPZGYPHLPKAD-JSGCOSHPSA-N 1 1 356.382 2.261 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330492928 554129093 /nfs/dbraw/zinc/12/90/93/554129093.db2.gz RTVNIKKSORNHTF-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000330620028 554146493 /nfs/dbraw/zinc/14/64/93/554146493.db2.gz ZWRILXQPXCONSK-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000330620028 554146495 /nfs/dbraw/zinc/14/64/95/554146495.db2.gz ZWRILXQPXCONSK-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331388430 554256060 /nfs/dbraw/zinc/25/60/60/554256060.db2.gz PIKCPEHIJSMCNR-CABCVRRESA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331388430 554256061 /nfs/dbraw/zinc/25/60/61/554256061.db2.gz PIKCPEHIJSMCNR-CABCVRRESA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520021 554279091 /nfs/dbraw/zinc/27/90/91/554279091.db2.gz NUYCXRTVLFRSQM-TVQRCGJNSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520021 554279092 /nfs/dbraw/zinc/27/90/92/554279092.db2.gz NUYCXRTVLFRSQM-TVQRCGJNSA-N 1 1 359.835 2.009 20 5 FEBDMO Cc1noc(C)c1C[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000509056807 561783144 /nfs/dbraw/zinc/78/31/44/561783144.db2.gz YVLWPXWVYYVJBP-UHFFFAOYSA-N 1 1 368.397 2.465 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028473 554366106 /nfs/dbraw/zinc/36/61/06/554366106.db2.gz JGJVTEGGZKFQJL-ZBFHGGJFSA-N 1 1 360.458 2.289 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000332199058 554399389 /nfs/dbraw/zinc/39/93/89/554399389.db2.gz FDAHSHPAFTWBRN-GFCCVEGCSA-N 1 1 363.414 2.198 20 5 FEBDMO COc1ccc(NC(=O)CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000332472573 554452471 /nfs/dbraw/zinc/45/24/71/554452471.db2.gz KLDDFOQOLJVKQF-ZIAGYGMSSA-N 1 1 362.430 2.101 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000510979323 561852951 /nfs/dbraw/zinc/85/29/51/561852951.db2.gz CDXOZKFXVILGEH-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n1)OC2 ZINC000350342983 554781108 /nfs/dbraw/zinc/78/11/08/554781108.db2.gz UTBXFMXOQBBTNG-GUYCJALGSA-N 1 1 374.353 2.299 20 5 FEBDMO Cc1ccccc1C[N@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000361178742 554908366 /nfs/dbraw/zinc/90/83/66/554908366.db2.gz GDULDYCOMLBFON-UHFFFAOYSA-N 1 1 370.453 2.273 20 5 FEBDMO O=C([C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000362853154 554993404 /nfs/dbraw/zinc/99/34/04/554993404.db2.gz UBYVAHVOHCSTQF-HZPDHXFCSA-N 1 1 358.442 2.118 20 5 FEBDMO C[NH+](C)[C@@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000363256905 555065225 /nfs/dbraw/zinc/06/52/25/555065225.db2.gz QHHGKIASOKOKFD-IBGZPJMESA-N 1 1 355.394 2.451 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@H]3C2)cc1[N+](=O)[O-] ZINC000363259321 555066156 /nfs/dbraw/zinc/06/61/56/555066156.db2.gz NBLBYRMDASOODF-CWRNSKLLSA-N 1 1 365.455 2.008 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000363512460 555124705 /nfs/dbraw/zinc/12/47/05/555124705.db2.gz WSMZNAVEIPNAMQ-UHFFFAOYSA-N 1 1 363.462 2.464 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000363781771 555185176 /nfs/dbraw/zinc/18/51/76/555185176.db2.gz SPGULRQGSYSQIM-SJLPKXTDSA-N 1 1 357.410 2.294 20 5 FEBDMO C[NH+](C)[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000364189931 555266229 /nfs/dbraw/zinc/26/62/29/555266229.db2.gz JUCGQPUYYRTPPY-IBGZPJMESA-N 1 1 355.394 2.451 20 5 FEBDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364324429 555291722 /nfs/dbraw/zinc/29/17/22/555291722.db2.gz NFUXIFCRJNDKOP-CQSZACIVSA-N 1 1 360.418 2.365 20 5 FEBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451233 555316607 /nfs/dbraw/zinc/31/66/07/555316607.db2.gz XMDLDGNAIYCKNU-IEBWSBKVSA-N 1 1 353.378 2.224 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000364855651 555416212 /nfs/dbraw/zinc/41/62/12/555416212.db2.gz IRHDFHRHWILMGQ-HNNXBMFYSA-N 1 1 364.450 2.012 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000365048963 555472894 /nfs/dbraw/zinc/47/28/94/555472894.db2.gz XGAFCKYUPNHYSV-CVEARBPZSA-N 1 1 350.415 2.083 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000365048967 555473213 /nfs/dbraw/zinc/47/32/13/555473213.db2.gz XGAFCKYUPNHYSV-HZPDHXFCSA-N 1 1 350.415 2.083 20 5 FEBDMO COc1cc(C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cc([N+](=O)[O-])c1C ZINC000365087372 555482072 /nfs/dbraw/zinc/48/20/72/555482072.db2.gz XOWJUYYYMQYYKY-AWEZNQCLSA-N 1 1 365.455 2.175 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@]2(CO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000365149887 555496045 /nfs/dbraw/zinc/49/60/45/555496045.db2.gz HWIQPWLFGVHOEU-FQEVSTJZSA-N 1 1 369.421 2.263 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513678737 561946628 /nfs/dbraw/zinc/94/66/28/561946628.db2.gz RPHXZTLOATWTNR-XWIAVFTESA-N 1 1 355.442 2.490 20 5 FEBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000366450250 555847732 /nfs/dbraw/zinc/84/77/32/555847732.db2.gz WZBTXNZUGVRGNC-AWEZNQCLSA-N 1 1 356.444 2.263 20 5 FEBDMO CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000366450250 555847734 /nfs/dbraw/zinc/84/77/34/555847734.db2.gz WZBTXNZUGVRGNC-AWEZNQCLSA-N 1 1 356.444 2.263 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000366635533 555895760 /nfs/dbraw/zinc/89/57/60/555895760.db2.gz KHRLWUKQHCTCIT-UHFFFAOYSA-N 1 1 358.398 2.299 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000366635533 555895762 /nfs/dbraw/zinc/89/57/62/555895762.db2.gz KHRLWUKQHCTCIT-UHFFFAOYSA-N 1 1 358.398 2.299 20 5 FEBDMO C[C@@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000366672665 555905324 /nfs/dbraw/zinc/90/53/24/555905324.db2.gz FBZQYCJSTZUNIV-CYBMUJFWSA-N 1 1 367.421 2.143 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000368664934 556379511 /nfs/dbraw/zinc/37/95/11/556379511.db2.gz ZKXVPXUQLQVDLE-DOPJRALCSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000368664934 556379514 /nfs/dbraw/zinc/37/95/14/556379514.db2.gz ZKXVPXUQLQVDLE-DOPJRALCSA-N 1 1 374.441 2.397 20 5 FEBDMO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019546 556477741 /nfs/dbraw/zinc/47/77/41/556477741.db2.gz QHLSCBSGLNKPFX-ZBFHGGJFSA-N 1 1 357.414 2.133 20 5 FEBDMO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019546 556477743 /nfs/dbraw/zinc/47/77/43/556477743.db2.gz QHLSCBSGLNKPFX-ZBFHGGJFSA-N 1 1 357.414 2.133 20 5 FEBDMO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019543 556478048 /nfs/dbraw/zinc/47/80/48/556478048.db2.gz QHLSCBSGLNKPFX-GDBMZVCRSA-N 1 1 357.414 2.133 20 5 FEBDMO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019543 556478045 /nfs/dbraw/zinc/47/80/45/556478045.db2.gz QHLSCBSGLNKPFX-GDBMZVCRSA-N 1 1 357.414 2.133 20 5 FEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369062212 556493550 /nfs/dbraw/zinc/49/35/50/556493550.db2.gz GYVQRELVAVXKNE-UHFFFAOYSA-N 1 1 360.458 2.113 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000369378005 556585083 /nfs/dbraw/zinc/58/50/83/556585083.db2.gz DIRFPYUOQIKNMW-MRXNPFEDSA-N 1 1 372.429 2.378 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000369669214 556664255 /nfs/dbraw/zinc/66/42/55/556664255.db2.gz YATMPIHWUYFLOA-UHFFFAOYSA-N 1 1 355.822 2.433 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000370001311 556754606 /nfs/dbraw/zinc/75/46/06/556754606.db2.gz WGWKVVLHLPFCIF-KGLIPLIRSA-N 1 1 365.434 2.265 20 5 FEBDMO NC(=O)C1([NH+]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)CCCC1 ZINC000370233691 556818165 /nfs/dbraw/zinc/81/81/65/556818165.db2.gz RLNLFZMOPGLTHO-UHFFFAOYSA-N 1 1 369.425 2.063 20 5 FEBDMO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NCc1c[nH+]c2n1CCCC2 ZINC000370279297 556828213 /nfs/dbraw/zinc/82/82/13/556828213.db2.gz OVFLLJZJRMDMND-UHFFFAOYSA-N 1 1 353.382 2.468 20 5 FEBDMO O=C(CC[N@H+]1CCCC[C@H]1C(=O)N1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000370310109 556836318 /nfs/dbraw/zinc/83/63/18/556836318.db2.gz XREGGUUPOWYMOY-KRWDZBQOSA-N 1 1 374.441 2.400 20 5 FEBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc3nsnc3c([N+](=O)[O-])c1)CC2 ZINC000370366864 556851599 /nfs/dbraw/zinc/85/15/99/556851599.db2.gz MPPQAKPXWCXCHI-UHFFFAOYSA-N 1 1 361.427 2.300 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c([N+](=O)[O-])cc1F ZINC000370409706 556864644 /nfs/dbraw/zinc/86/46/44/556864644.db2.gz IDYUQWSVZVYILD-QGZVFWFLSA-N 1 1 351.378 2.187 20 5 FEBDMO O=C1[C@@H]([N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C1CCOCC1 ZINC000370497636 556890713 /nfs/dbraw/zinc/89/07/13/556890713.db2.gz CLOQTAYVZUDYQF-SFHVURJKSA-N 1 1 359.426 2.339 20 5 FEBDMO O=C1[C@@H]([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C1CCOCC1 ZINC000370497636 556890716 /nfs/dbraw/zinc/89/07/16/556890716.db2.gz CLOQTAYVZUDYQF-SFHVURJKSA-N 1 1 359.426 2.339 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689122 556940684 /nfs/dbraw/zinc/94/06/84/556940684.db2.gz KBGVKHFOBRDKAV-MSOLQXFVSA-N 1 1 374.441 2.132 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370750363 556957219 /nfs/dbraw/zinc/95/72/19/556957219.db2.gz PXYGWCOJCYNOIX-XJKSGUPXSA-N 1 1 373.413 2.112 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370840495 556986837 /nfs/dbraw/zinc/98/68/37/556986837.db2.gz VXYUXIHZPJDJOK-KRWDZBQOSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370840495 556986841 /nfs/dbraw/zinc/98/68/41/556986841.db2.gz VXYUXIHZPJDJOK-KRWDZBQOSA-N 1 1 360.458 2.144 20 5 FEBDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000516998278 562070191 /nfs/dbraw/zinc/07/01/91/562070191.db2.gz SEQUFFHCVZBLCZ-KGLIPLIRSA-N 1 1 363.414 2.376 20 5 FEBDMO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000370915700 557013944 /nfs/dbraw/zinc/01/39/44/557013944.db2.gz DCFXDMZCGSLTNN-KDOFPFPSSA-N 1 1 371.441 2.450 20 5 FEBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336587 557152073 /nfs/dbraw/zinc/15/20/73/557152073.db2.gz RVHVUXYQHNIRAE-RDJZCZTQSA-N 1 1 360.414 2.295 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000517454882 562090642 /nfs/dbraw/zinc/09/06/42/562090642.db2.gz IYYIDZBCNZHOKH-HNNXBMFYSA-N 1 1 360.458 2.269 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000371531157 557211929 /nfs/dbraw/zinc/21/19/29/557211929.db2.gz UVCXNBAAIBCHBZ-ROUUACIJSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000371531157 557211934 /nfs/dbraw/zinc/21/19/34/557211934.db2.gz UVCXNBAAIBCHBZ-ROUUACIJSA-N 1 1 363.458 2.285 20 5 FEBDMO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328931 557440997 /nfs/dbraw/zinc/44/09/97/557440997.db2.gz DJVXFYLMTQFEPT-GJZGRUSLSA-N 1 1 351.451 2.321 20 5 FEBDMO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328931 557440998 /nfs/dbraw/zinc/44/09/98/557440998.db2.gz DJVXFYLMTQFEPT-GJZGRUSLSA-N 1 1 351.451 2.321 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000372925986 557589633 /nfs/dbraw/zinc/58/96/33/557589633.db2.gz CMRPXGYYGDHIFQ-HKCMKHECSA-N 1 1 355.797 2.253 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000373289329 557666035 /nfs/dbraw/zinc/66/60/35/557666035.db2.gz QDXGEVMMCODEON-ABAIWWIYSA-N 1 1 361.427 2.288 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000373439603 557694079 /nfs/dbraw/zinc/69/40/79/557694079.db2.gz AQBWRLGQTNXXFS-IYBDPMFKSA-N 1 1 352.394 2.194 20 5 FEBDMO CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000520365612 562154461 /nfs/dbraw/zinc/15/44/61/562154461.db2.gz VOQAXTZIKXKXGA-INIZCTEOSA-N 1 1 369.425 2.304 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373809617 557764245 /nfs/dbraw/zinc/76/42/45/557764245.db2.gz JVCKAHRIFDJRGP-KDOFPFPSSA-N 1 1 363.414 2.193 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000373933682 557790169 /nfs/dbraw/zinc/79/01/69/557790169.db2.gz NFDXSMHTPWSFHT-YJBOKZPZSA-N 1 1 373.457 2.053 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000374363746 557872433 /nfs/dbraw/zinc/87/24/33/557872433.db2.gz DBBHANMRLMJXKM-VIFPVBQESA-N 1 1 352.192 2.480 20 5 FEBDMO Cc1c(C[N@@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000374384603 557875915 /nfs/dbraw/zinc/87/59/15/557875915.db2.gz BXGVBZFMEUTETP-SFHVURJKSA-N 1 1 361.442 2.410 20 5 FEBDMO Cc1c(C[N@H+]2CCC[C@H]2C(=O)NCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000374384603 557875916 /nfs/dbraw/zinc/87/59/16/557875916.db2.gz BXGVBZFMEUTETP-SFHVURJKSA-N 1 1 361.442 2.410 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000374717363 557920657 /nfs/dbraw/zinc/92/06/57/557920657.db2.gz MOBGDQZJPCKXPL-RHSMWYFYSA-N 1 1 352.398 2.288 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374871256 557944227 /nfs/dbraw/zinc/94/42/27/557944227.db2.gz CPUKKCLBBMETKG-RDTXWAMCSA-N 1 1 360.458 2.378 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000374871256 557944229 /nfs/dbraw/zinc/94/42/29/557944229.db2.gz CPUKKCLBBMETKG-RDTXWAMCSA-N 1 1 360.458 2.378 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375106229 557978800 /nfs/dbraw/zinc/97/88/00/557978800.db2.gz QUDBRYYXEZCEHY-UHFFFAOYSA-N 1 1 368.390 2.054 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375284462 558004358 /nfs/dbraw/zinc/00/43/58/558004358.db2.gz PGLFDNBHXYWSRB-ACJLOTCBSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375284462 558004359 /nfs/dbraw/zinc/00/43/59/558004359.db2.gz PGLFDNBHXYWSRB-ACJLOTCBSA-N 1 1 363.414 2.433 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000521363388 562174935 /nfs/dbraw/zinc/17/49/35/562174935.db2.gz LTLYTOLWRPSLPH-CYBMUJFWSA-N 1 1 363.414 2.311 20 5 FEBDMO Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375393639 558019955 /nfs/dbraw/zinc/01/99/55/558019955.db2.gz RGYISRAMHFPSEP-SJLPKXTDSA-N 1 1 374.441 2.485 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375443936 558028483 /nfs/dbraw/zinc/02/84/83/558028483.db2.gz HRCLSZCLPASDCO-KBPBESRZSA-N 1 1 374.397 2.084 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000375555391 558047767 /nfs/dbraw/zinc/04/77/67/558047767.db2.gz XXCTXYPIIGAGIY-UHFFFAOYSA-N 1 1 359.342 2.274 20 5 FEBDMO O=C(c1cc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556451 558048111 /nfs/dbraw/zinc/04/81/11/558048111.db2.gz GWTHREZWGCYTHZ-JKSUJKDBSA-N 1 1 374.441 2.106 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000376111132 558128176 /nfs/dbraw/zinc/12/81/76/558128176.db2.gz IGHYSMKTATZHTJ-RKNYENMMSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000376111132 558128177 /nfs/dbraw/zinc/12/81/77/558128177.db2.gz IGHYSMKTATZHTJ-RKNYENMMSA-N 1 1 353.444 2.075 20 5 FEBDMO COC(=O)c1cc(C)nc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000376216343 558142862 /nfs/dbraw/zinc/14/28/62/558142862.db2.gz ACMPCYRGAFRMCZ-NWANDNLSSA-N 1 1 360.414 2.005 20 5 FEBDMO CC(C)C[N@H+]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000376495957 558181017 /nfs/dbraw/zinc/18/10/17/558181017.db2.gz SRGJWOXRIFIRII-UHFFFAOYSA-N 1 1 374.445 2.344 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000377214303 558290536 /nfs/dbraw/zinc/29/05/36/558290536.db2.gz LRNXYYUJRAHDNI-UHFFFAOYSA-N 1 1 361.398 2.107 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cc(F)ccc1-n1cc[nH+]c1C ZINC000377651934 558387318 /nfs/dbraw/zinc/38/73/18/558387318.db2.gz URGQSROETZZKGQ-UHFFFAOYSA-N 1 1 358.333 2.372 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1F ZINC000378309125 558526424 /nfs/dbraw/zinc/52/64/24/558526424.db2.gz DHGOAYAMTSVEAG-SECBINFHSA-N 1 1 358.333 2.442 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000408059538 558641837 /nfs/dbraw/zinc/64/18/37/558641837.db2.gz QKJXXEQCYMNTKH-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411132427 558842676 /nfs/dbraw/zinc/84/26/76/558842676.db2.gz JYXAQRUYBPOTKD-ZIAGYGMSSA-N 1 1 362.430 2.221 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000411267450 558864434 /nfs/dbraw/zinc/86/44/34/558864434.db2.gz DFQRCKSRKJEZAW-OAHLLOKOSA-N 1 1 374.441 2.032 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279093 558867190 /nfs/dbraw/zinc/86/71/90/558867190.db2.gz PFLVKCZAYSOJFJ-OCCSQVGLSA-N 1 1 361.320 2.311 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411929985 558990059 /nfs/dbraw/zinc/99/00/59/558990059.db2.gz YKZAEGZXWSSFSW-JZXOWHBKSA-N 1 1 358.394 2.142 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411929984 558990190 /nfs/dbraw/zinc/99/01/90/558990190.db2.gz YKZAEGZXWSSFSW-JFIYKMOQSA-N 1 1 358.394 2.142 20 5 FEBDMO O=C(C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000411960451 558995619 /nfs/dbraw/zinc/99/56/19/558995619.db2.gz YUNNWKAKLQTJJX-MJGOQNOKSA-N 1 1 367.405 2.292 20 5 FEBDMO O=C(C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000411960451 558995620 /nfs/dbraw/zinc/99/56/20/558995620.db2.gz YUNNWKAKLQTJJX-MJGOQNOKSA-N 1 1 367.405 2.292 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412063087 559008840 /nfs/dbraw/zinc/00/88/40/559008840.db2.gz BAFITDVWJBNKRK-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412063087 559008842 /nfs/dbraw/zinc/00/88/42/559008842.db2.gz BAFITDVWJBNKRK-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1F ZINC000412188774 559019018 /nfs/dbraw/zinc/01/90/18/559019018.db2.gz CAMDFCMARCMNJS-GXTWGEPZSA-N 1 1 365.405 2.228 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412709037 559051937 /nfs/dbraw/zinc/05/19/37/559051937.db2.gz LEAQBEQRRMMJNF-CQSZACIVSA-N 1 1 369.425 2.378 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000412709037 559051938 /nfs/dbraw/zinc/05/19/38/559051938.db2.gz LEAQBEQRRMMJNF-CQSZACIVSA-N 1 1 369.425 2.378 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1F ZINC000413709432 559126197 /nfs/dbraw/zinc/12/61/97/559126197.db2.gz GAAYMZNRZIGBCI-LBPRGKRZSA-N 1 1 353.394 2.274 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000414468596 559166534 /nfs/dbraw/zinc/16/65/34/559166534.db2.gz KOQPFFAWPCHMGV-LBPRGKRZSA-N 1 1 366.443 2.331 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000414475825 559167513 /nfs/dbraw/zinc/16/75/13/559167513.db2.gz YOIAITFZUMLZFX-LBPRGKRZSA-N 1 1 366.443 2.277 20 5 FEBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414564158 559171897 /nfs/dbraw/zinc/17/18/97/559171897.db2.gz XHVHEBNDGLNIHA-YVEFUNNKSA-N 1 1 362.382 2.039 20 5 FEBDMO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1 ZINC000414622285 559175991 /nfs/dbraw/zinc/17/59/91/559175991.db2.gz SKCBGCRNYBWGAV-JTQLQIEISA-N 1 1 354.388 2.094 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2nc(CNCCCN3CC[NH2+]CC3)cs2)c1 ZINC000414785254 559187294 /nfs/dbraw/zinc/18/72/94/559187294.db2.gz UTCXBVVOLZHHBO-UHFFFAOYSA-N 1 1 361.471 2.103 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416467701 559315293 /nfs/dbraw/zinc/31/52/93/559315293.db2.gz CQCPVGZDRHONJZ-OAHLLOKOSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416467701 559315294 /nfs/dbraw/zinc/31/52/94/559315294.db2.gz CQCPVGZDRHONJZ-OAHLLOKOSA-N 1 1 355.460 2.172 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419338387 559438133 /nfs/dbraw/zinc/43/81/33/559438133.db2.gz ZGADHTVWLWGWHH-GJZGRUSLSA-N 1 1 351.447 2.269 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[NH2+]Cc3ccccc32)cc1 ZINC000420416592 559486647 /nfs/dbraw/zinc/48/66/47/559486647.db2.gz JPTGZCRXJGDMLT-UHFFFAOYSA-N 1 1 361.423 2.077 20 5 FEBDMO C[C@H]1CN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000420651343 559495511 /nfs/dbraw/zinc/49/55/11/559495511.db2.gz JVDSKCUNJFKJRU-AWEZNQCLSA-N 1 1 354.410 2.404 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421011797 559519362 /nfs/dbraw/zinc/51/93/62/559519362.db2.gz HMKJGZIIIRTVTD-ZIAGYGMSSA-N 1 1 365.430 2.415 20 5 FEBDMO C[C@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438121 559702236 /nfs/dbraw/zinc/70/22/36/559702236.db2.gz AAYCICMAHQSIDM-ZWNOBZJWSA-N 1 1 359.220 2.329 20 5 FEBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438121 559702237 /nfs/dbraw/zinc/70/22/37/559702237.db2.gz AAYCICMAHQSIDM-ZWNOBZJWSA-N 1 1 359.220 2.329 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425548548 559709207 /nfs/dbraw/zinc/70/92/07/559709207.db2.gz NBAPICSUOKJQKO-PWSUYJOCSA-N 1 1 355.358 2.313 20 5 FEBDMO COCC1(C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000425940637 559725610 /nfs/dbraw/zinc/72/56/10/559725610.db2.gz XJJROPUOXQPKIC-QGZVFWFLSA-N 1 1 374.441 2.451 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428555759 559778165 /nfs/dbraw/zinc/77/81/65/559778165.db2.gz ZKGNKKPBRNAHBF-INIZCTEOSA-N 1 1 370.409 2.212 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000428555760 559778276 /nfs/dbraw/zinc/77/82/76/559778276.db2.gz ZKGNKKPBRNAHBF-MRXNPFEDSA-N 1 1 370.409 2.212 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000428862251 559785184 /nfs/dbraw/zinc/78/51/84/559785184.db2.gz TUVNGAQYNPMYBD-FZKQIMNGSA-N 1 1 370.409 2.089 20 5 FEBDMO C[N@@H+](C[C@H](O)Cc1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433039699 559870370 /nfs/dbraw/zinc/87/03/70/559870370.db2.gz NFLKCWMRPJEYBV-RTBURBONSA-N 1 1 369.421 2.236 20 5 FEBDMO CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122371 559872410 /nfs/dbraw/zinc/87/24/10/559872410.db2.gz VPNHRPYMYGTYCU-RDTXWAMCSA-N 1 1 374.485 2.494 20 5 FEBDMO C[C@@H]1CN(CC[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000434695413 559906099 /nfs/dbraw/zinc/90/60/99/559906099.db2.gz PRGUHMGWAXNQKA-IYBDPMFKSA-N 1 1 351.447 2.405 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000438945292 559985937 /nfs/dbraw/zinc/98/59/37/559985937.db2.gz GEOMTFODBSJLHX-OAHLLOKOSA-N 1 1 355.460 2.384 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000440076840 560004427 /nfs/dbraw/zinc/00/44/27/560004427.db2.gz JEWPKWUPDOUEJZ-OCCSQVGLSA-N 1 1 355.460 2.302 20 5 FEBDMO CCOc1ccccc1C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000441354291 560029526 /nfs/dbraw/zinc/02/95/26/560029526.db2.gz MTUDCWOONDFEAU-INIZCTEOSA-N 1 1 373.457 2.396 20 5 FEBDMO CCOc1ccccc1C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000441354291 560029527 /nfs/dbraw/zinc/02/95/27/560029527.db2.gz MTUDCWOONDFEAU-INIZCTEOSA-N 1 1 373.457 2.396 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000443765909 560092095 /nfs/dbraw/zinc/09/20/95/560092095.db2.gz TZYLUFWWPMNYPF-HIFRSBDPSA-N 1 1 355.460 2.229 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444620997 560116916 /nfs/dbraw/zinc/11/69/16/560116916.db2.gz ARGRVOLBHRUCEC-MRXNPFEDSA-N 1 1 372.473 2.073 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000446901094 560153359 /nfs/dbraw/zinc/15/33/59/560153359.db2.gz ACIICBGICIAUDF-BZBRXENKSA-N 1 1 356.426 2.440 20 5 FEBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000447078668 560156255 /nfs/dbraw/zinc/15/62/55/560156255.db2.gz UYIBHQIRYAZMST-KRRMLOMWSA-N 1 1 364.442 2.344 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000448036157 560176361 /nfs/dbraw/zinc/17/63/61/560176361.db2.gz WBIVUBYQAYWDTM-MRXNPFEDSA-N 1 1 363.462 2.426 20 5 FEBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450096236 560250636 /nfs/dbraw/zinc/25/06/36/560250636.db2.gz GOCDAFRVMGKSFQ-UKRRQHHQSA-N 1 1 357.414 2.239 20 5 FEBDMO Cc1[nH+]c(N2CCOCC2)ccc1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450398344 560261130 /nfs/dbraw/zinc/26/11/30/560261130.db2.gz XUOUHYCALZZAAU-UHFFFAOYSA-N 1 1 354.370 2.177 20 5 FEBDMO CCOC(=O)c1cc(NC[C@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450602020 560267669 /nfs/dbraw/zinc/26/76/69/560267669.db2.gz ZLZYLNRAHXWFCT-CQSZACIVSA-N 1 1 351.403 2.030 20 5 FEBDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451142689 560289491 /nfs/dbraw/zinc/28/94/91/560289491.db2.gz GMYBTTQMZZLXLE-NOHGZBONSA-N 1 1 350.341 2.204 20 5 FEBDMO CO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451845653 560332083 /nfs/dbraw/zinc/33/20/83/560332083.db2.gz ITQOLMIEAJCNRA-KBRIMQKVSA-N 1 1 350.415 2.224 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882287 560334314 /nfs/dbraw/zinc/33/43/14/560334314.db2.gz CMUPSPDAHFIIGL-YGRLFVJLSA-N 1 1 361.320 2.169 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890515 560334934 /nfs/dbraw/zinc/33/49/34/560334934.db2.gz NIYZVFBKHMZVGZ-IINYFYTJSA-N 1 1 361.320 2.169 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000452103591 560351426 /nfs/dbraw/zinc/35/14/26/560351426.db2.gz KXDJIXUYNAQMDX-LBPRGKRZSA-N 1 1 361.851 2.351 20 5 FEBDMO CNc1nc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915705 560500037 /nfs/dbraw/zinc/50/00/37/560500037.db2.gz NLOGKJOBNBOGTB-HIFRSBDPSA-N 1 1 369.425 2.424 20 5 FEBDMO COc1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc([N+](=O)[O-])c1OC ZINC000456980669 560542063 /nfs/dbraw/zinc/54/20/63/560542063.db2.gz DOGATACNKIPCQG-HNNXBMFYSA-N 1 1 371.393 2.399 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000457082887 560547494 /nfs/dbraw/zinc/54/74/94/560547494.db2.gz FNWFBZJXMFVXPL-HNNXBMFYSA-N 1 1 357.414 2.335 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000458155868 560605812 /nfs/dbraw/zinc/60/58/12/560605812.db2.gz BAACTQBYASSBKE-ZDUSSCGKSA-N 1 1 365.430 2.464 20 5 FEBDMO CCN1C[C@H](C)[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000459492092 560689417 /nfs/dbraw/zinc/68/94/17/560689417.db2.gz ZQLMLXCXVOBRJY-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](CO)[C@H](O)C3)o2)c(Cl)c1 ZINC000459674111 560701452 /nfs/dbraw/zinc/70/14/52/560701452.db2.gz BOXMPZRRRKJDKK-MEBBXXQBSA-N 1 1 352.774 2.293 20 5 FEBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCOc3ccc([N+](=O)[O-])cc3C1)C2 ZINC000461404297 560770096 /nfs/dbraw/zinc/77/00/96/560770096.db2.gz CZROTACKLVNCBY-CYBMUJFWSA-N 1 1 356.382 2.083 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464798140 560851751 /nfs/dbraw/zinc/85/17/51/560851751.db2.gz IBUCRJBWTUDQBS-SGTLLEGYSA-N 1 1 371.397 2.308 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464798140 560851752 /nfs/dbraw/zinc/85/17/52/560851752.db2.gz IBUCRJBWTUDQBS-SGTLLEGYSA-N 1 1 371.397 2.308 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000464858492 560853540 /nfs/dbraw/zinc/85/35/40/560853540.db2.gz WWJBHZTULRILPL-XJKSGUPXSA-N 1 1 363.414 2.433 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000466819984 560896458 /nfs/dbraw/zinc/89/64/58/560896458.db2.gz VGXSBAAZCQKKKE-WBMJQRKESA-N 1 1 369.425 2.454 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@H+]1Cc1ccccc1 ZINC000467692585 560915022 /nfs/dbraw/zinc/91/50/22/560915022.db2.gz UFVKASSTOJLVEU-OCCSQVGLSA-N 1 1 356.382 2.088 20 5 FEBDMO CCOC(=O)c1cc(N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000467779504 560917166 /nfs/dbraw/zinc/91/71/66/560917166.db2.gz AWPPAYXAUIDSBX-STQMWFEESA-N 1 1 351.403 2.293 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCO1 ZINC000470151735 560975578 /nfs/dbraw/zinc/97/55/78/560975578.db2.gz JUGIKMHTZRTNNN-LBPRGKRZSA-N 1 1 354.382 2.356 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N=c2cc[nH]c3cc[nH+]cc32)c1C ZINC000471502176 561005767 /nfs/dbraw/zinc/00/57/67/561005767.db2.gz CBVVKERQUOWTGX-UHFFFAOYSA-N 1 1 358.379 2.378 20 5 FEBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000473169192 561043334 /nfs/dbraw/zinc/04/33/34/561043334.db2.gz MRUXVNNYYUJEHH-CQSZACIVSA-N 1 1 365.411 2.317 20 5 FEBDMO Cc1ccc(NCCCNC(=O)NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])c1 ZINC000474442088 561074258 /nfs/dbraw/zinc/07/42/58/561074258.db2.gz UEVMRFTYPNQGMD-UHFFFAOYSA-N 1 1 361.446 2.266 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1C ZINC000474572054 561077122 /nfs/dbraw/zinc/07/71/22/561077122.db2.gz DZDRGXQJNVJYQX-AWEZNQCLSA-N 1 1 355.460 2.363 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000475102735 561090613 /nfs/dbraw/zinc/09/06/13/561090613.db2.gz USHIPIWERDIIDC-LBPRGKRZSA-N 1 1 362.386 2.073 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000475102735 561090614 /nfs/dbraw/zinc/09/06/14/561090614.db2.gz USHIPIWERDIIDC-LBPRGKRZSA-N 1 1 362.386 2.073 20 5 FEBDMO COC(=O)C[C@@H]1CSCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000475902852 561107521 /nfs/dbraw/zinc/10/75/21/561107521.db2.gz WZAIVXHFTJXQGX-CQSZACIVSA-N 1 1 354.428 2.344 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000476351538 561117371 /nfs/dbraw/zinc/11/73/71/561117371.db2.gz DEUFXCJBDQXXMW-LBPRGKRZSA-N 1 1 363.443 2.032 20 5 FEBDMO COc1ccc(CC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000531304032 562441485 /nfs/dbraw/zinc/44/14/85/562441485.db2.gz IVQRJZPJRJYKKE-INIZCTEOSA-N 1 1 361.442 2.336 20 5 FEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532430644 562477850 /nfs/dbraw/zinc/47/78/50/562477850.db2.gz CWNUCMFAQSQEDC-SJORKVTESA-N 1 1 362.430 2.037 20 5 FEBDMO CCOc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000532581369 562482143 /nfs/dbraw/zinc/48/21/43/562482143.db2.gz WJMLSJAGKYKSCT-CQSZACIVSA-N 1 1 362.430 2.101 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000533023665 562495883 /nfs/dbraw/zinc/49/58/83/562495883.db2.gz RJAMUNMPLPDHQM-UHFFFAOYSA-N 1 1 365.430 2.094 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533304683 562504487 /nfs/dbraw/zinc/50/44/87/562504487.db2.gz JDUIKYMBRHTIKW-HNNXBMFYSA-N 1 1 374.441 2.258 20 5 FEBDMO COCCO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000535579166 562561975 /nfs/dbraw/zinc/56/19/75/562561975.db2.gz HYNVCMBYQRWYIG-MRXNPFEDSA-N 1 1 352.387 2.089 20 5 FEBDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000535579166 562561976 /nfs/dbraw/zinc/56/19/76/562561976.db2.gz HYNVCMBYQRWYIG-MRXNPFEDSA-N 1 1 352.387 2.089 20 5 FEBDMO CNC(=O)CCC[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602487781 567985840 /nfs/dbraw/zinc/98/58/40/567985840.db2.gz UEPKVMJHNZYPIN-UHFFFAOYSA-N 1 1 350.238 2.377 20 5 FEBDMO CNC(=O)CCC[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602487781 567985841 /nfs/dbraw/zinc/98/58/41/567985841.db2.gz UEPKVMJHNZYPIN-UHFFFAOYSA-N 1 1 350.238 2.377 20 5 FEBDMO COc1ccc(NC(=O)CN2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000602872614 568009407 /nfs/dbraw/zinc/00/94/07/568009407.db2.gz CPJOLZQYSLNVEK-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO CO[C@@H](C)c1nc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000569448489 568402787 /nfs/dbraw/zinc/40/27/87/568402787.db2.gz BYMNWGLVQXMSQW-FZMZJTMJSA-N 1 1 367.427 2.288 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@@H]([NH2+]Cc2ccccc2)c2ccco2)c1[N+](=O)[O-] ZINC000570185828 568460036 /nfs/dbraw/zinc/46/00/36/568460036.db2.gz UWNNXNOBXZGVJI-CQSZACIVSA-N 1 1 369.381 2.480 20 5 FEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027550 674479915 /nfs/dbraw/zinc/47/99/15/674479915.db2.gz YTMZRYZTVUJWSD-MISXGVKJSA-N 1 1 350.394 2.118 20 5 FEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027552 674479930 /nfs/dbraw/zinc/47/99/30/674479930.db2.gz YTMZRYZTVUJWSD-WDMOLILDSA-N 1 1 350.394 2.118 20 5 FEBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810074070 674529672 /nfs/dbraw/zinc/52/96/72/674529672.db2.gz KQGJKSCGELRSEY-HNNXBMFYSA-N 1 1 351.403 2.179 20 5 FEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810074070 674529673 /nfs/dbraw/zinc/52/96/73/674529673.db2.gz KQGJKSCGELRSEY-HNNXBMFYSA-N 1 1 351.403 2.179 20 5 FEBDMO CC[N@H+]1CCC[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452086 608371538 /nfs/dbraw/zinc/37/15/38/608371538.db2.gz NAJPWPRWIFVIIV-NSHDSACASA-N 1 1 368.401 2.219 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)cc1SC ZINC000812326200 674666415 /nfs/dbraw/zinc/66/64/15/674666415.db2.gz ULHPIJJRLKYIAE-NWDGAFQWSA-N 1 1 365.455 2.349 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000812386777 674671893 /nfs/dbraw/zinc/67/18/93/674671893.db2.gz FDYUTSFTVKHWQS-SNVBAGLBSA-N 1 1 351.432 2.450 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000561617285 674684245 /nfs/dbraw/zinc/68/42/45/674684245.db2.gz XLKGIRYAIAVMIK-LBPRGKRZSA-N 1 1 370.247 2.452 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000813509295 674754166 /nfs/dbraw/zinc/75/41/66/674754166.db2.gz WXBJUOZQJJUQCJ-KRWDZBQOSA-N 1 1 350.394 2.087 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCN(c2[nH]cc[nH+]2)CC1 ZINC000563355535 674876902 /nfs/dbraw/zinc/87/69/02/674876902.db2.gz QWCLGKOMOCLEFB-UHFFFAOYSA-N 1 1 366.219 2.403 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000564356902 675000507 /nfs/dbraw/zinc/00/05/07/675000507.db2.gz KVHCTOIWDPBLGJ-GFCCVEGCSA-N 1 1 359.448 2.002 20 5 FEBDMO Cc1ncsc1C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001048607763 675011630 /nfs/dbraw/zinc/01/16/30/675011630.db2.gz LLPIOZJFGLLTTA-KBUPBQIOSA-N 1 1 366.487 2.129 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3cccc(F)c3Cl)C[C@@H]2C1 ZINC001048814705 675015590 /nfs/dbraw/zinc/01/55/90/675015590.db2.gz YQCMBBOOLPENTO-QVHKTLOISA-N 1 1 367.808 2.035 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000572182546 670970711 /nfs/dbraw/zinc/97/07/11/670970711.db2.gz DUGGYLBGFUUXKT-AWEZNQCLSA-N 1 1 359.473 2.071 20 5 FEBDMO COc1cc(C[N@H+](C)[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000576620579 671382195 /nfs/dbraw/zinc/38/21/95/671382195.db2.gz RJOZXUDCDSVIAL-SECBINFHSA-N 1 1 352.309 2.357 20 5 FEBDMO COc1cc(C[N@@H+](C)[C@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000576620579 671382200 /nfs/dbraw/zinc/38/22/00/671382200.db2.gz RJOZXUDCDSVIAL-SECBINFHSA-N 1 1 352.309 2.357 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000577462544 671597508 /nfs/dbraw/zinc/59/75/08/671597508.db2.gz FOGWKQSNVLJKFQ-UHFFFAOYSA-N 1 1 369.487 2.477 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCOC1 ZINC000609631666 675929963 /nfs/dbraw/zinc/92/99/63/675929963.db2.gz KZWNMTIBJBOISB-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609674203 675931943 /nfs/dbraw/zinc/93/19/43/675931943.db2.gz GLHIASLHUNSEDO-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848425 675938972 /nfs/dbraw/zinc/93/89/72/675938972.db2.gz IVWZFDAIWAUXKE-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CCO)C1 ZINC000609848425 675938973 /nfs/dbraw/zinc/93/89/73/675938973.db2.gz IVWZFDAIWAUXKE-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000580356527 671800022 /nfs/dbraw/zinc/80/00/22/671800022.db2.gz JZOXRWIOPDJQCF-LBPRGKRZSA-N 1 1 359.448 2.002 20 5 FEBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120266176 671921011 /nfs/dbraw/zinc/92/10/11/671921011.db2.gz IKMXPMWMZCCLRS-GFCCVEGCSA-N 1 1 369.468 2.455 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000610135308 675956163 /nfs/dbraw/zinc/95/61/63/675956163.db2.gz PLMNXMXWPUCKQE-RYUDHWBXSA-N 1 1 359.423 2.227 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000610135396 675956304 /nfs/dbraw/zinc/95/63/04/675956304.db2.gz RCWVQNIBOYHXMA-KGLIPLIRSA-N 1 1 355.460 2.397 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000610135259 675956372 /nfs/dbraw/zinc/95/63/72/675956372.db2.gz NXGHOGJUBHNIIG-STQMWFEESA-N 1 1 371.459 2.097 20 5 FEBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)NCc1c[nH+]c2n1CCCC2 ZINC000582569379 672014414 /nfs/dbraw/zinc/01/44/14/672014414.db2.gz KCZQHIMCEGEYAK-UHFFFAOYSA-N 1 1 350.325 2.265 20 5 FEBDMO O=c1c([N+](=O)[O-])cc2c(n1Cc1[nH+]ccn1CC(F)(F)F)CCCC2 ZINC000584350315 672179685 /nfs/dbraw/zinc/17/96/85/672179685.db2.gz CMBVJWOIENOQDI-UHFFFAOYSA-N 1 1 356.304 2.442 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000153799836 672205099 /nfs/dbraw/zinc/20/50/99/672205099.db2.gz XEBWVAUHYSHOML-HNNXBMFYSA-N 1 1 350.375 2.224 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000153799836 672205101 /nfs/dbraw/zinc/20/51/01/672205101.db2.gz XEBWVAUHYSHOML-HNNXBMFYSA-N 1 1 350.375 2.224 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000587983939 672443630 /nfs/dbraw/zinc/44/36/30/672443630.db2.gz UEHASCWCYAWNTP-RISCZKNCSA-N 1 1 350.419 2.251 20 5 FEBDMO CSc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590398992 672578145 /nfs/dbraw/zinc/57/81/45/672578145.db2.gz BEISQTHAVKJSAJ-HIFRSBDPSA-N 1 1 365.455 2.252 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447662 672583385 /nfs/dbraw/zinc/58/33/85/672583385.db2.gz ZCRQIEAYFWQJBQ-NOZJJQNGSA-N 1 1 354.204 2.133 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@](C)(C(=O)OC)C2)c1 ZINC000591266607 672663513 /nfs/dbraw/zinc/66/35/13/672663513.db2.gz AHMZQURROJQENJ-KRWDZBQOSA-N 1 1 350.371 2.157 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@](C)(C(=O)OC)C2)c1 ZINC000591266607 672663515 /nfs/dbraw/zinc/66/35/15/672663515.db2.gz AHMZQURROJQENJ-KRWDZBQOSA-N 1 1 350.371 2.157 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000612592301 676089824 /nfs/dbraw/zinc/08/98/24/676089824.db2.gz JWWDMSPPTFKPTQ-UHFFFAOYSA-N 1 1 360.395 2.035 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594801452 673147879 /nfs/dbraw/zinc/14/78/79/673147879.db2.gz ONPRQXARGKALNB-JTQLQIEISA-N 1 1 361.851 2.399 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CCC2CCC2)CC1 ZINC000595289142 673216935 /nfs/dbraw/zinc/21/69/35/673216935.db2.gz PFVMVMFLSNPARF-UHFFFAOYSA-N 1 1 353.444 2.091 20 5 FEBDMO C[N@H+]1CC[C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000729263810 673230582 /nfs/dbraw/zinc/23/05/82/673230582.db2.gz JNJWDTMWSGGWQM-SECBINFHSA-N 1 1 367.349 2.252 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000462504611 673256079 /nfs/dbraw/zinc/25/60/79/673256079.db2.gz UMFBLQQHAVAZOF-ONGXEEELSA-N 1 1 361.851 2.318 20 5 FEBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000597991144 673527748 /nfs/dbraw/zinc/52/77/48/673527748.db2.gz OAHKNGNXOHGBOA-CQSZACIVSA-N 1 1 361.423 2.153 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348630 673535462 /nfs/dbraw/zinc/53/54/62/673535462.db2.gz RNOYGKSJMYGBES-KGLIPLIRSA-N 1 1 350.419 2.066 20 5 FEBDMO COC(=O)c1ccnc(N2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000598589172 673587132 /nfs/dbraw/zinc/58/71/32/673587132.db2.gz GTJCNYLMLFQWJH-UHFFFAOYSA-N 1 1 350.419 2.333 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598603475 673588544 /nfs/dbraw/zinc/58/85/44/673588544.db2.gz UKSUBNUXVSBKJD-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO C[NH+]1CCN(CC2CN(c3c(Br)cccc3[N+](=O)[O-])C2)CC1 ZINC000599104434 673633490 /nfs/dbraw/zinc/63/34/90/673633490.db2.gz BMPRYYIPVSQGKJ-UHFFFAOYSA-N 1 1 369.263 2.041 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000543677045 673660949 /nfs/dbraw/zinc/66/09/49/673660949.db2.gz WXJBZYFYOVDDHG-TZMCWYRMSA-N 1 1 355.460 2.315 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000599392556 673668873 /nfs/dbraw/zinc/66/88/73/673668873.db2.gz VOCIUEFMOBDPBL-LBPRGKRZSA-N 1 1 359.473 2.342 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)s1 ZINC000599392556 673668877 /nfs/dbraw/zinc/66/88/77/673668877.db2.gz VOCIUEFMOBDPBL-LBPRGKRZSA-N 1 1 359.473 2.342 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000600068685 673738539 /nfs/dbraw/zinc/73/85/39/673738539.db2.gz IJPFXPKIYINLCT-DNOWBOINSA-N 1 1 365.455 2.055 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000545832375 673776961 /nfs/dbraw/zinc/77/69/61/673776961.db2.gz MKCLRJLPHXDYGR-UHFFFAOYSA-N 1 1 353.444 2.088 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000545832375 673776964 /nfs/dbraw/zinc/77/69/64/673776964.db2.gz MKCLRJLPHXDYGR-UHFFFAOYSA-N 1 1 353.444 2.088 20 5 FEBDMO CCS(=O)(=O)N1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000601163332 673830201 /nfs/dbraw/zinc/83/02/01/673830201.db2.gz HWJUTCJTIMMYJW-GFCCVEGCSA-N 1 1 364.427 2.003 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601356611 673847615 /nfs/dbraw/zinc/84/76/15/673847615.db2.gz SJPUQRBKWKVQIC-CMPLNLGQSA-N 1 1 361.489 2.316 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CC1(O)CCOCC1 ZINC000601956373 673900103 /nfs/dbraw/zinc/90/01/03/673900103.db2.gz RCBKGRHAGALJDE-KRWDZBQOSA-N 1 1 352.431 2.098 20 5 FEBDMO Cc1sc(C(=O)N[C@@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)cc1[N+](=O)[O-] ZINC000603111501 673917369 /nfs/dbraw/zinc/91/73/69/673917369.db2.gz RAKASADKGPVLQL-KGLIPLIRSA-N 1 1 353.444 2.194 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccccc1Cl ZINC000548385106 673954681 /nfs/dbraw/zinc/95/46/81/673954681.db2.gz GUUHTYMSXNNQDQ-ZDUSSCGKSA-N 1 1 363.805 2.258 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000566646372 675231267 /nfs/dbraw/zinc/23/12/67/675231267.db2.gz JCINLOONLPTBLO-WUKHSURWSA-N 1 1 367.471 2.211 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000822426855 675483787 /nfs/dbraw/zinc/48/37/87/675483787.db2.gz XNWXVOYESMGUFD-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000618068315 676318177 /nfs/dbraw/zinc/31/81/77/676318177.db2.gz QEXBFCGUCCYLKC-OAHLLOKOSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000618068315 676318178 /nfs/dbraw/zinc/31/81/78/676318178.db2.gz QEXBFCGUCCYLKC-OAHLLOKOSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000618068160 676318202 /nfs/dbraw/zinc/31/82/02/676318202.db2.gz BGVXDKSGPUKZAW-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000618068160 676318203 /nfs/dbraw/zinc/31/82/03/676318203.db2.gz BGVXDKSGPUKZAW-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000618068366 676318428 /nfs/dbraw/zinc/31/84/28/676318428.db2.gz WRDAQDWOTGAPHG-HNNXBMFYSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000618068366 676318429 /nfs/dbraw/zinc/31/84/29/676318429.db2.gz WRDAQDWOTGAPHG-HNNXBMFYSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000618455842 676340368 /nfs/dbraw/zinc/34/03/68/676340368.db2.gz VPZRVJCYDVTQDQ-ZFWWWQNUSA-N 1 1 367.833 2.228 20 5 FEBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000839669362 680770380 /nfs/dbraw/zinc/77/03/80/680770380.db2.gz OXAURAUDKKMIOA-LBPRGKRZSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC(=O)N1 ZINC000839669362 680770381 /nfs/dbraw/zinc/77/03/81/680770381.db2.gz OXAURAUDKKMIOA-LBPRGKRZSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)OCCC[N@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840006586 680792365 /nfs/dbraw/zinc/79/23/65/680792365.db2.gz DEYQAPBTMGVOJX-QGZVFWFLSA-N 1 1 351.403 2.236 20 5 FEBDMO CC(C)OCCC[N@@H+](C)CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840006586 680792367 /nfs/dbraw/zinc/79/23/67/680792367.db2.gz DEYQAPBTMGVOJX-QGZVFWFLSA-N 1 1 351.403 2.236 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000840222761 680808632 /nfs/dbraw/zinc/80/86/32/680808632.db2.gz RIULTDSQQCCRNY-LBPRGKRZSA-N 1 1 350.371 2.397 20 5 FEBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832285724 680120042 /nfs/dbraw/zinc/12/00/42/680120042.db2.gz WOZQMLUQWYZHNO-SWLSCSKDSA-N 1 1 361.364 2.444 20 5 FEBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832285724 680120043 /nfs/dbraw/zinc/12/00/43/680120043.db2.gz WOZQMLUQWYZHNO-SWLSCSKDSA-N 1 1 361.364 2.444 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000997768756 680365579 /nfs/dbraw/zinc/36/55/79/680365579.db2.gz JIYBWCCSXODWQV-GDBMZVCRSA-N 1 1 369.824 2.473 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000754787018 680378101 /nfs/dbraw/zinc/37/81/01/680378101.db2.gz WWZGGCWFXNTIRE-LBPRGKRZSA-N 1 1 356.220 2.268 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Cl ZINC000836641150 680493758 /nfs/dbraw/zinc/49/37/58/680493758.db2.gz KQUMWWKEOIYLMU-GOEBONIOSA-N 1 1 367.833 2.228 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCCCC[N@H+](C)C1CC1 ZINC000841526845 680892029 /nfs/dbraw/zinc/89/20/29/680892029.db2.gz AANAJVQCUGKXPN-UHFFFAOYSA-N 1 1 359.423 2.195 20 5 FEBDMO COc1cc(NC[C@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000766930272 680893313 /nfs/dbraw/zinc/89/33/13/680893313.db2.gz DOSOFTGBDWPLHC-OAHLLOKOSA-N 1 1 353.419 2.381 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768849404 680961327 /nfs/dbraw/zinc/96/13/27/680961327.db2.gz WWNFXPDWKZWBGZ-LBPRGKRZSA-N 1 1 359.473 2.009 20 5 FEBDMO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843362407 680999758 /nfs/dbraw/zinc/99/97/58/680999758.db2.gz FWLTVYPQILCVRH-ONXXMXGDSA-N 1 1 350.394 2.277 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC001050516786 681049187 /nfs/dbraw/zinc/04/91/87/681049187.db2.gz JOHKPWNPMOWHLQ-HZPDHXFCSA-N 1 1 363.845 2.430 20 5 FEBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000932509407 681258476 /nfs/dbraw/zinc/25/84/76/681258476.db2.gz MZJSIMRWFGIBMG-AWEZNQCLSA-N 1 1 351.451 2.117 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847257259 681354630 /nfs/dbraw/zinc/35/46/30/681354630.db2.gz VUZLMALYROZIIQ-HOCLYGCPSA-N 1 1 351.378 2.246 20 5 FEBDMO O=C1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCN1C1CCOCC1 ZINC000776232002 681374971 /nfs/dbraw/zinc/37/49/71/681374971.db2.gz SRLJRIPJZVDXDH-HNNXBMFYSA-N 1 1 353.806 2.118 20 5 FEBDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584740 681411205 /nfs/dbraw/zinc/41/12/05/681411205.db2.gz PSLGATGZKATQTH-HNNXBMFYSA-N 1 1 353.419 2.475 20 5 FEBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591691 681412627 /nfs/dbraw/zinc/41/26/27/681412627.db2.gz FVHIDECTWPLNKJ-IUODEOHRSA-N 1 1 353.419 2.473 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2CC2CCOCC2)c1 ZINC000934643527 681604901 /nfs/dbraw/zinc/60/49/01/681604901.db2.gz MIRLDXXXDPXNQB-KRWDZBQOSA-N 1 1 350.415 2.491 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2CC2CCOCC2)c1 ZINC000934643527 681604906 /nfs/dbraw/zinc/60/49/06/681604906.db2.gz MIRLDXXXDPXNQB-KRWDZBQOSA-N 1 1 350.415 2.491 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000934955777 681664188 /nfs/dbraw/zinc/66/41/88/681664188.db2.gz ZHOYJXHHYRHGRI-CQSZACIVSA-N 1 1 367.471 2.283 20 5 FEBDMO C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000934965669 681665653 /nfs/dbraw/zinc/66/56/53/681665653.db2.gz MGFJICNFOSFSIX-IAQYHMDHSA-N 1 1 355.822 2.016 20 5 FEBDMO C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000934965669 681665658 /nfs/dbraw/zinc/66/56/58/681665658.db2.gz MGFJICNFOSFSIX-IAQYHMDHSA-N 1 1 355.822 2.016 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000779905622 681769729 /nfs/dbraw/zinc/76/97/29/681769729.db2.gz XNSXEJXZJDGING-SNVBAGLBSA-N 1 1 361.851 2.177 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](CCCCCO)CC1 ZINC000913689504 685482142 /nfs/dbraw/zinc/48/21/42/685482142.db2.gz QVRCZEBJWYDVGH-UHFFFAOYSA-N 1 1 355.822 2.169 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c(Cl)c1 ZINC000850364806 681892334 /nfs/dbraw/zinc/89/23/34/681892334.db2.gz UFGMTKZKMKLUKV-UHFFFAOYSA-N 1 1 360.741 2.315 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC[NH+]1CCSCC1 ZINC000781821132 681976959 /nfs/dbraw/zinc/97/69/59/681976959.db2.gz WBWPPTIGFQUMAT-UHFFFAOYSA-N 1 1 369.399 2.028 20 5 FEBDMO Cc1c(C[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cccc1[N+](=O)[O-] ZINC000917136099 685529994 /nfs/dbraw/zinc/52/99/94/685529994.db2.gz XQTOFVSFCTWFRE-UHFFFAOYSA-N 1 1 363.439 2.443 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1F ZINC000784719469 682248517 /nfs/dbraw/zinc/24/85/17/682248517.db2.gz ASRDQWQLFGDBAA-YPMHNXCESA-N 1 1 373.450 2.441 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(OC(F)F)c1 ZINC000853966271 682495584 /nfs/dbraw/zinc/49/55/84/682495584.db2.gz RRXMGYWOYWSDNC-ZDUSSCGKSA-N 1 1 357.357 2.232 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000854643861 682574327 /nfs/dbraw/zinc/57/43/27/682574327.db2.gz ZJDMWAVLHSNAOO-GDBMZVCRSA-N 1 1 367.833 2.492 20 5 FEBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855167180 682634942 /nfs/dbraw/zinc/63/49/42/682634942.db2.gz XEHHRPJCGXCSCV-NSHDSACASA-N 1 1 350.375 2.414 20 5 FEBDMO O=C(NCCCCC[NH+]1CCNCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000926112145 683077839 /nfs/dbraw/zinc/07/78/39/683077839.db2.gz MWFIRHDPVKYJET-UHFFFAOYSA-N 1 1 369.853 2.445 20 5 FEBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795830545 683096079 /nfs/dbraw/zinc/09/60/79/683096079.db2.gz VVCREJVKUZSZGW-UHFFFAOYSA-N 1 1 367.830 2.398 20 5 FEBDMO COc1ccc(CSCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451743 683453966 /nfs/dbraw/zinc/45/39/66/683453966.db2.gz GNQUZPOTAVYHEN-DGCLKSJQSA-N 1 1 353.444 2.045 20 5 FEBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929212164 683562810 /nfs/dbraw/zinc/56/28/10/683562810.db2.gz NWNONXWUBPYVDR-KBPBESRZSA-N 1 1 368.821 2.311 20 5 FEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000922156313 683671336 /nfs/dbraw/zinc/67/13/36/683671336.db2.gz MHXNSFJVEYCUCZ-LLVKDONJSA-N 1 1 356.220 2.110 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000931186299 683849760 /nfs/dbraw/zinc/84/97/60/683849760.db2.gz LVCIALXIKHKCFF-QWHCGFSZSA-N 1 1 367.833 2.160 20 5 FEBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865437600 683982962 /nfs/dbraw/zinc/98/29/62/683982962.db2.gz COBQGUGXVAYLDD-UHFFFAOYSA-N 1 1 356.373 2.181 20 5 FEBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865437600 683982965 /nfs/dbraw/zinc/98/29/65/683982965.db2.gz COBQGUGXVAYLDD-UHFFFAOYSA-N 1 1 356.373 2.181 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000866073319 684068663 /nfs/dbraw/zinc/06/86/63/684068663.db2.gz OJVHSVQZXVUEDA-ZYHUDNBSSA-N 1 1 370.247 2.499 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000868519617 684505136 /nfs/dbraw/zinc/50/51/36/684505136.db2.gz CYEONUUGRNQLHB-RISCZKNCSA-N 1 1 368.231 2.062 20 5 FEBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CNCCC1(F)F ZINC000925777421 684584676 /nfs/dbraw/zinc/58/46/76/684584676.db2.gz DMHYQUUUFKQGQE-VXGBXAGGSA-N 1 1 356.373 2.146 20 5 FEBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000925777421 684584680 /nfs/dbraw/zinc/58/46/80/684584680.db2.gz DMHYQUUUFKQGQE-VXGBXAGGSA-N 1 1 356.373 2.146 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000878169903 686534001 /nfs/dbraw/zinc/53/40/01/686534001.db2.gz WYVSZLVGWXPIEF-CYBMUJFWSA-N 1 1 353.423 2.041 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879558769 686855026 /nfs/dbraw/zinc/85/50/26/686855026.db2.gz KWKGJDFFJFPFEX-NWDGAFQWSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879558769 686855032 /nfs/dbraw/zinc/85/50/32/686855032.db2.gz KWKGJDFFJFPFEX-NWDGAFQWSA-N 1 1 351.428 2.227 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000879575052 686860240 /nfs/dbraw/zinc/86/02/40/686860240.db2.gz ILCZEUOIKSWDFM-IAQYHMDHSA-N 1 1 352.822 2.213 20 5 FEBDMO Cc1c(Cl)ccc2c1C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000879768951 686906079 /nfs/dbraw/zinc/90/60/79/686906079.db2.gz KOTGVXZCSHNVTN-CQSZACIVSA-N 1 1 350.806 2.172 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)cc1 ZINC000880580014 687061884 /nfs/dbraw/zinc/06/18/84/687061884.db2.gz XUTNOMZHHMKPMH-MRXNPFEDSA-N 1 1 350.415 2.227 20 5 FEBDMO O=[N+]([O-])c1c(F)nccc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000881843576 687230893 /nfs/dbraw/zinc/23/08/93/687230893.db2.gz IBHKJIKAEIQFQK-UHFFFAOYSA-N 1 1 366.315 2.220 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886578412 688279061 /nfs/dbraw/zinc/27/90/61/688279061.db2.gz VDQHDHUHIYJLQH-JOXOIDLHSA-N 1 1 353.806 2.278 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886578412 688279063 /nfs/dbraw/zinc/27/90/63/688279063.db2.gz VDQHDHUHIYJLQH-JOXOIDLHSA-N 1 1 353.806 2.278 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)C[C@@H]1C ZINC000888281274 688576517 /nfs/dbraw/zinc/57/65/17/688576517.db2.gz TVJOKCJNUNKWEE-NSHDSACASA-N 1 1 356.810 2.087 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)C[C@@H]1C ZINC000888281274 688576521 /nfs/dbraw/zinc/57/65/21/688576521.db2.gz TVJOKCJNUNKWEE-NSHDSACASA-N 1 1 356.810 2.087 20 5 FEBDMO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895246117 689683456 /nfs/dbraw/zinc/68/34/56/689683456.db2.gz LMTYKZVICHFYTN-QMTHXVAHSA-N 1 1 357.252 2.404 20 5 FEBDMO C[N@H+]1CC[C@@H](CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000899213383 690320435 /nfs/dbraw/zinc/32/04/35/690320435.db2.gz DNVYJPJOQOLRRW-JTQLQIEISA-N 1 1 356.220 2.315 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@H](C)C1 ZINC000910280328 691910557 /nfs/dbraw/zinc/91/05/57/691910557.db2.gz QLLXRFKCEOJDBY-GFCCVEGCSA-N 1 1 352.410 2.356 20 5 FEBDMO COc1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164726505 720376214 /nfs/dbraw/zinc/37/62/14/720376214.db2.gz OZWOXXFMYQUEAU-HZPDHXFCSA-N 1 1 355.398 2.247 20 5 FEBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1N)[C@H]2C ZINC001164858145 720996052 /nfs/dbraw/zinc/99/60/52/720996052.db2.gz IBBFSQWLYGUKDR-LBPRGKRZSA-N 1 1 359.434 2.190 20 5 FEBDMO O=[N+]([O-])c1cc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164780606 721419399 /nfs/dbraw/zinc/41/93/99/721419399.db2.gz BOZMSOXIGHZSCU-TXEJJXNPSA-N 1 1 370.438 2.496 20 5 FEBDMO O=[N+]([O-])c1cc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164780606 721419402 /nfs/dbraw/zinc/41/94/02/721419402.db2.gz BOZMSOXIGHZSCU-TXEJJXNPSA-N 1 1 370.438 2.496 20 5 FEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165042359 721952210 /nfs/dbraw/zinc/95/22/10/721952210.db2.gz LJBIHHKVGLJLST-UHFFFAOYSA-N 1 1 363.805 2.239 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000359928369 210197563 /nfs/dbraw/zinc/19/75/63/210197563.db2.gz RJGDWWJSXALHRQ-CSHXORCISA-N 1 1 372.469 2.237 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000023977043 539722856 /nfs/dbraw/zinc/72/28/56/539722856.db2.gz YGZYPBUULTUSLY-GFCCVEGCSA-N 1 1 355.441 2.238 20 5 FEBDMO COC(=O)c1ccc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026321680 539782931 /nfs/dbraw/zinc/78/29/31/539782931.db2.gz KYHUFTBUIIMYFJ-KRWDZBQOSA-N 1 1 374.393 2.253 20 5 FEBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000031174472 539900468 /nfs/dbraw/zinc/90/04/68/539900468.db2.gz QWRQLYJQWFZMSD-OAHLLOKOSA-N 1 1 371.393 2.356 20 5 FEBDMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1 ZINC000031174472 539900470 /nfs/dbraw/zinc/90/04/70/539900470.db2.gz QWRQLYJQWFZMSD-OAHLLOKOSA-N 1 1 371.393 2.356 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000032295313 539933485 /nfs/dbraw/zinc/93/34/85/539933485.db2.gz HENKKLNYIIQIFJ-UHFFFAOYSA-N 1 1 369.421 2.361 20 5 FEBDMO Cc1cc(CN2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)no1 ZINC000041894671 540038371 /nfs/dbraw/zinc/03/83/71/540038371.db2.gz HTBSPCKRDIIUQR-UHFFFAOYSA-N 1 1 373.413 2.038 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000043084811 540087649 /nfs/dbraw/zinc/08/76/49/540087649.db2.gz USFVDQUIQVHMJL-OLZOCXBDSA-N 1 1 363.414 2.374 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000045378045 540210931 /nfs/dbraw/zinc/21/09/31/540210931.db2.gz UKPLCHIUCXAXMG-OKILXGFUSA-N 1 1 364.446 2.282 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000045378045 540210938 /nfs/dbraw/zinc/21/09/38/540210938.db2.gz UKPLCHIUCXAXMG-OKILXGFUSA-N 1 1 364.446 2.282 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000046484463 540259377 /nfs/dbraw/zinc/25/93/77/540259377.db2.gz BMEATYHDIBWOHN-MRXNPFEDSA-N 1 1 358.446 2.119 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000046484463 540259379 /nfs/dbraw/zinc/25/93/79/540259379.db2.gz BMEATYHDIBWOHN-MRXNPFEDSA-N 1 1 358.446 2.119 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000046484463 540259380 /nfs/dbraw/zinc/25/93/80/540259380.db2.gz BMEATYHDIBWOHN-MRXNPFEDSA-N 1 1 358.446 2.119 20 5 FEBDMO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000046593193 540263090 /nfs/dbraw/zinc/26/30/90/540263090.db2.gz DVKMPGDGMRHISI-CQSZACIVSA-N 1 1 358.398 2.128 20 5 FEBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1 ZINC000047593102 540319257 /nfs/dbraw/zinc/31/92/57/540319257.db2.gz MYLQHNKVYBIPQL-UHFFFAOYSA-N 1 1 356.382 2.494 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccccc1 ZINC000047593102 540319259 /nfs/dbraw/zinc/31/92/59/540319259.db2.gz MYLQHNKVYBIPQL-UHFFFAOYSA-N 1 1 356.382 2.494 20 5 FEBDMO CNC(=O)C1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000053847033 540557605 /nfs/dbraw/zinc/55/76/05/540557605.db2.gz PFTXVNGINDBDEA-NSHDSACASA-N 1 1 359.386 2.164 20 5 FEBDMO O=C(c1ccoc1)N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000055059604 540625167 /nfs/dbraw/zinc/62/51/67/540625167.db2.gz ZKNSOTLWBYGNGE-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO O=C(c1ccoc1)N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000055059604 540625170 /nfs/dbraw/zinc/62/51/70/540625170.db2.gz ZKNSOTLWBYGNGE-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000066124697 541283709 /nfs/dbraw/zinc/28/37/09/541283709.db2.gz KELRVJYQGSHFCM-ZDUSSCGKSA-N 1 1 359.430 2.455 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000067382962 541452481 /nfs/dbraw/zinc/45/24/81/541452481.db2.gz NCQCSOBLYAIPNI-AWEZNQCLSA-N 1 1 357.414 2.456 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000068311646 541575364 /nfs/dbraw/zinc/57/53/64/541575364.db2.gz XAMYQIIBPDSENJ-OAHLLOKOSA-N 1 1 363.414 2.023 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000068525238 541603609 /nfs/dbraw/zinc/60/36/09/541603609.db2.gz GWIIXGZFFAITMS-HNNXBMFYSA-N 1 1 363.462 2.403 20 5 FEBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000068985467 541646897 /nfs/dbraw/zinc/64/68/97/541646897.db2.gz LVXOOWZVYMOENS-WMZOPIPTSA-N 1 1 369.425 2.324 20 5 FEBDMO CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665244 541847623 /nfs/dbraw/zinc/84/76/23/541847623.db2.gz BJKDRTTWGJZCIR-INIZCTEOSA-N 1 1 369.425 2.135 20 5 FEBDMO CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665244 541847626 /nfs/dbraw/zinc/84/76/26/541847626.db2.gz BJKDRTTWGJZCIR-INIZCTEOSA-N 1 1 369.425 2.135 20 5 FEBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000074798309 542122815 /nfs/dbraw/zinc/12/28/15/542122815.db2.gz ZKBPRBDNKYZXOH-QGZVFWFLSA-N 1 1 367.409 2.346 20 5 FEBDMO CC(C)(C)C(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075636172 542194317 /nfs/dbraw/zinc/19/43/17/542194317.db2.gz AKJMQJZDFKOCEO-UHFFFAOYSA-N 1 1 362.430 2.114 20 5 FEBDMO CC(C)C[N@H+]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000077363800 542372891 /nfs/dbraw/zinc/37/28/91/542372891.db2.gz BIDYMNBSBRMQQS-UHFFFAOYSA-N 1 1 360.458 2.148 20 5 FEBDMO CCOC(=O)c1ccnc(N2CCC[N@@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000077967229 542433523 /nfs/dbraw/zinc/43/35/23/542433523.db2.gz LLARAQPUPDCGGL-UHFFFAOYSA-N 1 1 350.419 2.335 20 5 FEBDMO Cc1ccc(N2CCC(Nc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000078305550 542453827 /nfs/dbraw/zinc/45/38/27/542453827.db2.gz IRUGXNMJVDCAAE-UHFFFAOYSA-N 1 1 355.398 2.478 20 5 FEBDMO CCN1CC[NH+](CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000081287744 542644558 /nfs/dbraw/zinc/64/45/58/542644558.db2.gz BSSIIPKHCMAWRF-UHFFFAOYSA-N 1 1 362.474 2.359 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000081364232 542651284 /nfs/dbraw/zinc/65/12/84/542651284.db2.gz CTCAZSNHICQHEK-CYBMUJFWSA-N 1 1 363.414 2.170 20 5 FEBDMO CCOc1ccc(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)cc1[N+](=O)[O-] ZINC000802141323 674163677 /nfs/dbraw/zinc/16/36/77/674163677.db2.gz VYSXDQJSDOEUDM-CQSZACIVSA-N 1 1 352.387 2.260 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000092604800 542873664 /nfs/dbraw/zinc/87/36/64/542873664.db2.gz CFJZJKUNSDKOFT-UHFFFAOYSA-N 1 1 357.414 2.216 20 5 FEBDMO Nc1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)c[nH+]1 ZINC000092624631 542876215 /nfs/dbraw/zinc/87/62/15/542876215.db2.gz KVVJIHAPVJPLPZ-UHFFFAOYSA-N 1 1 350.382 2.447 20 5 FEBDMO COCC[N@@H+](CCO)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000093005892 542901469 /nfs/dbraw/zinc/90/14/69/542901469.db2.gz ZPOHUUUWVBHBKJ-UHFFFAOYSA-N 1 1 350.371 2.304 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000093413041 542929918 /nfs/dbraw/zinc/92/99/18/542929918.db2.gz UWVUQCWYGPGTEG-UHFFFAOYSA-N 1 1 373.400 2.475 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccnc3)C2)nc1 ZINC000093534707 542934110 /nfs/dbraw/zinc/93/41/10/542934110.db2.gz MCGRYPRIVMEYNR-HNNXBMFYSA-N 1 1 365.397 2.461 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])cc1OC ZINC000093870225 542943428 /nfs/dbraw/zinc/94/34/28/542943428.db2.gz LOFBZPOQDBKJOO-CYBMUJFWSA-N 1 1 360.414 2.410 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102345970 543065476 /nfs/dbraw/zinc/06/54/76/543065476.db2.gz BRRJBYHKZOFOQI-AWEZNQCLSA-N 1 1 351.451 2.297 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)C1 ZINC000103006857 543088241 /nfs/dbraw/zinc/08/82/41/543088241.db2.gz OCGLTJPMARIQMJ-CYBMUJFWSA-N 1 1 372.381 2.137 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000106166675 543211076 /nfs/dbraw/zinc/21/10/76/543211076.db2.gz LFBXWZCBWDTOEM-UHFFFAOYSA-N 1 1 357.414 2.222 20 5 FEBDMO Cc1sc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000107282799 543264931 /nfs/dbraw/zinc/26/49/31/543264931.db2.gz RLZYRKBUPQUPCE-CQSZACIVSA-N 1 1 366.487 2.207 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+](C)Cc1ccccc1 ZINC000111348575 543398123 /nfs/dbraw/zinc/39/81/23/543398123.db2.gz IDNNYAYCIXOEBP-AWEZNQCLSA-N 1 1 363.439 2.394 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000112914770 543467901 /nfs/dbraw/zinc/46/79/01/543467901.db2.gz XGOFYANNHDRBDI-MRXNPFEDSA-N 1 1 368.865 2.250 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000115272458 543557133 /nfs/dbraw/zinc/55/71/33/543557133.db2.gz XIHKBYNPKMWYFW-CRAIPNDOSA-N 1 1 363.458 2.391 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115486631 543570289 /nfs/dbraw/zinc/57/02/89/543570289.db2.gz DCFCOTVZLVMVEN-CZUORRHYSA-N 1 1 364.446 2.044 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000115486625 543570294 /nfs/dbraw/zinc/57/02/94/543570294.db2.gz DCFCOTVZLVMVEN-CJNGLKHVSA-N 1 1 364.446 2.044 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000115859012 543590890 /nfs/dbraw/zinc/59/08/90/543590890.db2.gz SMPOXMGTNXPGLS-BETUJISGSA-N 1 1 365.430 2.221 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000115859012 543590892 /nfs/dbraw/zinc/59/08/92/543590892.db2.gz SMPOXMGTNXPGLS-BETUJISGSA-N 1 1 365.430 2.221 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000117336087 543629924 /nfs/dbraw/zinc/62/99/24/543629924.db2.gz VYRZPCMSBKHXQI-ZDUSSCGKSA-N 1 1 371.397 2.496 20 5 FEBDMO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000116931426 543619592 /nfs/dbraw/zinc/61/95/92/543619592.db2.gz XSCCAIOJAIZPIE-SOUVJXGZSA-N 1 1 364.446 2.011 20 5 FEBDMO C[C@@H](CNC(=O)CCNc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000116931426 543619594 /nfs/dbraw/zinc/61/95/94/543619594.db2.gz XSCCAIOJAIZPIE-SOUVJXGZSA-N 1 1 364.446 2.011 20 5 FEBDMO CC1CCC(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000118866720 543661218 /nfs/dbraw/zinc/66/12/18/543661218.db2.gz VNXAIZYKXLYSBL-YMAMQOFZSA-N 1 1 361.446 2.171 20 5 FEBDMO CC1CCC(NC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000118866720 543661221 /nfs/dbraw/zinc/66/12/21/543661221.db2.gz VNXAIZYKXLYSBL-YMAMQOFZSA-N 1 1 361.446 2.171 20 5 FEBDMO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000119429091 543666974 /nfs/dbraw/zinc/66/69/74/543666974.db2.gz XOOAAKRTAOADQD-CJNGLKHVSA-N 1 1 361.446 2.002 20 5 FEBDMO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccccc2[N+](=O)[O-])cc1 ZINC000123862363 543787432 /nfs/dbraw/zinc/78/74/32/543787432.db2.gz JJCCTIXGTOSWNX-UHFFFAOYSA-N 1 1 356.426 2.176 20 5 FEBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000124832292 543845418 /nfs/dbraw/zinc/84/54/18/543845418.db2.gz YRWFDKHNQTWOQY-HNNXBMFYSA-N 1 1 357.414 2.302 20 5 FEBDMO Cc1cccc(NCCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[nH+]1 ZINC000126239924 543925716 /nfs/dbraw/zinc/92/57/16/543925716.db2.gz BBHXBKHIIVBRGA-UHFFFAOYSA-N 1 1 366.381 2.326 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000125764777 543900321 /nfs/dbraw/zinc/90/03/21/543900321.db2.gz AYCPUNVUCQNNFC-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126471005 543937619 /nfs/dbraw/zinc/93/76/19/543937619.db2.gz JKNNZQJAXOIELF-WMLDXEAASA-N 1 1 358.442 2.482 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000127744019 544011602 /nfs/dbraw/zinc/01/16/02/544011602.db2.gz GMMROPCAQOHUKX-CQSZACIVSA-N 1 1 363.462 2.445 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127838427 544016108 /nfs/dbraw/zinc/01/61/08/544016108.db2.gz HERLRHFTXDIVKN-AWEZNQCLSA-N 1 1 350.419 2.444 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000127908624 544021194 /nfs/dbraw/zinc/02/11/94/544021194.db2.gz YVYRJYBDCZXAJZ-HUUCEWRRSA-N 1 1 367.833 2.160 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000127908624 544021197 /nfs/dbraw/zinc/02/11/97/544021197.db2.gz YVYRJYBDCZXAJZ-HUUCEWRRSA-N 1 1 367.833 2.160 20 5 FEBDMO NC(=O)[C@H]1CCCN(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000127961011 544024773 /nfs/dbraw/zinc/02/47/73/544024773.db2.gz YTMPGJXPEXHOJL-ROUUACIJSA-N 1 1 374.485 2.093 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](C2CC2)CC1 ZINC000128616807 544063080 /nfs/dbraw/zinc/06/30/80/544063080.db2.gz RMRHCHYIIGDSSY-UHFFFAOYSA-N 1 1 368.231 2.206 20 5 FEBDMO C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938270 544081996 /nfs/dbraw/zinc/08/19/96/544081996.db2.gz KVEAIWADEZBDKG-DYVFJYSZSA-N 1 1 364.421 2.479 20 5 FEBDMO C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938270 544081999 /nfs/dbraw/zinc/08/19/99/544081999.db2.gz KVEAIWADEZBDKG-DYVFJYSZSA-N 1 1 364.421 2.479 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938270 544082002 /nfs/dbraw/zinc/08/20/02/544082002.db2.gz KVEAIWADEZBDKG-DYVFJYSZSA-N 1 1 364.421 2.479 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938270 544082005 /nfs/dbraw/zinc/08/20/05/544082005.db2.gz KVEAIWADEZBDKG-DYVFJYSZSA-N 1 1 364.421 2.479 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000129963886 544133879 /nfs/dbraw/zinc/13/38/79/544133879.db2.gz VCRZEQCLMYALPD-GXTWGEPZSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000129963886 544133881 /nfs/dbraw/zinc/13/38/81/544133881.db2.gz VCRZEQCLMYALPD-GXTWGEPZSA-N 1 1 363.805 2.157 20 5 FEBDMO CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000130588811 544157007 /nfs/dbraw/zinc/15/70/07/544157007.db2.gz JPUYQUIWFPBLQI-GFCCVEGCSA-N 1 1 373.251 2.299 20 5 FEBDMO CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000130588811 544157008 /nfs/dbraw/zinc/15/70/08/544157008.db2.gz JPUYQUIWFPBLQI-GFCCVEGCSA-N 1 1 373.251 2.299 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000132477764 544232487 /nfs/dbraw/zinc/23/24/87/544232487.db2.gz DTKZYIBVMZABBO-ZANVPECISA-N 1 1 361.320 2.063 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000132477764 544232490 /nfs/dbraw/zinc/23/24/90/544232490.db2.gz DTKZYIBVMZABBO-ZANVPECISA-N 1 1 361.320 2.063 20 5 FEBDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134503923 544310597 /nfs/dbraw/zinc/31/05/97/544310597.db2.gz SKQZAVXUVHBXMT-QGZVFWFLSA-N 1 1 357.410 2.467 20 5 FEBDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134503923 544310599 /nfs/dbraw/zinc/31/05/99/544310599.db2.gz SKQZAVXUVHBXMT-QGZVFWFLSA-N 1 1 357.410 2.467 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000134056457 544292839 /nfs/dbraw/zinc/29/28/39/544292839.db2.gz OOECSBMQLUCKKB-LBPRGKRZSA-N 1 1 359.423 2.053 20 5 FEBDMO CCOc1ccnc(N2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000135779825 544360865 /nfs/dbraw/zinc/36/08/65/544360865.db2.gz FQSZFNOUMDAPPP-UHFFFAOYSA-N 1 1 357.414 2.496 20 5 FEBDMO CCOc1ccnc(N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000135779825 544360866 /nfs/dbraw/zinc/36/08/66/544360866.db2.gz FQSZFNOUMDAPPP-UHFFFAOYSA-N 1 1 357.414 2.496 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000137326182 544388851 /nfs/dbraw/zinc/38/88/51/544388851.db2.gz WRNPRHRPYSYQBY-ZDUSSCGKSA-N 1 1 367.471 2.093 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137502452 544391252 /nfs/dbraw/zinc/39/12/52/544391252.db2.gz CPHDPUYWFPKIOT-WFASDCNBSA-N 1 1 357.414 2.030 20 5 FEBDMO COc1ccccc1[C@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000137051460 544384005 /nfs/dbraw/zinc/38/40/05/544384005.db2.gz BRJPCVQODUKTEV-AWEZNQCLSA-N 1 1 373.413 2.284 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000146621711 544440212 /nfs/dbraw/zinc/44/02/12/544440212.db2.gz BTSAUKXLQVWKDA-GFCCVEGCSA-N 1 1 359.835 2.107 20 5 FEBDMO COc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000150821795 544475589 /nfs/dbraw/zinc/47/55/89/544475589.db2.gz AMLXQMRAKVEKCC-ZDUSSCGKSA-N 1 1 371.459 2.098 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1C ZINC000152874420 544705746 /nfs/dbraw/zinc/70/57/46/544705746.db2.gz CWPYYBONVCZOQR-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000152883546 544706546 /nfs/dbraw/zinc/70/65/46/544706546.db2.gz KWLFVIICBURVSJ-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153942542 544842716 /nfs/dbraw/zinc/84/27/16/544842716.db2.gz YIETZHSOWMXRTK-RDTXWAMCSA-N 1 1 359.426 2.449 20 5 FEBDMO COC(=O)c1cc(C)nc(NCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000553317602 674252702 /nfs/dbraw/zinc/25/27/02/674252702.db2.gz BSJKLMDCXWMYOF-UHFFFAOYSA-N 1 1 350.419 2.761 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000184885960 327887472 /nfs/dbraw/zinc/88/74/72/327887472.db2.gz OEMGUYREQASWQP-IAGOWNOFSA-N 1 1 363.458 2.079 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188624910 328099746 /nfs/dbraw/zinc/09/97/46/328099746.db2.gz FMZOXCGWYHWLBQ-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188624910 328099747 /nfs/dbraw/zinc/09/97/47/328099747.db2.gz FMZOXCGWYHWLBQ-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188825575 328112916 /nfs/dbraw/zinc/11/29/16/328112916.db2.gz HZIUQRHSGCBHCK-ZDUSSCGKSA-N 1 1 350.419 2.212 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000190065573 328185449 /nfs/dbraw/zinc/18/54/49/328185449.db2.gz PKLWPCUGSJTKSE-OLZOCXBDSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000190065573 328185450 /nfs/dbraw/zinc/18/54/50/328185450.db2.gz PKLWPCUGSJTKSE-OLZOCXBDSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000191408604 328264233 /nfs/dbraw/zinc/26/42/33/328264233.db2.gz MUERUWVLSIBFCA-UONOGXRCSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000191408604 328264235 /nfs/dbraw/zinc/26/42/35/328264235.db2.gz MUERUWVLSIBFCA-UONOGXRCSA-N 1 1 350.419 2.130 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000191725483 328278843 /nfs/dbraw/zinc/27/88/43/328278843.db2.gz PBEBKFKJHKWLMN-PWSUYJOCSA-N 1 1 360.357 2.308 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000192509593 328322922 /nfs/dbraw/zinc/32/29/22/328322922.db2.gz IQZBECASIKRGNF-TXEJJXNPSA-N 1 1 368.231 2.299 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000192837631 328342632 /nfs/dbraw/zinc/34/26/32/328342632.db2.gz YLNRZEDYPFZFGJ-AWEZNQCLSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000192837631 328342633 /nfs/dbraw/zinc/34/26/33/328342633.db2.gz YLNRZEDYPFZFGJ-AWEZNQCLSA-N 1 1 365.430 2.176 20 5 FEBDMO CC[N@@H+]1CCc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2C1 ZINC000021294907 324395727 /nfs/dbraw/zinc/39/57/27/324395727.db2.gz UQWCHQLNYIJFTB-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO CC[N@H+]1CCc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2C1 ZINC000021294907 324395732 /nfs/dbraw/zinc/39/57/32/324395732.db2.gz UQWCHQLNYIJFTB-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@](O)(C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000081048257 325157103 /nfs/dbraw/zinc/15/71/03/325157103.db2.gz BQPDEEVJLLLSCG-AWEZNQCLSA-N 1 1 361.320 2.231 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCN(c2ccccc2)C1 ZINC000090551637 325362608 /nfs/dbraw/zinc/36/26/08/325362608.db2.gz VUAIWEGUZSXFDD-QGZVFWFLSA-N 1 1 356.426 2.357 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000090552058 325363268 /nfs/dbraw/zinc/36/32/68/325363268.db2.gz ZBARNFQFJLXMRZ-GOSISDBHSA-N 1 1 357.410 2.090 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000091679922 325389389 /nfs/dbraw/zinc/38/93/89/325389389.db2.gz CKOIVOGCIPBVGV-MRXNPFEDSA-N 1 1 361.442 2.314 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000109793984 325677688 /nfs/dbraw/zinc/67/76/88/325677688.db2.gz ZWDVQAFBJKREED-ZDUSSCGKSA-N 1 1 373.413 2.464 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116252613 326002377 /nfs/dbraw/zinc/00/23/77/326002377.db2.gz TZYRDPOQEQBJHN-UGSOOPFHSA-N 1 1 369.425 2.334 20 5 FEBDMO Cc1c(CC(=O)N2CCCC[C@H](N3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000119041593 326120884 /nfs/dbraw/zinc/12/08/84/326120884.db2.gz YAEOSXJKFQWFLW-SFHVURJKSA-N 1 1 374.485 2.074 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000119185273 326135783 /nfs/dbraw/zinc/13/57/83/326135783.db2.gz XJCIMRHXUGJJAB-HNNXBMFYSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000119185273 326135784 /nfs/dbraw/zinc/13/57/84/326135784.db2.gz XJCIMRHXUGJJAB-HNNXBMFYSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000119966901 326216880 /nfs/dbraw/zinc/21/68/80/326216880.db2.gz PHVUELXCPPMQHI-VUCTXSBTSA-N 1 1 363.414 2.287 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119979147 326217973 /nfs/dbraw/zinc/21/79/73/326217973.db2.gz VKRCSXVUJWDCIO-AWEZNQCLSA-N 1 1 350.419 2.444 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCC1CCOCC1 ZINC000120407475 326255993 /nfs/dbraw/zinc/25/59/93/326255993.db2.gz HAAWGYYRUDHBJF-UHFFFAOYSA-N 1 1 351.403 2.290 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000120669639 326277147 /nfs/dbraw/zinc/27/71/47/326277147.db2.gz WVKVRQKQNUNRNU-GHMZBOCLSA-N 1 1 368.821 2.128 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000122367436 326394310 /nfs/dbraw/zinc/39/43/10/326394310.db2.gz KHYTWMHOSQBGKA-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122450526 326397193 /nfs/dbraw/zinc/39/71/93/326397193.db2.gz WYANPQNHHCETDT-YPMHNXCESA-N 1 1 373.862 2.353 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122473681 326398117 /nfs/dbraw/zinc/39/81/17/326398117.db2.gz PRHJGLOBTPZFEA-AAEUAGOBSA-N 1 1 373.862 2.353 20 5 FEBDMO COCCCOC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000122560988 326401488 /nfs/dbraw/zinc/40/14/88/326401488.db2.gz ZNZCXGVQUDRKIO-CQSZACIVSA-N 1 1 365.430 2.439 20 5 FEBDMO COc1cc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000134026852 326618673 /nfs/dbraw/zinc/61/86/73/326618673.db2.gz CQKZTKQDWJKEAQ-STQMWFEESA-N 1 1 365.430 2.221 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000171399416 327136938 /nfs/dbraw/zinc/13/69/38/327136938.db2.gz VUXIQUQAADPSEO-AWEZNQCLSA-N 1 1 357.414 2.275 20 5 FEBDMO CCc1n[nH]c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171399928 327136965 /nfs/dbraw/zinc/13/69/65/327136965.db2.gz BLAPJGCUXCDEGS-BETUJISGSA-N 1 1 351.451 2.368 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171902794 327169089 /nfs/dbraw/zinc/16/90/89/327169089.db2.gz ATUZIMBBESNLPN-XJKSGUPXSA-N 1 1 350.419 2.066 20 5 FEBDMO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000172358691 327197833 /nfs/dbraw/zinc/19/78/33/327197833.db2.gz ZPPGYRUFXOUIFW-MAUKXSAKSA-N 1 1 369.425 2.306 20 5 FEBDMO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000172358691 327197834 /nfs/dbraw/zinc/19/78/34/327197834.db2.gz ZPPGYRUFXOUIFW-MAUKXSAKSA-N 1 1 369.425 2.306 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000172558361 327208284 /nfs/dbraw/zinc/20/82/84/327208284.db2.gz COXVTXGWCLCYEN-OAHLLOKOSA-N 1 1 350.419 2.085 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172831258 327221193 /nfs/dbraw/zinc/22/11/93/327221193.db2.gz PBKVKQKUJJPEJZ-CYBMUJFWSA-N 1 1 372.425 2.383 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000173243039 327243590 /nfs/dbraw/zinc/24/35/90/327243590.db2.gz GGFXVZRTQNGLRK-WFASDCNBSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1c(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000173292336 327247616 /nfs/dbraw/zinc/24/76/16/327247616.db2.gz GYGLZDGDOICBSP-INIZCTEOSA-N 1 1 360.458 2.145 20 5 FEBDMO C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000173685113 327276778 /nfs/dbraw/zinc/27/67/78/327276778.db2.gz ZMAWSPILFPVGSO-XGUBFFRZSA-N 1 1 361.446 2.264 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000175395631 327390488 /nfs/dbraw/zinc/39/04/88/327390488.db2.gz AGKRJIKYTSTEDC-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cn3)c2)C1 ZINC000264520332 329032195 /nfs/dbraw/zinc/03/21/95/329032195.db2.gz ZWYUPHKXLGTSOB-MRXNPFEDSA-N 1 1 369.425 2.299 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000265099275 329090984 /nfs/dbraw/zinc/09/09/84/329090984.db2.gz XEBJZEZVQDSSPV-KBPBESRZSA-N 1 1 361.446 2.180 20 5 FEBDMO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000265953120 329176100 /nfs/dbraw/zinc/17/61/00/329176100.db2.gz NENTZODIZJNCQV-GFCCVEGCSA-N 1 1 351.403 2.026 20 5 FEBDMO COc1ccc2cc(C[N@@H+](C)C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)ccc2c1 ZINC000266454073 329224539 /nfs/dbraw/zinc/22/45/39/329224539.db2.gz OXORMEQHACCWTD-GOSISDBHSA-N 1 1 370.409 2.446 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178561 329393898 /nfs/dbraw/zinc/39/38/98/329393898.db2.gz KYGINXLRIXOSDC-BBRMVZONSA-N 1 1 358.442 2.408 20 5 FEBDMO COc1ccc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000275135852 330014200 /nfs/dbraw/zinc/01/42/00/330014200.db2.gz SXHQJMIMJVKMNG-LLVKDONJSA-N 1 1 361.320 2.104 20 5 FEBDMO CS[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1N(C)C ZINC000275662740 330075628 /nfs/dbraw/zinc/07/56/28/330075628.db2.gz WBOGKNWGEXTDQP-CABCVRRESA-N 1 1 370.450 2.040 20 5 FEBDMO CS[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1N(C)C ZINC000275662740 330075629 /nfs/dbraw/zinc/07/56/29/330075629.db2.gz WBOGKNWGEXTDQP-CABCVRRESA-N 1 1 370.450 2.040 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000276274740 330136046 /nfs/dbraw/zinc/13/60/46/330136046.db2.gz DIGBUGDXRWGTDX-GFCCVEGCSA-N 1 1 351.403 2.167 20 5 FEBDMO C[N@H+](CCCCO)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000276338654 330142419 /nfs/dbraw/zinc/14/24/19/330142419.db2.gz GTCWSBAXCDKEQX-UHFFFAOYSA-N 1 1 364.427 2.361 20 5 FEBDMO C[N@@H+](CCCCO)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000276338654 330142421 /nfs/dbraw/zinc/14/24/21/330142421.db2.gz GTCWSBAXCDKEQX-UHFFFAOYSA-N 1 1 364.427 2.361 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CC1CCOCC1 ZINC000155973593 545588080 /nfs/dbraw/zinc/58/80/80/545588080.db2.gz VYXWXUMXIVQWKH-GFCCVEGCSA-N 1 1 351.403 2.289 20 5 FEBDMO Cc1ccc(NCCCNC(=O)C[N@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000156274125 545613404 /nfs/dbraw/zinc/61/34/04/545613404.db2.gz KQHMSGDCYOJILM-AWEZNQCLSA-N 1 1 366.487 2.259 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000477629126 561149636 /nfs/dbraw/zinc/14/96/36/561149636.db2.gz RQSICEVJGLDLNR-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159055378 545917928 /nfs/dbraw/zinc/91/79/28/545917928.db2.gz VXGGNABISFSZOJ-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO Cc1cccc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000159154496 545927384 /nfs/dbraw/zinc/92/73/84/545927384.db2.gz GPANRKSEXMJSAQ-QGZVFWFLSA-N 1 1 369.421 2.052 20 5 FEBDMO CC[N@@H+](CCc1nccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000159182380 545929525 /nfs/dbraw/zinc/92/95/25/545929525.db2.gz OBECQRSJPNIHGM-CQSZACIVSA-N 1 1 351.428 2.356 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159444445 545953962 /nfs/dbraw/zinc/95/39/62/545953962.db2.gz KSVRFLVIDRCWRI-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000159801425 545982093 /nfs/dbraw/zinc/98/20/93/545982093.db2.gz CNEUTTJKWHGEHS-INIZCTEOSA-N 1 1 371.393 2.365 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000161725920 546133805 /nfs/dbraw/zinc/13/38/05/546133805.db2.gz UHLYYAZAWYYDKZ-FZMZJTMJSA-N 1 1 353.444 2.156 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000161725920 546133807 /nfs/dbraw/zinc/13/38/07/546133807.db2.gz UHLYYAZAWYYDKZ-FZMZJTMJSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000479798906 561197377 /nfs/dbraw/zinc/19/73/77/561197377.db2.gz AOGXCENADMQMTI-ZDUSSCGKSA-N 1 1 365.405 2.497 20 5 FEBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@@H+]1CCc2sccc2C1 ZINC000175945973 546376907 /nfs/dbraw/zinc/37/69/07/546376907.db2.gz OMLNWLCQKHBVFK-LLVKDONJSA-N 1 1 360.439 2.415 20 5 FEBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCc2sccc2C1 ZINC000175945973 546376910 /nfs/dbraw/zinc/37/69/10/546376910.db2.gz OMLNWLCQKHBVFK-LLVKDONJSA-N 1 1 360.439 2.415 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000176219052 546420988 /nfs/dbraw/zinc/42/09/88/546420988.db2.gz LXWJFTQXYKGLTJ-UHFFFAOYSA-N 1 1 356.810 2.035 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000176668128 546474827 /nfs/dbraw/zinc/47/48/27/546474827.db2.gz OLBLZSUTQBKYOL-NSHDSACASA-N 1 1 373.862 2.319 20 5 FEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000177096591 546543943 /nfs/dbraw/zinc/54/39/43/546543943.db2.gz ZKRKKNPZRWQYJW-LBPRGKRZSA-N 1 1 356.810 2.169 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[N@H+]1C1CC1 ZINC000177094527 546544112 /nfs/dbraw/zinc/54/41/12/546544112.db2.gz NIALHKMTZBCBHD-GXTWGEPZSA-N 1 1 355.398 2.136 20 5 FEBDMO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000177445256 546620262 /nfs/dbraw/zinc/62/02/62/546620262.db2.gz VZEOXUJRTOPKSL-UHFFFAOYSA-N 1 1 361.851 2.104 20 5 FEBDMO COCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000179344709 546936022 /nfs/dbraw/zinc/93/60/22/546936022.db2.gz MHQNYBSQONXWMH-AWEZNQCLSA-N 1 1 351.403 2.051 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccco1 ZINC000180533506 547126250 /nfs/dbraw/zinc/12/62/50/547126250.db2.gz SANKUKVEXUZFLU-DOTOQJQBSA-N 1 1 372.381 2.100 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000180723477 547167373 /nfs/dbraw/zinc/16/73/73/547167373.db2.gz AWRMWZBBEGXOEX-GOSISDBHSA-N 1 1 370.409 2.483 20 5 FEBDMO C[N@@H+](CC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000482881536 561262124 /nfs/dbraw/zinc/26/21/24/561262124.db2.gz NYPPBMYDWJHGRB-CYBMUJFWSA-N 1 1 357.863 2.344 20 5 FEBDMO COc1ccc(OCC[N@@H+](CCO)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000483217086 561271001 /nfs/dbraw/zinc/27/10/01/561271001.db2.gz MJBZPKYMACNEPB-UHFFFAOYSA-N 1 1 350.371 2.378 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182809488 547556190 /nfs/dbraw/zinc/55/61/90/547556190.db2.gz MYOWYHGWOFAUOX-UHFFFAOYSA-N 1 1 356.810 2.035 20 5 FEBDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000484294173 561295771 /nfs/dbraw/zinc/29/57/71/561295771.db2.gz ARUAELLWUDGQBO-IBGZPJMESA-N 1 1 372.425 2.432 20 5 FEBDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000484294173 561295772 /nfs/dbraw/zinc/29/57/72/561295772.db2.gz ARUAELLWUDGQBO-IBGZPJMESA-N 1 1 372.425 2.432 20 5 FEBDMO C[S@@](=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183073797 547596834 /nfs/dbraw/zinc/59/68/34/547596834.db2.gz SDNZYLVVOIXDTA-ODCWNRFASA-N 1 1 361.423 2.243 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000183147561 547610063 /nfs/dbraw/zinc/61/00/63/547610063.db2.gz LSSXDMDXXVFDCZ-OCCSQVGLSA-N 1 1 371.434 2.147 20 5 FEBDMO Cc1c(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000183442410 547660357 /nfs/dbraw/zinc/66/03/57/547660357.db2.gz QEAGRZIPURMJAW-KRWDZBQOSA-N 1 1 369.421 2.400 20 5 FEBDMO CCc1ccc(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184208500 547786773 /nfs/dbraw/zinc/78/67/73/547786773.db2.gz DEKRAJNQWKQTOS-UHFFFAOYSA-N 1 1 362.474 2.303 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258388 547795928 /nfs/dbraw/zinc/79/59/28/547795928.db2.gz UCTDNCNQZFKUSH-GFCCVEGCSA-N 1 1 353.394 2.481 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184258388 547795930 /nfs/dbraw/zinc/79/59/30/547795930.db2.gz UCTDNCNQZFKUSH-GFCCVEGCSA-N 1 1 353.394 2.481 20 5 FEBDMO COc1cccc(-c2noc([C@@H](C)[NH2+]CCn3cc([N+](=O)[O-])cn3)n2)c1 ZINC000185117507 547935783 /nfs/dbraw/zinc/93/57/83/547935783.db2.gz ZIAPXTZSUHCMJH-LLVKDONJSA-N 1 1 358.358 2.201 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000185436390 547984327 /nfs/dbraw/zinc/98/43/27/547984327.db2.gz NHRIYRMJNCISJE-UHFFFAOYSA-N 1 1 363.462 2.441 20 5 FEBDMO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485561257 561322530 /nfs/dbraw/zinc/32/25/30/561322530.db2.gz SMBLNVCHBNJQCA-CMPLNLGQSA-N 1 1 374.363 2.339 20 5 FEBDMO CCOc1cc(C(=O)N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000186800113 548196291 /nfs/dbraw/zinc/19/62/91/548196291.db2.gz PWGFROHYWHCURV-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000193950567 548411798 /nfs/dbraw/zinc/41/17/98/548411798.db2.gz INGDZCJFYGSANM-CQSZACIVSA-N 1 1 362.386 2.299 20 5 FEBDMO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245442375 548921520 /nfs/dbraw/zinc/92/15/20/548921520.db2.gz HZVSANBWSAYJDT-LSDHHAIUSA-N 1 1 363.462 2.369 20 5 FEBDMO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245442375 548921523 /nfs/dbraw/zinc/92/15/23/548921523.db2.gz HZVSANBWSAYJDT-LSDHHAIUSA-N 1 1 363.462 2.369 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000488046104 561382076 /nfs/dbraw/zinc/38/20/76/561382076.db2.gz UPQFNXUXXVBJGT-CJNGLKHVSA-N 1 1 364.446 2.202 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000246038033 549039827 /nfs/dbraw/zinc/03/98/27/549039827.db2.gz AZRWXCJAUOXMSN-DZGCQCFKSA-N 1 1 355.460 2.254 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246065313 549044170 /nfs/dbraw/zinc/04/41/70/549044170.db2.gz DPKORCGBQZHCGC-AAEUAGOBSA-N 1 1 373.862 2.496 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246430661 549131023 /nfs/dbraw/zinc/13/10/23/549131023.db2.gz AZBMWQGLQFFYJX-HEHGZKQESA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246430661 549131026 /nfs/dbraw/zinc/13/10/26/549131026.db2.gz AZBMWQGLQFFYJX-HEHGZKQESA-N 1 1 363.414 2.431 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246959557 549251414 /nfs/dbraw/zinc/25/14/14/549251414.db2.gz INNSLAKYICPIRK-GOEBONIOSA-N 1 1 367.471 2.316 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000247094862 549283077 /nfs/dbraw/zinc/28/30/77/549283077.db2.gz PRHJGLOBTPZFEA-WCQYABFASA-N 1 1 373.862 2.353 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247161351 549292877 /nfs/dbraw/zinc/29/28/77/549292877.db2.gz UFMGSBOTGSGJTC-KBPBESRZSA-N 1 1 353.444 2.008 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000247649160 549369218 /nfs/dbraw/zinc/36/92/18/549369218.db2.gz PCIOPJQWRDBUGC-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)c2[n-]ncc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000247816515 549384459 /nfs/dbraw/zinc/38/44/59/549384459.db2.gz WUUBUKJNOCODHP-SMDDNHRTSA-N 1 1 367.768 2.286 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2[n-]ncc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000247816515 549384462 /nfs/dbraw/zinc/38/44/62/549384462.db2.gz WUUBUKJNOCODHP-SMDDNHRTSA-N 1 1 367.768 2.286 20 5 FEBDMO CO[C@]1(C)C[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000248461728 549445270 /nfs/dbraw/zinc/44/52/70/549445270.db2.gz PJQJEJLIHGQGQX-RPVQJOFSSA-N 1 1 352.431 2.470 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000248936204 549529212 /nfs/dbraw/zinc/52/92/12/549529212.db2.gz YIVKLQGCJJASKI-XJKSGUPXSA-N 1 1 354.410 2.427 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000249340689 549582855 /nfs/dbraw/zinc/58/28/55/549582855.db2.gz DGXUFSHFSXETKN-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO CNC(=O)C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000263715715 549924686 /nfs/dbraw/zinc/92/46/86/549924686.db2.gz VCHBLMBWEAAMHB-UHFFFAOYSA-N 1 1 359.382 2.018 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000266074194 550016628 /nfs/dbraw/zinc/01/66/28/550016628.db2.gz DHOSCRQNJWZJHX-INIZCTEOSA-N 1 1 373.413 2.163 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000266074194 550016630 /nfs/dbraw/zinc/01/66/30/550016630.db2.gz DHOSCRQNJWZJHX-INIZCTEOSA-N 1 1 373.413 2.163 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC[C@H]21 ZINC000269049941 550149568 /nfs/dbraw/zinc/14/95/68/550149568.db2.gz XOFWPPBKBJETKT-NVXWUHKLSA-N 1 1 356.426 2.492 20 5 FEBDMO CCOc1cc(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000493550727 561456799 /nfs/dbraw/zinc/45/67/99/561456799.db2.gz RMRUUUBDIUBTBU-AWEZNQCLSA-N 1 1 351.447 2.271 20 5 FEBDMO CS[C@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1N(C)C ZINC000270637721 550291809 /nfs/dbraw/zinc/29/18/09/550291809.db2.gz IFRPFJXFYYHMTH-CVEARBPZSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1[NH+](C)C ZINC000270637721 550291810 /nfs/dbraw/zinc/29/18/10/550291810.db2.gz IFRPFJXFYYHMTH-CVEARBPZSA-N 1 1 366.487 2.209 20 5 FEBDMO COc1cc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000271318274 550364020 /nfs/dbraw/zinc/36/40/20/550364020.db2.gz YETYCMWSYWWOQR-LRDDRELGSA-N 1 1 354.428 2.318 20 5 FEBDMO COc1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000271318274 550364021 /nfs/dbraw/zinc/36/40/21/550364021.db2.gz YETYCMWSYWWOQR-LRDDRELGSA-N 1 1 354.428 2.318 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272324368 550437726 /nfs/dbraw/zinc/43/77/26/550437726.db2.gz MIJWYXFLTDCPNT-RHSMWYFYSA-N 1 1 371.441 2.127 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272324366 550437873 /nfs/dbraw/zinc/43/78/73/550437873.db2.gz MIJWYXFLTDCPNT-PBHICJAKSA-N 1 1 371.441 2.127 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272698256 550465450 /nfs/dbraw/zinc/46/54/50/550465450.db2.gz YEYNZGRDEPRWBH-KDOFPFPSSA-N 1 1 358.442 2.361 20 5 FEBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)sc2C1 ZINC000273449329 550499315 /nfs/dbraw/zinc/49/93/15/550499315.db2.gz HBTBKYGYWUQQCB-UHFFFAOYSA-N 1 1 363.399 2.171 20 5 FEBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)sc2C1 ZINC000273449329 550499317 /nfs/dbraw/zinc/49/93/17/550499317.db2.gz HBTBKYGYWUQQCB-UHFFFAOYSA-N 1 1 363.399 2.171 20 5 FEBDMO C[C@@H](c1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1)[NH+]1CCOCC1 ZINC000274978951 550568897 /nfs/dbraw/zinc/56/88/97/550568897.db2.gz LHNNIDDCNRGROF-LBPRGKRZSA-N 1 1 372.381 2.341 20 5 FEBDMO COC(=O)c1cnc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000276836084 550601456 /nfs/dbraw/zinc/60/14/56/550601456.db2.gz VTPZDADCTXEEQQ-DOMZBBRYSA-N 1 1 360.414 2.230 20 5 FEBDMO CC[N@@H+](CCNC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)C1CC1 ZINC000277200295 550642752 /nfs/dbraw/zinc/64/27/52/550642752.db2.gz LNLUOTQXVALVRS-UHFFFAOYSA-N 1 1 364.402 2.296 20 5 FEBDMO COc1cc(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc([N+](=O)[O-])c1C ZINC000277567315 550685538 /nfs/dbraw/zinc/68/55/38/550685538.db2.gz NREQPOFVJQVFKS-ZDUSSCGKSA-N 1 1 365.430 2.143 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277618885 550692534 /nfs/dbraw/zinc/69/25/34/550692534.db2.gz WIDUICKPUPGFGO-HNNXBMFYSA-N 1 1 362.430 2.420 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278009419 550738362 /nfs/dbraw/zinc/73/83/62/550738362.db2.gz IHNSERZFHZNXJE-UHFFFAOYSA-N 1 1 371.401 2.256 20 5 FEBDMO Cc1cc([N+](=O)[O-])cn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1=O ZINC000278518634 550794499 /nfs/dbraw/zinc/79/44/99/550794499.db2.gz GCIWXYXJBOLCOW-SFHVURJKSA-N 1 1 357.410 2.356 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000278572154 550800283 /nfs/dbraw/zinc/80/02/83/550800283.db2.gz NRIQKUJPFPTCGI-KGLIPLIRSA-N 1 1 350.419 2.130 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000279844703 550935227 /nfs/dbraw/zinc/93/52/27/550935227.db2.gz AULNHBGGTJOLLP-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@](C)(O)CC1 ZINC000280153895 550965633 /nfs/dbraw/zinc/96/56/33/550965633.db2.gz RRQMFBVJHXXGEC-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000280546992 551006232 /nfs/dbraw/zinc/00/62/32/551006232.db2.gz QCXDORJIOKNBJD-QGZVFWFLSA-N 1 1 370.409 2.390 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000280546992 551006234 /nfs/dbraw/zinc/00/62/34/551006234.db2.gz QCXDORJIOKNBJD-QGZVFWFLSA-N 1 1 370.409 2.390 20 5 FEBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000280604839 551012654 /nfs/dbraw/zinc/01/26/54/551012654.db2.gz VKAHKCXBVXROAV-SFHVURJKSA-N 1 1 363.414 2.193 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000280717326 551024700 /nfs/dbraw/zinc/02/47/00/551024700.db2.gz JXKYAXSHOITCNZ-UHIISALHSA-N 1 1 360.370 2.447 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000281347304 551087011 /nfs/dbraw/zinc/08/70/11/551087011.db2.gz WWWZVYIVJAOYQB-CYBMUJFWSA-N 1 1 371.235 2.109 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000497514253 561502821 /nfs/dbraw/zinc/50/28/21/561502821.db2.gz BRIAMIOYYIQBRF-UONOGXRCSA-N 1 1 371.441 2.478 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000497514253 561502822 /nfs/dbraw/zinc/50/28/22/561502822.db2.gz BRIAMIOYYIQBRF-UONOGXRCSA-N 1 1 371.441 2.478 20 5 FEBDMO O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1CC[NH+](C2CC2)CC1 ZINC000282674377 551258350 /nfs/dbraw/zinc/25/83/50/551258350.db2.gz ASKWBJMZOBEPON-UHFFFAOYSA-N 1 1 356.386 2.193 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498227589 561519343 /nfs/dbraw/zinc/51/93/43/561519343.db2.gz LBQWSPQGOPSQMG-QWHCGFSZSA-N 1 1 350.419 2.228 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285330853 551739530 /nfs/dbraw/zinc/73/95/30/551739530.db2.gz SEVCTGAXZSJFPN-IRXDYDNUSA-N 1 1 361.442 2.437 20 5 FEBDMO CCOC1CC2(C1)CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000285418658 551753420 /nfs/dbraw/zinc/75/34/20/551753420.db2.gz GLGYRXRFIOMPNK-KSTDHSDQSA-N 1 1 350.415 2.226 20 5 FEBDMO CCN1CC[NH+](CCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286151386 551854777 /nfs/dbraw/zinc/85/47/77/551854777.db2.gz ODERWNIIELVFQB-UHFFFAOYSA-N 1 1 350.448 2.039 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](Cc3cccnc3)CC2)s1 ZINC000286251055 551865851 /nfs/dbraw/zinc/86/58/51/551865851.db2.gz VGNZTRSZJGOWJV-UHFFFAOYSA-N 1 1 356.411 2.317 20 5 FEBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000286573157 551901495 /nfs/dbraw/zinc/90/14/95/551901495.db2.gz URAAAEXLBLGCPY-CQSZACIVSA-N 1 1 365.430 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287439609 552004333 /nfs/dbraw/zinc/00/43/33/552004333.db2.gz QAAOWADFQNKPSW-OAHLLOKOSA-N 1 1 374.441 2.176 20 5 FEBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500096291 561565839 /nfs/dbraw/zinc/56/58/39/561565839.db2.gz IHAGWESNHXDTCQ-INIZCTEOSA-N 1 1 362.430 2.256 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1[C@H]1CCCO1 ZINC000289377688 552310823 /nfs/dbraw/zinc/31/08/23/552310823.db2.gz BICRQUZIQALIJG-USXIJHARSA-N 1 1 350.415 2.224 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000289402836 552315486 /nfs/dbraw/zinc/31/54/86/552315486.db2.gz AENISXISCXDCDC-KBAYOESNSA-N 1 1 362.426 2.368 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000289852661 552389256 /nfs/dbraw/zinc/38/92/56/552389256.db2.gz QMYNWXFRWRCDGN-ZDUSSCGKSA-N 1 1 364.446 2.466 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500868770 561584753 /nfs/dbraw/zinc/58/47/53/561584753.db2.gz ZEHHXOAHBLUVRU-CJNGLKHVSA-N 1 1 357.414 2.051 20 5 FEBDMO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290914116 552560673 /nfs/dbraw/zinc/56/06/73/552560673.db2.gz HHHOZPVECFCWIY-UKRRQHHQSA-N 1 1 369.425 2.411 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291775125 552660412 /nfs/dbraw/zinc/66/04/12/552660412.db2.gz LZENOHSQJSHWCI-CQSZACIVSA-N 1 1 359.386 2.076 20 5 FEBDMO O=C(CC[N@H+]1CCC(F)(F)[C@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000291847145 552667723 /nfs/dbraw/zinc/66/77/23/552667723.db2.gz OWXVIZDJMHTOAI-JTQLQIEISA-N 1 1 361.320 2.012 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292097328 552693657 /nfs/dbraw/zinc/69/36/57/552693657.db2.gz TZUOIGOOILZVCG-GFCCVEGCSA-N 1 1 371.434 2.229 20 5 FEBDMO COc1cc(C[NH2+][C@@H](C(N)=O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000292168726 552700508 /nfs/dbraw/zinc/70/05/08/552700508.db2.gz LPFCJRRHSHDMTJ-PIGZYNQJSA-N 1 1 361.373 2.490 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000292171203 552701063 /nfs/dbraw/zinc/70/10/63/552701063.db2.gz PSAPJTMDYFXGQH-WBVHZDCISA-N 1 1 350.415 2.083 20 5 FEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC000292323034 552715974 /nfs/dbraw/zinc/71/59/74/552715974.db2.gz OVEJTFIHBLIYOC-ZDUSSCGKSA-N 1 1 367.471 2.309 20 5 FEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC000292323034 552715976 /nfs/dbraw/zinc/71/59/76/552715976.db2.gz OVEJTFIHBLIYOC-ZDUSSCGKSA-N 1 1 367.471 2.309 20 5 FEBDMO CSCc1cnc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000293560601 552835404 /nfs/dbraw/zinc/83/54/04/552835404.db2.gz MDXGVWQUWJHELD-UKRRQHHQSA-N 1 1 369.468 2.098 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(SC)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000293771579 552855145 /nfs/dbraw/zinc/85/51/45/552855145.db2.gz AVBRPZRVTQOZMJ-LSDHHAIUSA-N 1 1 365.455 2.252 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000293881508 552864734 /nfs/dbraw/zinc/86/47/34/552864734.db2.gz FVJJCUHXVNEGCF-IBGZPJMESA-N 1 1 356.426 2.494 20 5 FEBDMO CCOc1cc(C[N@H+]2CC[C@](COC)(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000295060074 552955251 /nfs/dbraw/zinc/95/52/51/552955251.db2.gz BSROLVZQLQZIHR-KRWDZBQOSA-N 1 1 352.387 2.005 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000296049334 553095877 /nfs/dbraw/zinc/09/58/77/553095877.db2.gz NOHMYDHUEKGPNE-CQSZACIVSA-N 1 1 365.430 2.415 20 5 FEBDMO CCOc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCC ZINC000296294552 553136369 /nfs/dbraw/zinc/13/63/69/553136369.db2.gz JVDLFSARIAAWQD-LBPRGKRZSA-N 1 1 366.418 2.465 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296855450 553221124 /nfs/dbraw/zinc/22/11/24/553221124.db2.gz TYZXNFCRMFRVQO-QWHCGFSZSA-N 1 1 353.419 2.473 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000298955919 553494952 /nfs/dbraw/zinc/49/49/52/553494952.db2.gz DLGFSLCOBIXAJO-HOTGVXAUSA-N 1 1 361.398 2.128 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000299300425 553544536 /nfs/dbraw/zinc/54/45/36/553544536.db2.gz NRMSEKZJHJGVOH-KRWDZBQOSA-N 1 1 371.441 2.271 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000299321057 553547441 /nfs/dbraw/zinc/54/74/41/553547441.db2.gz FKZRBNJOGXAWHP-UHFFFAOYSA-N 1 1 371.441 2.053 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427844 553561668 /nfs/dbraw/zinc/56/16/68/553561668.db2.gz XJPSPZFMWKIITI-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000299446050 553564172 /nfs/dbraw/zinc/56/41/72/553564172.db2.gz YQRAISKGNCPDOZ-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000299731441 553609099 /nfs/dbraw/zinc/60/90/99/553609099.db2.gz XFKJFHFPJNHRAV-HNNXBMFYSA-N 1 1 353.419 2.271 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCc2sccc2C1 ZINC000301068566 553618893 /nfs/dbraw/zinc/61/88/93/553618893.db2.gz FKOZXNGYUQLRSO-UHFFFAOYSA-N 1 1 360.439 2.486 20 5 FEBDMO C[C@@](O)(CNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C[NH+]1CCOCC1 ZINC000301797574 553680141 /nfs/dbraw/zinc/68/01/41/553680141.db2.gz ZDNWJODVRPZDOB-CQSZACIVSA-N 1 1 363.336 2.109 20 5 FEBDMO O=C(NC1CC1)c1ccc(NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000301881904 553688055 /nfs/dbraw/zinc/68/80/55/553688055.db2.gz WNCWVPRTUFPTOC-HOTGVXAUSA-N 1 1 374.441 2.152 20 5 FEBDMO O=C(NC1CC1)c1ccc(NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000301881904 553688056 /nfs/dbraw/zinc/68/80/56/553688056.db2.gz WNCWVPRTUFPTOC-HOTGVXAUSA-N 1 1 374.441 2.152 20 5 FEBDMO COc1cccc([C@@H]2[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)CC[N@H+]2C2CC2)c1 ZINC000302031210 553699242 /nfs/dbraw/zinc/69/92/42/553699242.db2.gz IKWOTLZGEOGKOG-GDBMZVCRSA-N 1 1 370.413 2.366 20 5 FEBDMO CC[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302204319 553710488 /nfs/dbraw/zinc/71/04/88/553710488.db2.gz CJZRNIGAJYYSTQ-IRXDYDNUSA-N 1 1 357.414 2.476 20 5 FEBDMO CC[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302204319 553710492 /nfs/dbraw/zinc/71/04/92/553710492.db2.gz CJZRNIGAJYYSTQ-IRXDYDNUSA-N 1 1 357.414 2.476 20 5 FEBDMO Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437111 553716918 /nfs/dbraw/zinc/71/69/18/553716918.db2.gz MMABKGSWFIOKBT-HUUCEWRRSA-N 1 1 371.441 2.252 20 5 FEBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000505518464 561672863 /nfs/dbraw/zinc/67/28/63/561672863.db2.gz DKBDQLFCRGJOBG-MRXNPFEDSA-N 1 1 360.414 2.362 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000505608298 561675178 /nfs/dbraw/zinc/67/51/78/561675178.db2.gz MWKSWWMINPHGEA-LJQANCHMSA-N 1 1 369.425 2.338 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000331992554 554359696 /nfs/dbraw/zinc/35/96/96/554359696.db2.gz WMOJLOLLGPQEJZ-CYBMUJFWSA-N 1 1 353.444 2.198 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332216580 554402697 /nfs/dbraw/zinc/40/26/97/554402697.db2.gz ISWTWRXNYLAJJV-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000332422463 554443761 /nfs/dbraw/zinc/44/37/61/554443761.db2.gz ABFRNNDWDJAUTO-RHSMWYFYSA-N 1 1 367.471 2.026 20 5 FEBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000332422463 554443762 /nfs/dbraw/zinc/44/37/62/554443762.db2.gz ABFRNNDWDJAUTO-RHSMWYFYSA-N 1 1 367.471 2.026 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000332471877 554452581 /nfs/dbraw/zinc/45/25/81/554452581.db2.gz UZWSIFSROKQPHC-UHFFFAOYSA-N 1 1 364.427 2.434 20 5 FEBDMO Cc1c(CNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000332604032 554481481 /nfs/dbraw/zinc/48/14/81/554481481.db2.gz MHADDZLBMOEZAA-OKILXGFUSA-N 1 1 364.446 2.154 20 5 FEBDMO Cc1c(CNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000332604032 554481483 /nfs/dbraw/zinc/48/14/83/554481483.db2.gz MHADDZLBMOEZAA-OKILXGFUSA-N 1 1 364.446 2.154 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000332631220 554487277 /nfs/dbraw/zinc/48/72/77/554487277.db2.gz UZTQIRGNXPOBMC-ZBEGNZNMSA-N 1 1 353.369 2.358 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000510472033 561835779 /nfs/dbraw/zinc/83/57/79/561835779.db2.gz CTOCUTNMMOOSBB-SECBINFHSA-N 1 1 356.220 2.442 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000510472033 561835781 /nfs/dbraw/zinc/83/57/81/561835781.db2.gz CTOCUTNMMOOSBB-SECBINFHSA-N 1 1 356.220 2.442 20 5 FEBDMO Cc1[nH]nc2ncc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)cc12 ZINC000510502551 561836874 /nfs/dbraw/zinc/83/68/74/561836874.db2.gz PGGYUOCHGSTTJM-UHFFFAOYSA-N 1 1 352.398 2.497 20 5 FEBDMO C[NH+]1CCN(C[C@@H]2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000360468787 554876047 /nfs/dbraw/zinc/87/60/47/554876047.db2.gz XHKFZPXRHXSIDO-ZDUSSCGKSA-N 1 1 354.401 2.337 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@@H]1c1cccs1 ZINC000361390544 554920426 /nfs/dbraw/zinc/92/04/26/554920426.db2.gz GVEOTMPGYCIAAA-QMTHXVAHSA-N 1 1 362.411 2.180 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361831569 554936973 /nfs/dbraw/zinc/93/69/73/554936973.db2.gz VAXSTZVEDMQZBR-CZUORRHYSA-N 1 1 369.425 2.411 20 5 FEBDMO O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000361902227 554937444 /nfs/dbraw/zinc/93/74/44/554937444.db2.gz ZNRBTZRLYWQKGB-MRXNPFEDSA-N 1 1 354.410 2.284 20 5 FEBDMO O=C(C[N@H+]1CC[C@@H](C2CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361955693 554940391 /nfs/dbraw/zinc/94/03/91/554940391.db2.gz VFZHFTULJAYNSW-MRXNPFEDSA-N 1 1 359.426 2.232 20 5 FEBDMO O=C(C[N@H+]1CC[C@H](C2CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000361955692 554940439 /nfs/dbraw/zinc/94/04/39/554940439.db2.gz VFZHFTULJAYNSW-INIZCTEOSA-N 1 1 359.426 2.232 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000363196269 555050914 /nfs/dbraw/zinc/05/09/14/555050914.db2.gz NVVYBOKOAMOEJI-HNNXBMFYSA-N 1 1 374.441 2.447 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257250 555065585 /nfs/dbraw/zinc/06/55/85/555065585.db2.gz VKYCAOMEBNFTOY-ZTFGCOKTSA-N 1 1 358.442 2.340 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257250 555065586 /nfs/dbraw/zinc/06/55/86/555065586.db2.gz VKYCAOMEBNFTOY-ZTFGCOKTSA-N 1 1 358.442 2.340 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363260002 555066095 /nfs/dbraw/zinc/06/60/95/555066095.db2.gz SAWRDXWVJIUURI-BJJXKVORSA-N 1 1 363.389 2.055 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363558484 555136404 /nfs/dbraw/zinc/13/64/04/555136404.db2.gz SAKFQFUUDMHFTR-IMJJTQAJSA-N 1 1 365.455 2.008 20 5 FEBDMO C[C@@H]1[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC12CCOCC2 ZINC000363798782 555188489 /nfs/dbraw/zinc/18/84/89/555188489.db2.gz XXFAKZMEEWDXNE-AWEZNQCLSA-N 1 1 359.426 2.375 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873339 555204033 /nfs/dbraw/zinc/20/40/33/555204033.db2.gz CIMISDWFAHGHTE-CXAGYDPISA-N 1 1 369.425 2.212 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccccc3N3CCOCC3)C2)c1 ZINC000364328628 555292528 /nfs/dbraw/zinc/29/25/28/555292528.db2.gz OFHOJAWKHKAXCO-KRWDZBQOSA-N 1 1 371.441 2.465 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000364335441 555293574 /nfs/dbraw/zinc/29/35/74/555293574.db2.gz IZOYVHLDZYWNKK-HOCLYGCPSA-N 1 1 361.358 2.070 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000364394856 555305498 /nfs/dbraw/zinc/30/54/98/555305498.db2.gz VLKYGGBRORRGJO-GDBMZVCRSA-N 1 1 359.361 2.118 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000364394856 555305501 /nfs/dbraw/zinc/30/55/01/555305501.db2.gz VLKYGGBRORRGJO-GDBMZVCRSA-N 1 1 359.361 2.118 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556372 555337465 /nfs/dbraw/zinc/33/74/65/555337465.db2.gz JBMBAKZYUVJMFT-OIISXLGYSA-N 1 1 361.442 2.143 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653935 555363830 /nfs/dbraw/zinc/36/38/30/555363830.db2.gz WFPXIWUJQIKYEQ-RISCZKNCSA-N 1 1 363.443 2.121 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000364695122 555376940 /nfs/dbraw/zinc/37/69/40/555376940.db2.gz LWRXFYMEKOKXPN-HNNXBMFYSA-N 1 1 353.382 2.053 20 5 FEBDMO COc1ccc(CSCC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000513218078 561929923 /nfs/dbraw/zinc/92/99/23/561929923.db2.gz NIAFNFGJTOZIDR-BETUJISGSA-N 1 1 367.471 2.388 20 5 FEBDMO COc1ccc(CSCC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000513218078 561929924 /nfs/dbraw/zinc/92/99/24/561929924.db2.gz NIAFNFGJTOZIDR-BETUJISGSA-N 1 1 367.471 2.388 20 5 FEBDMO Cn1c2ccc(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2oc1=O ZINC000513272860 561931913 /nfs/dbraw/zinc/93/19/13/561931913.db2.gz SQQLKFPKBCGHSU-UHFFFAOYSA-N 1 1 353.338 2.206 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000365772444 555664271 /nfs/dbraw/zinc/66/42/71/555664271.db2.gz AEIPNRLGYCECQG-BMIGLBTASA-N 1 1 355.797 2.482 20 5 FEBDMO Nc1nccc([C@H]2CCC[N@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000365997979 555722493 /nfs/dbraw/zinc/72/24/93/555722493.db2.gz DIBLKCAZIZKEIO-LBPRGKRZSA-N 1 1 371.397 2.213 20 5 FEBDMO Nc1nccc([C@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1 ZINC000365997979 555722496 /nfs/dbraw/zinc/72/24/96/555722496.db2.gz DIBLKCAZIZKEIO-LBPRGKRZSA-N 1 1 371.397 2.213 20 5 FEBDMO O=C([C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000366657699 555900850 /nfs/dbraw/zinc/90/08/50/555900850.db2.gz SEJQKAXKGUHJBY-SJLPKXTDSA-N 1 1 361.442 2.353 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000366923274 555971623 /nfs/dbraw/zinc/97/16/23/555971623.db2.gz RWDIDIKZQGJXBU-JJRVBVJISA-N 1 1 350.415 2.366 20 5 FEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367924797 556174056 /nfs/dbraw/zinc/17/40/56/556174056.db2.gz BXXWYBGDRGJHKC-RDTXWAMCSA-N 1 1 360.458 2.260 20 5 FEBDMO Cc1[nH+]c(CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])c2n1CCCC2 ZINC000368697784 556389386 /nfs/dbraw/zinc/38/93/86/556389386.db2.gz CDEOZRJNKAUBAU-UHFFFAOYSA-N 1 1 364.427 2.056 20 5 FEBDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976429 556465697 /nfs/dbraw/zinc/46/56/97/556465697.db2.gz WGKZQPTZRZXLQD-YEWWUXTCSA-N 1 1 370.409 2.378 20 5 FEBDMO Cc1cccc(C(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000369310899 556571156 /nfs/dbraw/zinc/57/11/56/556571156.db2.gz SZJIWAUYGYTTDQ-INIZCTEOSA-N 1 1 360.458 2.003 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369817225 556703708 /nfs/dbraw/zinc/70/37/08/556703708.db2.gz YUJRQYUSQOZUNV-AWEZNQCLSA-N 1 1 374.441 2.256 20 5 FEBDMO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])s3)CCC[N@H+]2C)cn1 ZINC000369818888 556703719 /nfs/dbraw/zinc/70/37/19/556703719.db2.gz KBVKDVCICGGTGU-ABAIWWIYSA-N 1 1 363.443 2.203 20 5 FEBDMO CCc1ccc(C(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370000192 556753935 /nfs/dbraw/zinc/75/39/35/556753935.db2.gz XNODVKBIFYTTDS-MRXNPFEDSA-N 1 1 374.485 2.257 20 5 FEBDMO Cc1c[nH+]ccc1OC1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000370083585 556776349 /nfs/dbraw/zinc/77/63/49/556776349.db2.gz RHIHYLVUZDVFHE-UHFFFAOYSA-N 1 1 354.370 2.389 20 5 FEBDMO Cc1cc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352412 556847660 /nfs/dbraw/zinc/84/76/60/556847660.db2.gz YSPKKLVLEFDESM-LSDHHAIUSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352412 556847664 /nfs/dbraw/zinc/84/76/64/556847664.db2.gz YSPKKLVLEFDESM-LSDHHAIUSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352412 556847667 /nfs/dbraw/zinc/84/76/67/556847667.db2.gz YSPKKLVLEFDESM-LSDHHAIUSA-N 1 1 360.414 2.246 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC000516895791 562063237 /nfs/dbraw/zinc/06/32/37/562063237.db2.gz OJNDUIBAGBYRNB-CQSZACIVSA-N 1 1 355.460 2.262 20 5 FEBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370818523 556977748 /nfs/dbraw/zinc/97/77/48/556977748.db2.gz GRTBVRMRKMRDFD-QGZVFWFLSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1cc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370818523 556977750 /nfs/dbraw/zinc/97/77/50/556977750.db2.gz GRTBVRMRKMRDFD-QGZVFWFLSA-N 1 1 360.458 2.144 20 5 FEBDMO Cn1cc([C@H]2[C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000370924319 557017803 /nfs/dbraw/zinc/01/78/03/557017803.db2.gz RMOQEVBCKPICLQ-RHSMWYFYSA-N 1 1 357.414 2.141 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000371066048 557064256 /nfs/dbraw/zinc/06/42/56/557064256.db2.gz YTWCLVHRNCDDQS-NVXWUHKLSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000371066048 557064260 /nfs/dbraw/zinc/06/42/60/557064260.db2.gz YTWCLVHRNCDDQS-NVXWUHKLSA-N 1 1 358.373 2.491 20 5 FEBDMO CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371306521 557139314 /nfs/dbraw/zinc/13/93/14/557139314.db2.gz VXYCJCGVOMBCEP-QGZVFWFLSA-N 1 1 362.474 2.074 20 5 FEBDMO CN(CCOc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371306521 557139320 /nfs/dbraw/zinc/13/93/20/557139320.db2.gz VXYCJCGVOMBCEP-QGZVFWFLSA-N 1 1 362.474 2.074 20 5 FEBDMO CCc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000371844064 557309859 /nfs/dbraw/zinc/30/98/59/557309859.db2.gz IBFNTICINMVVER-SFHVURJKSA-N 1 1 374.485 2.398 20 5 FEBDMO CCc1ccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000371844064 557309863 /nfs/dbraw/zinc/30/98/63/557309863.db2.gz IBFNTICINMVVER-SFHVURJKSA-N 1 1 374.485 2.398 20 5 FEBDMO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000372109695 557382047 /nfs/dbraw/zinc/38/20/47/557382047.db2.gz VBOQYWYHZJJCAI-GFCCVEGCSA-N 1 1 365.386 2.011 20 5 FEBDMO COC[C@@H]1CCCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000372109695 557382049 /nfs/dbraw/zinc/38/20/49/557382049.db2.gz VBOQYWYHZJJCAI-GFCCVEGCSA-N 1 1 365.386 2.011 20 5 FEBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518976117 562122371 /nfs/dbraw/zinc/12/23/71/562122371.db2.gz VCNZZGDBVHFDPO-GFCCVEGCSA-N 1 1 359.835 2.105 20 5 FEBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000518976117 562122372 /nfs/dbraw/zinc/12/23/72/562122372.db2.gz VCNZZGDBVHFDPO-GFCCVEGCSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H]1c1cccnc1 ZINC000372392467 557459293 /nfs/dbraw/zinc/45/92/93/557459293.db2.gz BFJWAPNEDDGLEP-KXBFYZLASA-N 1 1 370.409 2.178 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000519563254 562134985 /nfs/dbraw/zinc/13/49/85/562134985.db2.gz APOBMLCBQGTDBM-OOXMNIKJSA-N 1 1 367.471 2.354 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000519563254 562134986 /nfs/dbraw/zinc/13/49/86/562134986.db2.gz APOBMLCBQGTDBM-OOXMNIKJSA-N 1 1 367.471 2.354 20 5 FEBDMO CC(C)OC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000372908192 557586159 /nfs/dbraw/zinc/58/61/59/557586159.db2.gz YVBRMBNXXIELEE-CQSZACIVSA-N 1 1 369.393 2.188 20 5 FEBDMO CC(C)OC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000372908192 557586160 /nfs/dbraw/zinc/58/61/60/557586160.db2.gz YVBRMBNXXIELEE-CQSZACIVSA-N 1 1 369.393 2.188 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000373381596 557683223 /nfs/dbraw/zinc/68/32/23/557683223.db2.gz DAVKOLKESVYZFT-ZDUSSCGKSA-N 1 1 353.444 2.232 20 5 FEBDMO CCC(=O)c1ccc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000373546641 557716103 /nfs/dbraw/zinc/71/61/03/557716103.db2.gz IIKAKDWMZQKXAB-INIZCTEOSA-N 1 1 374.441 2.106 20 5 FEBDMO COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000374609942 557906618 /nfs/dbraw/zinc/90/66/18/557906618.db2.gz HCQMKZQUFXNEIG-IAGOWNOFSA-N 1 1 360.414 2.306 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374675142 557915607 /nfs/dbraw/zinc/91/56/07/557915607.db2.gz CYWMWCSTFYQHHQ-CYBMUJFWSA-N 1 1 351.403 2.433 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000374871251 557944215 /nfs/dbraw/zinc/94/42/15/557944215.db2.gz CPUKKCLBBMETKG-KBXCAEBGSA-N 1 1 360.458 2.378 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000374871251 557944217 /nfs/dbraw/zinc/94/42/17/557944217.db2.gz CPUKKCLBBMETKG-KBXCAEBGSA-N 1 1 360.458 2.378 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000374917082 557950925 /nfs/dbraw/zinc/95/09/25/557950925.db2.gz XWYWZBUTPQETGE-GXFFZTMASA-N 1 1 355.341 2.362 20 5 FEBDMO COc1cc(CN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000375121695 557980816 /nfs/dbraw/zinc/98/08/16/557980816.db2.gz UGDNKJIQEGSXOF-GJZGRUSLSA-N 1 1 367.421 2.164 20 5 FEBDMO C[C@H]1[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375242001 557997178 /nfs/dbraw/zinc/99/71/78/557997178.db2.gz MKTHLWKTPRTLCV-HUUCEWRRSA-N 1 1 350.415 2.226 20 5 FEBDMO C[NH+]1CCC([NH+]2CCC(CCN=c3[n-]cc([N+](=O)[O-])s3)CC2)CC1 ZINC000375581132 558052249 /nfs/dbraw/zinc/05/22/49/558052249.db2.gz GMJZSCVHUWPVSW-UHFFFAOYSA-N 1 1 353.492 2.660 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CCCC1 ZINC000521484150 562177424 /nfs/dbraw/zinc/17/74/24/562177424.db2.gz IVBPNLZZNVNHPP-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000376202865 558140422 /nfs/dbraw/zinc/14/04/22/558140422.db2.gz GLHLCSXOHXBCRV-INIZCTEOSA-N 1 1 359.357 2.416 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000376202865 558140423 /nfs/dbraw/zinc/14/04/23/558140423.db2.gz GLHLCSXOHXBCRV-INIZCTEOSA-N 1 1 359.357 2.416 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000376425347 558171344 /nfs/dbraw/zinc/17/13/44/558171344.db2.gz CKYIBRLLADWBKA-SECBINFHSA-N 1 1 358.324 2.450 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000376425347 558171345 /nfs/dbraw/zinc/17/13/45/558171345.db2.gz CKYIBRLLADWBKA-SECBINFHSA-N 1 1 358.324 2.450 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000377647842 558386111 /nfs/dbraw/zinc/38/61/11/558386111.db2.gz TZEUVKCLQGMQSK-SFHVURJKSA-N 1 1 365.430 2.272 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000377837643 558431932 /nfs/dbraw/zinc/43/19/32/558431932.db2.gz PMRZMUAPHIBILB-MDZRGWNJSA-N 1 1 366.421 2.433 20 5 FEBDMO COc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378304026 558524811 /nfs/dbraw/zinc/52/48/11/558524811.db2.gz FSLLKHOCRXAVSU-HOTGVXAUSA-N 1 1 355.394 2.431 20 5 FEBDMO Cc1[nH+]c(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c2n1CCCC2 ZINC000378319005 558528430 /nfs/dbraw/zinc/52/84/30/558528430.db2.gz VGAAMAOZIOPLGP-UHFFFAOYSA-N 1 1 372.381 2.137 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316032 558666348 /nfs/dbraw/zinc/66/63/48/558666348.db2.gz NFEZEXZYUHASJN-QWHCGFSZSA-N 1 1 371.434 2.290 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524869519 562236523 /nfs/dbraw/zinc/23/65/23/562236523.db2.gz LUQSIUPAOHSXPM-CHWSQXEVSA-N 1 1 371.459 2.097 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279089 558867003 /nfs/dbraw/zinc/86/70/03/558867003.db2.gz PFLVKCZAYSOJFJ-GXTWGEPZSA-N 1 1 361.320 2.311 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000411313149 558874580 /nfs/dbraw/zinc/87/45/80/558874580.db2.gz AADRBEYRJVFPAT-XJKSGUPXSA-N 1 1 363.414 2.433 20 5 FEBDMO CC[C@@]1(C)COCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411413772 558890807 /nfs/dbraw/zinc/89/08/07/558890807.db2.gz BDPRLVFKNNOXGO-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000411429023 558893678 /nfs/dbraw/zinc/89/36/78/558893678.db2.gz LTARJFNOAPXBRS-AWEZNQCLSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000411429023 558893680 /nfs/dbraw/zinc/89/36/80/558893680.db2.gz LTARJFNOAPXBRS-AWEZNQCLSA-N 1 1 359.386 2.492 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000411549139 558915086 /nfs/dbraw/zinc/91/50/86/558915086.db2.gz ZQVJYGFYQZVTOR-ZDUSSCGKSA-N 1 1 350.419 2.078 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411549174 558915218 /nfs/dbraw/zinc/91/52/18/558915218.db2.gz ZUKMZFADZZABCA-CQSZACIVSA-N 1 1 364.446 2.387 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCc3c(cnn3C)C2)c([N+](=O)[O-])c1 ZINC000411861798 558978060 /nfs/dbraw/zinc/97/80/60/558978060.db2.gz XOTSHUJKIJARER-UHFFFAOYSA-N 1 1 373.413 2.114 20 5 FEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000526919989 562269478 /nfs/dbraw/zinc/26/94/78/562269478.db2.gz PHILXKYBXGLSIH-UHFFFAOYSA-N 1 1 366.393 2.005 20 5 FEBDMO CCc1ccc([C@@H]([NH2+]C[C@@H](O)Cn2ccnn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414172314 559151512 /nfs/dbraw/zinc/15/15/12/559151512.db2.gz DUTLJPUTWHMHDT-QAPCUYQASA-N 1 1 371.397 2.082 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000527011805 562273222 /nfs/dbraw/zinc/27/32/22/562273222.db2.gz RXARUJKWDFUMCK-UHFFFAOYSA-N 1 1 371.441 2.391 20 5 FEBDMO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 ZINC000414630270 559176329 /nfs/dbraw/zinc/17/63/29/559176329.db2.gz VGBUHAAQLQUIIE-NSHDSACASA-N 1 1 354.388 2.094 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000415657086 559258789 /nfs/dbraw/zinc/25/87/89/559258789.db2.gz JPJMVHNEMNLHQP-TXEJJXNPSA-N 1 1 353.394 2.226 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416927495 559338872 /nfs/dbraw/zinc/33/88/72/559338872.db2.gz WEBUFNROVXWKMA-QWHCGFSZSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416927495 559338873 /nfs/dbraw/zinc/33/88/73/559338873.db2.gz WEBUFNROVXWKMA-QWHCGFSZSA-N 1 1 350.419 2.130 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419344641 559438684 /nfs/dbraw/zinc/43/86/84/559438684.db2.gz SGYKOKUZPWGMPD-KBPBESRZSA-N 1 1 360.414 2.137 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329555 559480982 /nfs/dbraw/zinc/48/09/82/559480982.db2.gz OQZLDVIWNRLGBK-HUUCEWRRSA-N 1 1 357.414 2.466 20 5 FEBDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000420458275 559488459 /nfs/dbraw/zinc/48/84/59/559488459.db2.gz KCGAQUVDZTUQPT-UHFFFAOYSA-N 1 1 361.423 2.343 20 5 FEBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420583138 559493000 /nfs/dbraw/zinc/49/30/00/559493000.db2.gz KBIWXUXNYZDMDT-UHFFFAOYSA-N 1 1 354.410 2.406 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420990112 559517905 /nfs/dbraw/zinc/51/79/05/559517905.db2.gz DMRBOILIGREFMX-CYBMUJFWSA-N 1 1 363.414 2.311 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000420989645 559517927 /nfs/dbraw/zinc/51/79/27/559517927.db2.gz CNNXMTHNXHQPHD-CQSZACIVSA-N 1 1 361.398 2.272 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421006721 559518971 /nfs/dbraw/zinc/51/89/71/559518971.db2.gz BPIWESHZQZHISL-UONOGXRCSA-N 1 1 365.430 2.415 20 5 FEBDMO CNS(=O)(=O)[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000527304258 562284562 /nfs/dbraw/zinc/28/45/62/562284562.db2.gz LFMKITRLQSNOBM-WQMJKPAKSA-N 1 1 353.444 2.012 20 5 FEBDMO CNS(=O)(=O)[C@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000527304258 562284563 /nfs/dbraw/zinc/28/45/63/562284563.db2.gz LFMKITRLQSNOBM-WQMJKPAKSA-N 1 1 353.444 2.012 20 5 FEBDMO Cc1c([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423374033 559627087 /nfs/dbraw/zinc/62/70/87/559627087.db2.gz CFKIUGFEUJQKSU-WFASDCNBSA-N 1 1 360.380 2.390 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425475897 559704258 /nfs/dbraw/zinc/70/42/58/559704258.db2.gz MOAKAUPDMYAEHI-LLVKDONJSA-N 1 1 356.220 2.267 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425475897 559704259 /nfs/dbraw/zinc/70/42/59/559704259.db2.gz MOAKAUPDMYAEHI-LLVKDONJSA-N 1 1 356.220 2.267 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000425478829 559704557 /nfs/dbraw/zinc/70/45/57/559704557.db2.gz NESYJJKXRBTIEW-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000425478829 559704558 /nfs/dbraw/zinc/70/45/58/559704558.db2.gz NESYJJKXRBTIEW-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000425478829 559704559 /nfs/dbraw/zinc/70/45/59/559704559.db2.gz NESYJJKXRBTIEW-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CC1)CCS(=O)(=O)CC2 ZINC000428702709 559781524 /nfs/dbraw/zinc/78/15/24/559781524.db2.gz WEDXBWGXYSVBRL-UHFFFAOYSA-N 1 1 368.455 2.264 20 5 FEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026748 559789059 /nfs/dbraw/zinc/78/90/59/559789059.db2.gz AATDBSVGTXXMFX-OHDICMOHSA-N 1 1 372.469 2.362 20 5 FEBDMO C[N@H+](CCCNC(=O)C1CCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000429554052 559801218 /nfs/dbraw/zinc/80/12/18/559801218.db2.gz RKUABNLSBNPNNH-UHFFFAOYSA-N 1 1 363.414 2.200 20 5 FEBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000429554052 559801219 /nfs/dbraw/zinc/80/12/19/559801219.db2.gz RKUABNLSBNPNNH-UHFFFAOYSA-N 1 1 363.414 2.200 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000435421415 559922576 /nfs/dbraw/zinc/92/25/76/559922576.db2.gz HUZAMMXCCKWOET-CQSZACIVSA-N 1 1 355.460 2.363 20 5 FEBDMO COc1cccc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000435924612 559932427 /nfs/dbraw/zinc/93/24/27/559932427.db2.gz WEOXPRGOGJCPJS-UHFFFAOYSA-N 1 1 356.382 2.269 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCSC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000438646576 559981676 /nfs/dbraw/zinc/98/16/76/559981676.db2.gz BPHDAOSQPNEIHN-CYBMUJFWSA-N 1 1 353.444 2.032 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000440066982 560004148 /nfs/dbraw/zinc/00/41/48/560004148.db2.gz YLKUYSMCURPWOY-TZMCWYRMSA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000440915974 560019617 /nfs/dbraw/zinc/01/96/17/560019617.db2.gz WTRMDZLHIUWCQZ-GXTWGEPZSA-N 1 1 369.425 2.350 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000443988481 560098566 /nfs/dbraw/zinc/09/85/66/560098566.db2.gz OQBCCLYTEMKGGA-UHFFFAOYSA-N 1 1 355.460 2.304 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000445030720 560127012 /nfs/dbraw/zinc/12/70/12/560127012.db2.gz LTAAGWIWDGKYMV-LBPRGKRZSA-N 1 1 360.418 2.002 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000446080626 560139619 /nfs/dbraw/zinc/13/96/19/560139619.db2.gz MPLLXUJVDQTVOR-XQQFMLRXSA-N 1 1 351.403 2.430 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447929526 560173374 /nfs/dbraw/zinc/17/33/74/560173374.db2.gz IGOPBIGJUWQOHK-OAHLLOKOSA-N 1 1 355.460 2.302 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000447943567 560174213 /nfs/dbraw/zinc/17/42/13/560174213.db2.gz KGEUXHLXSDXKGX-MRXNPFEDSA-N 1 1 369.487 2.177 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448324080 560184400 /nfs/dbraw/zinc/18/44/00/560184400.db2.gz BHXFUFMXYWCVMZ-HNNXBMFYSA-N 1 1 362.430 2.078 20 5 FEBDMO COC(=O)Cc1ccc(NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000450246737 560255605 /nfs/dbraw/zinc/25/56/05/560255605.db2.gz LHNYJCMGBJEEIK-UHFFFAOYSA-N 1 1 358.398 2.498 20 5 FEBDMO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549675 560314053 /nfs/dbraw/zinc/31/40/53/560314053.db2.gz QBTIQQSGQLOMRH-GOEBONIOSA-N 1 1 367.471 2.056 20 5 FEBDMO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@H](C)O1 ZINC000451563694 560315077 /nfs/dbraw/zinc/31/50/77/560315077.db2.gz KBFMWLQOGYNFFQ-HLLBOEOZSA-N 1 1 361.442 2.410 20 5 FEBDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@H](C)O1 ZINC000451563694 560315078 /nfs/dbraw/zinc/31/50/78/560315078.db2.gz KBFMWLQOGYNFFQ-HLLBOEOZSA-N 1 1 361.442 2.410 20 5 FEBDMO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000452796771 560374340 /nfs/dbraw/zinc/37/43/40/560374340.db2.gz LKEBVZPGSHRRIR-OAHLLOKOSA-N 1 1 363.458 2.469 20 5 FEBDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000454023111 560422769 /nfs/dbraw/zinc/42/27/69/560422769.db2.gz LJAPQQMFMSQPHF-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000454097260 560428938 /nfs/dbraw/zinc/42/89/38/560428938.db2.gz MJMQOSLMXDMMGH-AWEZNQCLSA-N 1 1 362.430 2.091 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000454927162 560463798 /nfs/dbraw/zinc/46/37/98/560463798.db2.gz MYWOXEWHSGCMDL-CQSZACIVSA-N 1 1 350.419 2.180 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000455134366 560471300 /nfs/dbraw/zinc/47/13/00/560471300.db2.gz DEADROWYAWIYRV-CQSZACIVSA-N 1 1 350.419 2.180 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCCC2(C)C)cc([N+](=O)[O-])c1OC ZINC000457063488 560546585 /nfs/dbraw/zinc/54/65/85/560546585.db2.gz VTWDXRVMLBRKFN-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000458499530 560627675 /nfs/dbraw/zinc/62/76/75/560627675.db2.gz JWABSENFBVXSKH-HOCLYGCPSA-N 1 1 364.446 2.110 20 5 FEBDMO CC(C)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000459592963 560696476 /nfs/dbraw/zinc/69/64/76/560696476.db2.gz IBYGAJUJWMZYGE-UHFFFAOYSA-N 1 1 359.430 2.449 20 5 FEBDMO CC(C)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000459592963 560696478 /nfs/dbraw/zinc/69/64/78/560696478.db2.gz IBYGAJUJWMZYGE-UHFFFAOYSA-N 1 1 359.430 2.449 20 5 FEBDMO C[C@@H](C[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459817476 560710634 /nfs/dbraw/zinc/71/06/34/560710634.db2.gz XHYNUOLLMHUKLO-NSHDSACASA-N 1 1 351.403 2.103 20 5 FEBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000461039916 560760123 /nfs/dbraw/zinc/76/01/23/560760123.db2.gz AYAOPCUBBUCRJK-CYBMUJFWSA-N 1 1 360.414 2.367 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000470153212 560975512 /nfs/dbraw/zinc/97/55/12/560975512.db2.gz WZMWAOVKGCWCPO-LLVKDONJSA-N 1 1 354.382 2.043 20 5 FEBDMO Cc1c[nH+]ccc1OC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000470386608 560980297 /nfs/dbraw/zinc/98/02/97/560980297.db2.gz KHWPIFNEDRMCPH-UHFFFAOYSA-N 1 1 373.413 2.300 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000470690093 560987526 /nfs/dbraw/zinc/98/75/26/560987526.db2.gz PLVOEOLYZXBBPU-OAHLLOKOSA-N 1 1 363.414 2.374 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000475115074 561090893 /nfs/dbraw/zinc/09/08/93/561090893.db2.gz BBPVZOUKFAZIGP-YDHLFZDLSA-N 1 1 366.414 2.128 20 5 FEBDMO CN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475306629 561094563 /nfs/dbraw/zinc/09/45/63/561094563.db2.gz SUCYAUBWVFBBOV-INIZCTEOSA-N 1 1 371.441 2.259 20 5 FEBDMO CCOc1ccc(C[NH+]2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)cc1 ZINC000475745817 561104369 /nfs/dbraw/zinc/10/43/69/561104369.db2.gz DPXHECAJXURLOD-UHFFFAOYSA-N 1 1 359.430 2.045 20 5 FEBDMO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000531664758 562453539 /nfs/dbraw/zinc/45/35/39/562453539.db2.gz HQIQXWRQCBFMBL-HOCLYGCPSA-N 1 1 372.425 2.449 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000532252599 562471608 /nfs/dbraw/zinc/47/16/08/562471608.db2.gz OOSHRLUEBLMGMP-RHSMWYFYSA-N 1 1 362.430 2.099 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000532944716 562493315 /nfs/dbraw/zinc/49/33/15/562493315.db2.gz UZAQCAQWNIUWQH-CQSZACIVSA-N 1 1 362.430 2.209 20 5 FEBDMO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000533303125 562504559 /nfs/dbraw/zinc/50/45/59/562504559.db2.gz FQRANZXEOXJZON-ZDUSSCGKSA-N 1 1 352.822 2.355 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000533866995 562520254 /nfs/dbraw/zinc/52/02/54/562520254.db2.gz PKOUJXMGYUBTHU-AWEZNQCLSA-N 1 1 357.414 2.455 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000534145729 562526572 /nfs/dbraw/zinc/52/65/72/562526572.db2.gz LTEDSEDZYXIXIY-UHFFFAOYSA-N 1 1 364.793 2.336 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCOCC1 ZINC000534248298 562528415 /nfs/dbraw/zinc/52/84/15/562528415.db2.gz VBVWIGUWIKUBBG-MRXNPFEDSA-N 1 1 360.414 2.163 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000570923904 568704232 /nfs/dbraw/zinc/70/42/32/568704232.db2.gz XYJPRBFNGMIRNS-HOCLYGCPSA-N 1 1 367.471 2.262 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000557152101 674440159 /nfs/dbraw/zinc/44/01/59/674440159.db2.gz QMYBHKTXFRKVLR-CHWSQXEVSA-N 1 1 367.471 2.388 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000557152101 674440160 /nfs/dbraw/zinc/44/01/60/674440160.db2.gz QMYBHKTXFRKVLR-CHWSQXEVSA-N 1 1 367.471 2.388 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ncc(C3OCCO3)s2)cc1 ZINC000809614797 674500848 /nfs/dbraw/zinc/50/08/48/674500848.db2.gz VCNLEIPNXQJBRD-UHFFFAOYSA-N 1 1 351.384 2.265 20 5 FEBDMO C[C@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824564548 608563960 /nfs/dbraw/zinc/56/39/60/608563960.db2.gz VNEQKIXTMXYXGI-NSHDSACASA-N 1 1 367.369 2.064 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+](C2CCC2)C1 ZINC000817021514 675093405 /nfs/dbraw/zinc/09/34/05/675093405.db2.gz KWDQFKOYHCYCQA-NSHDSACASA-N 1 1 350.394 2.263 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccco1 ZINC000063809328 670411239 /nfs/dbraw/zinc/41/12/39/670411239.db2.gz XAZQTUYOHXAFDB-CQSZACIVSA-N 1 1 351.334 2.125 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000817150139 675105743 /nfs/dbraw/zinc/10/57/43/675105743.db2.gz IVMKIDHOBVLJNS-LLVKDONJSA-N 1 1 361.851 2.271 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000093434229 670753006 /nfs/dbraw/zinc/75/30/06/670753006.db2.gz GIZMVFQZTPADJA-KOLCDFICSA-N 1 1 357.208 2.027 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@]2(CCSC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566172098 675189105 /nfs/dbraw/zinc/18/91/05/675189105.db2.gz AFURMIFASXOSGK-MRXNPFEDSA-N 1 1 351.428 2.131 20 5 FEBDMO C[N@@H+]1CCO[C@H](CSCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000566214488 675194470 /nfs/dbraw/zinc/19/44/70/675194470.db2.gz JXMFOWDSPGCKNI-NSHDSACASA-N 1 1 359.835 2.251 20 5 FEBDMO C[N@H+]1CCO[C@H](CSCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000566214488 675194471 /nfs/dbraw/zinc/19/44/71/675194471.db2.gz JXMFOWDSPGCKNI-NSHDSACASA-N 1 1 359.835 2.251 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609793407 675936502 /nfs/dbraw/zinc/93/65/02/675936502.db2.gz PFAWEJMOCLWURQ-CYBMUJFWSA-N 1 1 355.822 2.018 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CCO)C1 ZINC000609848949 675938970 /nfs/dbraw/zinc/93/89/70/675938970.db2.gz RBZVZOKKORPHJS-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000580605780 671820506 /nfs/dbraw/zinc/82/05/06/671820506.db2.gz GKJFGJOZNYIBFQ-LBPRGKRZSA-N 1 1 350.419 2.078 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CCC(C[NH+](CC)CC)CC2)c1[N+](=O)[O-] ZINC000609987357 675945844 /nfs/dbraw/zinc/94/58/44/675945844.db2.gz HJGPYPBVPFJLLJ-UHFFFAOYSA-N 1 1 351.451 2.464 20 5 FEBDMO COc1ccc(CSCC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610208719 675959248 /nfs/dbraw/zinc/95/92/48/675959248.db2.gz JJHJJGYOHGDFHU-GXTWGEPZSA-N 1 1 367.471 2.436 20 5 FEBDMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H](C)CO ZINC000581920691 671949650 /nfs/dbraw/zinc/94/96/50/671949650.db2.gz ILVNKMWLJNNGEC-SECBINFHSA-N 1 1 364.183 2.402 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261710 675962129 /nfs/dbraw/zinc/96/21/29/675962129.db2.gz ZJOZYAZKSCJUOO-BETUJISGSA-N 1 1 370.475 2.025 20 5 FEBDMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123003700 671973905 /nfs/dbraw/zinc/97/39/05/671973905.db2.gz SPVYPSFDWBJSNV-ONGXEEELSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123003700 671973910 /nfs/dbraw/zinc/97/39/10/671973910.db2.gz SPVYPSFDWBJSNV-ONGXEEELSA-N 1 1 356.220 2.443 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175087611 672365291 /nfs/dbraw/zinc/36/52/91/672365291.db2.gz UOEBDBOXJZTASD-LBPRGKRZSA-N 1 1 355.822 2.335 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000589236439 672516198 /nfs/dbraw/zinc/51/61/98/672516198.db2.gz UQEIGRHNWUKOJY-GFCCVEGCSA-N 1 1 359.448 2.002 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591124 672593841 /nfs/dbraw/zinc/59/38/41/672593841.db2.gz JTSCTMHLRQUKQF-AAEUAGOBSA-N 1 1 373.450 2.441 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000590662189 672599561 /nfs/dbraw/zinc/59/95/61/672599561.db2.gz BQZWZEDCLWOJBT-MFKMUULPSA-N 1 1 362.304 2.127 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000590662189 672599565 /nfs/dbraw/zinc/59/95/65/672599565.db2.gz BQZWZEDCLWOJBT-MFKMUULPSA-N 1 1 362.304 2.127 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)CCS3(=O)=O)c(F)c1 ZINC000611498183 676040743 /nfs/dbraw/zinc/04/07/43/676040743.db2.gz HVNKNQOAXAKFEC-UHFFFAOYSA-N 1 1 350.371 2.354 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)CC(C)(C)C ZINC000591013989 672641409 /nfs/dbraw/zinc/64/14/09/672641409.db2.gz BYIHDJYTDLAVGD-UHFFFAOYSA-N 1 1 353.419 2.272 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCCCNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)C1 ZINC000194214292 672752630 /nfs/dbraw/zinc/75/26/30/672752630.db2.gz IWQWNUHPQAYRDA-CYBMUJFWSA-N 1 1 370.475 2.166 20 5 FEBDMO C[C@H]1CC2(C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182505 672768143 /nfs/dbraw/zinc/76/81/43/672768143.db2.gz BQRHDPVYGGMUNW-GJZGRUSLSA-N 1 1 350.415 2.226 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)CO1 ZINC000593061666 672870354 /nfs/dbraw/zinc/87/03/54/672870354.db2.gz KYBDYGLEZPBEPE-OLZOCXBDSA-N 1 1 351.403 2.431 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594483754 673087928 /nfs/dbraw/zinc/08/79/28/673087928.db2.gz PEBSZJHJPCASEI-HZPDHXFCSA-N 1 1 353.444 2.031 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000594792399 673144591 /nfs/dbraw/zinc/14/45/91/673144591.db2.gz QJNYZVOMADNROF-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000594792399 673144592 /nfs/dbraw/zinc/14/45/92/673144592.db2.gz QJNYZVOMADNROF-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000594799285 673146629 /nfs/dbraw/zinc/14/66/29/673146629.db2.gz LOHMKWFXEKUAEZ-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595092284 673192437 /nfs/dbraw/zinc/19/24/37/673192437.db2.gz XBPWGQFUFMOEQS-JTQLQIEISA-N 1 1 368.821 2.176 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595679775 673282931 /nfs/dbraw/zinc/28/29/31/673282931.db2.gz YCAAJCZZYMLWRR-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595679775 673282934 /nfs/dbraw/zinc/28/29/34/673282934.db2.gz YCAAJCZZYMLWRR-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595873608 673333098 /nfs/dbraw/zinc/33/30/98/673333098.db2.gz NMUFUONXOZQZDE-UHFFFAOYSA-N 1 1 352.435 2.252 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596073790 673356075 /nfs/dbraw/zinc/35/60/75/673356075.db2.gz WATJHYDBYCHWFV-UHFFFAOYSA-N 1 1 354.476 2.345 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596073790 673356078 /nfs/dbraw/zinc/35/60/78/673356078.db2.gz WATJHYDBYCHWFV-UHFFFAOYSA-N 1 1 354.476 2.345 20 5 FEBDMO O=[N+]([O-])c1cncc(Cl)c1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000596147945 673363102 /nfs/dbraw/zinc/36/31/02/673363102.db2.gz YLEVTMMCEMZVRY-QGZVFWFLSA-N 1 1 362.817 2.114 20 5 FEBDMO COCC[N@@H+](C)CCCC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596177574 673365355 /nfs/dbraw/zinc/36/53/55/673365355.db2.gz NASWCBARDDFDEB-UHFFFAOYSA-N 1 1 352.435 2.270 20 5 FEBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000596359329 673379554 /nfs/dbraw/zinc/37/95/54/673379554.db2.gz AMHNUUNBWDRYPF-NSHDSACASA-N 1 1 374.283 2.436 20 5 FEBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000596359329 673379556 /nfs/dbraw/zinc/37/95/56/673379556.db2.gz AMHNUUNBWDRYPF-NSHDSACASA-N 1 1 374.283 2.436 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000596542199 673392798 /nfs/dbraw/zinc/39/27/98/673392798.db2.gz KNVVWQOGFOAKBU-UHFFFAOYSA-N 1 1 358.464 2.035 20 5 FEBDMO CCC[C@H](C)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000538308300 673433493 /nfs/dbraw/zinc/43/34/93/673433493.db2.gz TXYYKOACPKJNQW-AWEZNQCLSA-N 1 1 355.460 2.337 20 5 FEBDMO CC(C)C[C@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000538548607 673445914 /nfs/dbraw/zinc/44/59/14/673445914.db2.gz QCPGUWYGMZRQSA-YOEHRIQHSA-N 1 1 350.463 2.338 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693058 673499652 /nfs/dbraw/zinc/49/96/52/673499652.db2.gz ADLSFRBSWQXUGP-JKSUJKDBSA-N 1 1 365.455 2.009 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000539727918 673503003 /nfs/dbraw/zinc/50/30/03/673503003.db2.gz DBWMQNZAGGIDCE-FUHWJXTLSA-N 1 1 350.415 2.226 20 5 FEBDMO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@@H+](C)C1 ZINC000597945561 673522370 /nfs/dbraw/zinc/52/23/70/673522370.db2.gz IHZFWCXYHFIIEO-CYBMUJFWSA-N 1 1 370.247 2.452 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)C1 ZINC000598605593 673589188 /nfs/dbraw/zinc/58/91/88/673589188.db2.gz SIUMZVRDPZSSKK-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598608519 673589701 /nfs/dbraw/zinc/58/97/01/673589701.db2.gz STVSFIZLMLKGGX-AWEZNQCLSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000598613929 673590752 /nfs/dbraw/zinc/59/07/52/673590752.db2.gz ZVTCWBCAYFIKEG-OCCSQVGLSA-N 1 1 355.460 2.315 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598621446 673591725 /nfs/dbraw/zinc/59/17/25/673591725.db2.gz WKXPIKZEJMUJEO-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000598644310 673593229 /nfs/dbraw/zinc/59/32/29/673593229.db2.gz IINUNTWVFKLXCT-KRWDZBQOSA-N 1 1 362.407 2.233 20 5 FEBDMO Cc1c(Br)c(NC2CC([NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000599095081 673632977 /nfs/dbraw/zinc/63/29/77/673632977.db2.gz QDLXTUAUNMHJOU-UHFFFAOYSA-N 1 1 371.235 2.336 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000740840721 673656795 /nfs/dbraw/zinc/65/67/95/673656795.db2.gz CTLYEWVKKAJVNG-CHWSQXEVSA-N 1 1 353.394 2.444 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632059 673700061 /nfs/dbraw/zinc/70/00/61/673700061.db2.gz RSSGSFKZXJUANQ-OKXMYEFYSA-N 1 1 365.455 2.217 20 5 FEBDMO C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411481 673727019 /nfs/dbraw/zinc/72/70/19/673727019.db2.gz FUCJZKOVHVHKJG-ZJUUUORDSA-N 1 1 363.386 2.486 20 5 FEBDMO C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000742411481 673727020 /nfs/dbraw/zinc/72/70/20/673727020.db2.gz FUCJZKOVHVHKJG-ZJUUUORDSA-N 1 1 363.386 2.486 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000600314230 673757801 /nfs/dbraw/zinc/75/78/01/673757801.db2.gz OEPQHINSXWJWGI-ZDUSSCGKSA-N 1 1 367.471 2.141 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000546731646 673813993 /nfs/dbraw/zinc/81/39/93/673813993.db2.gz VZEMGNDBWIVBMN-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c1C ZINC000547281032 673839714 /nfs/dbraw/zinc/83/97/14/673839714.db2.gz LTANCOZCYYNGQB-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c1C ZINC000547281032 673839716 /nfs/dbraw/zinc/83/97/16/673839716.db2.gz LTANCOZCYYNGQB-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])s1 ZINC000601376380 673851220 /nfs/dbraw/zinc/85/12/20/673851220.db2.gz DQFDGNMDESCSLA-UHFFFAOYSA-N 1 1 358.445 2.180 20 5 FEBDMO C[NH+](C)C1(CS(=O)(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000601430087 673860970 /nfs/dbraw/zinc/86/09/70/673860970.db2.gz NUTPLTTVHSNVQU-HNNXBMFYSA-N 1 1 367.471 2.198 20 5 FEBDMO COC(=O)[C@@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000602728519 673910360 /nfs/dbraw/zinc/91/03/60/673910360.db2.gz AGFOXUDBLMSZNE-GTNSWQLSSA-N 1 1 350.371 2.092 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000602830641 673911748 /nfs/dbraw/zinc/91/17/48/673911748.db2.gz URNVSEVUDABAQN-UHFFFAOYSA-N 1 1 351.451 2.213 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ncc(Br)cn1 ZINC000602840226 673911810 /nfs/dbraw/zinc/91/18/10/673911810.db2.gz MKBGWMYLYKRYMG-MRVPVSSYSA-N 1 1 355.196 2.003 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000567522911 675299985 /nfs/dbraw/zinc/29/99/85/675299985.db2.gz DQUOIHJJBFCARI-LBPRGKRZSA-N 1 1 366.443 2.150 20 5 FEBDMO O=C(N1C[C@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1)C(F)(F)F ZINC000824828525 675624018 /nfs/dbraw/zinc/62/40/18/675624018.db2.gz NWLYAHGAABPJAQ-GHMZBOCLSA-N 1 1 363.361 2.499 20 5 FEBDMO O=C(N1C[C@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1)C(F)(F)F ZINC000824828525 675624019 /nfs/dbraw/zinc/62/40/19/675624019.db2.gz NWLYAHGAABPJAQ-GHMZBOCLSA-N 1 1 363.361 2.499 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000825756440 675667522 /nfs/dbraw/zinc/66/75/22/675667522.db2.gz SGYQDMYMHCCSGX-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]21 ZINC000827291840 675745892 /nfs/dbraw/zinc/74/58/92/675745892.db2.gz XHEDFCDQPIWSDH-ZWNOBZJWSA-N 1 1 355.341 2.362 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000603640461 675800296 /nfs/dbraw/zinc/80/02/96/675800296.db2.gz AXNHIQRLIYIYAY-CHWSQXEVSA-N 1 1 371.459 2.145 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000603777023 675801419 /nfs/dbraw/zinc/80/14/19/675801419.db2.gz NDMAXPNTGFREMP-OAHLLOKOSA-N 1 1 361.423 2.148 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000603777023 675801425 /nfs/dbraw/zinc/80/14/25/675801425.db2.gz NDMAXPNTGFREMP-OAHLLOKOSA-N 1 1 361.423 2.148 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000619476416 676379342 /nfs/dbraw/zinc/37/93/42/676379342.db2.gz OOFZDYCXWHGGDO-CHWSQXEVSA-N 1 1 371.459 2.145 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000619611558 676387829 /nfs/dbraw/zinc/38/78/29/676387829.db2.gz UJIZSLZKAZCUFQ-MRXNPFEDSA-N 1 1 361.423 2.431 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000839412524 680751981 /nfs/dbraw/zinc/75/19/81/680751981.db2.gz VQUWWWHIYUTWKT-MFKMUULPSA-N 1 1 354.204 2.133 20 5 FEBDMO Cc1cc(F)cc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000762623093 680756158 /nfs/dbraw/zinc/75/61/58/680756158.db2.gz RJILZBDZMIYMHO-CYBMUJFWSA-N 1 1 353.394 2.273 20 5 FEBDMO Cc1cc(F)cc(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000762623094 680756248 /nfs/dbraw/zinc/75/62/48/680756248.db2.gz RJILZBDZMIYMHO-ZDUSSCGKSA-N 1 1 353.394 2.273 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)[C@H](C)C1 ZINC000832361457 680126637 /nfs/dbraw/zinc/12/66/37/680126637.db2.gz ZAUQUNSXFLQMHX-SNVBAGLBSA-N 1 1 368.821 2.373 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)[C@H](C)C1 ZINC000832361457 680126643 /nfs/dbraw/zinc/12/66/43/680126643.db2.gz ZAUQUNSXFLQMHX-SNVBAGLBSA-N 1 1 368.821 2.373 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000832490055 680139438 /nfs/dbraw/zinc/13/94/38/680139438.db2.gz IUZDQEGQCOMCBX-NWDGAFQWSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000832490055 680139442 /nfs/dbraw/zinc/13/94/42/680139442.db2.gz IUZDQEGQCOMCBX-NWDGAFQWSA-N 1 1 355.822 2.084 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000752449572 680243144 /nfs/dbraw/zinc/24/31/44/680243144.db2.gz YVKJSIMXHCEPHY-CYBMUJFWSA-N 1 1 370.427 2.030 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000754791393 680378487 /nfs/dbraw/zinc/37/84/87/680378487.db2.gz FLSWJBFKINRIMB-JTQLQIEISA-N 1 1 359.835 2.072 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000754791393 680378493 /nfs/dbraw/zinc/37/84/93/680378493.db2.gz FLSWJBFKINRIMB-JTQLQIEISA-N 1 1 359.835 2.072 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000835897847 680395192 /nfs/dbraw/zinc/39/51/92/680395192.db2.gz QGPKDVKCULFGAN-GFCCVEGCSA-N 1 1 368.821 2.129 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000835897847 680395197 /nfs/dbraw/zinc/39/51/97/680395197.db2.gz QGPKDVKCULFGAN-GFCCVEGCSA-N 1 1 368.821 2.129 20 5 FEBDMO CCOc1cc(COC(=O)C[N@H+](C)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000755550838 680421064 /nfs/dbraw/zinc/42/10/64/680421064.db2.gz VSXNHBWJKJZRPK-CYBMUJFWSA-N 1 1 354.428 2.474 20 5 FEBDMO CCOc1cc(COC(=O)C[N@@H+](C)[C@@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000755550838 680421066 /nfs/dbraw/zinc/42/10/66/680421066.db2.gz VSXNHBWJKJZRPK-CYBMUJFWSA-N 1 1 354.428 2.474 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000755776902 680435153 /nfs/dbraw/zinc/43/51/53/680435153.db2.gz AGYDLMUNGYJLON-CQSZACIVSA-N 1 1 352.387 2.117 20 5 FEBDMO O=C(NCC1CC[NH+](Cc2ccc(F)cc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001393366 680460068 /nfs/dbraw/zinc/46/00/68/680460068.db2.gz AQCHSLKEPJNEPA-GDBMZVCRSA-N 1 1 369.824 2.473 20 5 FEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836778867 680512956 /nfs/dbraw/zinc/51/29/56/680512956.db2.gz KIJZHRRCERYSPI-LBPRGKRZSA-N 1 1 355.822 2.085 20 5 FEBDMO C[C@H](SC[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000842651593 680957302 /nfs/dbraw/zinc/95/73/02/680957302.db2.gz ALBITVLABXLRPT-JQWIXIFHSA-N 1 1 357.407 2.125 20 5 FEBDMO C[C@H](SC[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000842651593 680957303 /nfs/dbraw/zinc/95/73/03/680957303.db2.gz ALBITVLABXLRPT-JQWIXIFHSA-N 1 1 357.407 2.125 20 5 FEBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000842826347 680969957 /nfs/dbraw/zinc/96/99/57/680969957.db2.gz NCIZJRFUGOHZTI-LLVKDONJSA-N 1 1 361.851 2.319 20 5 FEBDMO Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001050325696 681045254 /nfs/dbraw/zinc/04/52/54/681045254.db2.gz LDVQTGWIMIWBDR-DTZQCDIJSA-N 1 1 351.472 2.486 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848509631 681567076 /nfs/dbraw/zinc/56/70/76/681567076.db2.gz LMOMAKKHUOBPST-CHWSQXEVSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848509631 681567080 /nfs/dbraw/zinc/56/70/80/681567080.db2.gz LMOMAKKHUOBPST-CHWSQXEVSA-N 1 1 357.407 2.029 20 5 FEBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913276242 685474979 /nfs/dbraw/zinc/47/49/79/685474979.db2.gz YBFRKBVOZHJNPW-IYBDPMFKSA-N 1 1 352.822 2.244 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000780868638 681880213 /nfs/dbraw/zinc/88/02/13/681880213.db2.gz XXEVBCUQXNFUIT-LLVKDONJSA-N 1 1 361.851 2.319 20 5 FEBDMO CCc1ccc(OS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)c([N+](=O)[O-])c1 ZINC000914119349 685495170 /nfs/dbraw/zinc/49/51/70/685495170.db2.gz IKCJDWIFFBPESI-INIZCTEOSA-N 1 1 354.428 2.352 20 5 FEBDMO CC[NH+]1CCN(c2ccc(C(=O)OCC(C)(C)[N+](=O)[O-])cc2F)CC1 ZINC000851127721 682019947 /nfs/dbraw/zinc/01/99/47/682019947.db2.gz UAZIFXZJSJWFHI-UHFFFAOYSA-N 1 1 353.394 2.180 20 5 FEBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000915297526 685514085 /nfs/dbraw/zinc/51/40/85/685514085.db2.gz PBYAZPGVJYQHIM-NWDGAFQWSA-N 1 1 350.375 2.496 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000784968282 682264514 /nfs/dbraw/zinc/26/45/14/682264514.db2.gz XVYNGMAZFVQLQJ-WDEREUQCSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000784968282 682264515 /nfs/dbraw/zinc/26/45/15/682264515.db2.gz XVYNGMAZFVQLQJ-WDEREUQCSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000784968279 682264534 /nfs/dbraw/zinc/26/45/34/682264534.db2.gz XVYNGMAZFVQLQJ-MNOVXSKESA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000784968279 682264537 /nfs/dbraw/zinc/26/45/37/682264537.db2.gz XVYNGMAZFVQLQJ-MNOVXSKESA-N 1 1 368.821 2.128 20 5 FEBDMO CNc1c(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000793146274 682867252 /nfs/dbraw/zinc/86/72/52/682867252.db2.gz FMYOXSOFLROVTJ-ZDUSSCGKSA-N 1 1 351.403 2.150 20 5 FEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000794157520 682941506 /nfs/dbraw/zinc/94/15/06/682941506.db2.gz ISUZCLQGVTXFJT-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000794157520 682941509 /nfs/dbraw/zinc/94/15/09/682941509.db2.gz ISUZCLQGVTXFJT-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000794157523 682941999 /nfs/dbraw/zinc/94/19/99/682941999.db2.gz ISUZCLQGVTXFJT-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000794157523 682942003 /nfs/dbraw/zinc/94/20/03/682942003.db2.gz ISUZCLQGVTXFJT-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)C1 ZINC000859411864 683104266 /nfs/dbraw/zinc/10/42/66/683104266.db2.gz OOZOAGQQSVTTTD-CYBMUJFWSA-N 1 1 366.849 2.100 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000796303167 683151066 /nfs/dbraw/zinc/15/10/66/683151066.db2.gz HLKVMZSEHSMHHX-CQSZACIVSA-N 1 1 362.304 2.401 20 5 FEBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000929521573 683605881 /nfs/dbraw/zinc/60/58/81/683605881.db2.gz TVAZAGIVCCEIQV-ZJUUUORDSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000929521573 683605883 /nfs/dbraw/zinc/60/58/83/683605883.db2.gz TVAZAGIVCCEIQV-ZJUUUORDSA-N 1 1 356.220 2.443 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000862628988 683610584 /nfs/dbraw/zinc/61/05/84/683610584.db2.gz LSFPRSPZGFCUDA-GFCCVEGCSA-N 1 1 350.394 2.453 20 5 FEBDMO CC(C)[NH+]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000929991534 683666420 /nfs/dbraw/zinc/66/64/20/683666420.db2.gz LDPMFRFBBCPPRI-UHFFFAOYSA-N 1 1 371.235 2.106 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)c1 ZINC000867426617 684276905 /nfs/dbraw/zinc/27/69/05/684276905.db2.gz WUWKGZHPODZVNY-CYBMUJFWSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000867426618 684277085 /nfs/dbraw/zinc/27/70/85/684277085.db2.gz WUWKGZHPODZVNY-ZDUSSCGKSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000931625959 684314728 /nfs/dbraw/zinc/31/47/28/684314728.db2.gz LLWCTJXPXHWQND-UHFFFAOYSA-N 1 1 369.853 2.268 20 5 FEBDMO C[C@@H]1[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000924009057 684387634 /nfs/dbraw/zinc/38/76/34/684387634.db2.gz SLJGGJRLFAHWMM-SKDRFNHKSA-N 1 1 371.235 2.249 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932005683 684387831 /nfs/dbraw/zinc/38/78/31/684387831.db2.gz WUWYGHUSPPVDCH-QWRGUYRKSA-N 1 1 369.805 2.270 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932005683 684387834 /nfs/dbraw/zinc/38/78/34/684387834.db2.gz WUWYGHUSPPVDCH-QWRGUYRKSA-N 1 1 369.805 2.270 20 5 FEBDMO C[C@@H](C[C@@H]1COCC[NH2+]1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762737 684583297 /nfs/dbraw/zinc/58/32/97/684583297.db2.gz NRPDIEALXYJFCF-GXFFZTMASA-N 1 1 358.236 2.214 20 5 FEBDMO O=C1N(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000872720211 685008537 /nfs/dbraw/zinc/00/85/37/685008537.db2.gz JSYIGMYEOMDFCW-ZIAGYGMSSA-N 1 1 362.455 2.479 20 5 FEBDMO O=C1NCCC12CC[NH+](Cn1ncc3cc([N+](=O)[O-])cc(Cl)c31)CC2 ZINC000872789354 685016027 /nfs/dbraw/zinc/01/60/27/685016027.db2.gz PXRYRNJUAVTKRU-UHFFFAOYSA-N 1 1 363.805 2.158 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](OC)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000879320616 686794824 /nfs/dbraw/zinc/79/48/24/686794824.db2.gz HXYRZBHBXVYTDA-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000879575054 686860184 /nfs/dbraw/zinc/86/01/84/686860184.db2.gz ILCZEUOIKSWDFM-NHYWBVRUSA-N 1 1 352.822 2.213 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000884954313 687973099 /nfs/dbraw/zinc/97/30/99/687973099.db2.gz CBUKGNJGJZDYLE-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000884958130 687974683 /nfs/dbraw/zinc/97/46/83/687974683.db2.gz ZLCMXNCRFCRWTF-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000885455109 688076762 /nfs/dbraw/zinc/07/67/62/688076762.db2.gz FIEAVMLCMFZWON-OLZOCXBDSA-N 1 1 373.862 2.496 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885859418 688171001 /nfs/dbraw/zinc/17/10/01/688171001.db2.gz ZSXXZSICLHELAB-OAHLLOKOSA-N 1 1 365.455 2.056 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000885892883 688179755 /nfs/dbraw/zinc/17/97/55/688179755.db2.gz FSYWFIIDFKTVRA-GFCCVEGCSA-N 1 1 371.796 2.370 20 5 FEBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886578485 688279641 /nfs/dbraw/zinc/27/96/41/688279641.db2.gz YUTLVPCPLZKLII-HMDURAKOSA-N 1 1 353.806 2.278 20 5 FEBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886578485 688279647 /nfs/dbraw/zinc/27/96/47/688279647.db2.gz YUTLVPCPLZKLII-HMDURAKOSA-N 1 1 353.806 2.278 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000895650126 689749730 /nfs/dbraw/zinc/74/97/30/689749730.db2.gz UUZRJEWJHVWPKM-QMTHXVAHSA-N 1 1 362.304 2.111 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000895650126 689749733 /nfs/dbraw/zinc/74/97/33/689749733.db2.gz UUZRJEWJHVWPKM-QMTHXVAHSA-N 1 1 362.304 2.111 20 5 FEBDMO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]CC[N+](=O)[O-])C1=O ZINC000905257983 691090786 /nfs/dbraw/zinc/09/07/86/691090786.db2.gz UODSNDFZKCVIOF-ZDUSSCGKSA-N 1 1 370.247 2.428 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906596199 691289540 /nfs/dbraw/zinc/28/95/40/691289540.db2.gz CRSREVFXDVEEES-AWEZNQCLSA-N 1 1 369.849 2.408 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000907519626 691508193 /nfs/dbraw/zinc/50/81/93/691508193.db2.gz QRTWBIGFMCIOSB-OLZOCXBDSA-N 1 1 369.849 2.094 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1(C)C ZINC000908002262 691596102 /nfs/dbraw/zinc/59/61/02/691596102.db2.gz POKVPNAAWCTNCC-UHFFFAOYSA-N 1 1 372.828 2.143 20 5 FEBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ccc([N+](=O)[O-])c(N)n1)[C@@H]2C ZINC001164858987 720975244 /nfs/dbraw/zinc/97/52/44/720975244.db2.gz JSWFZLZYYTYSCD-GFCCVEGCSA-N 1 1 359.434 2.190 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984081 722105847 /nfs/dbraw/zinc/10/58/47/722105847.db2.gz RRDHSUWDEIFYLA-SJORKVTESA-N 1 1 369.425 2.112 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000032268975 539933384 /nfs/dbraw/zinc/93/33/84/539933384.db2.gz XRFWJWZPZIOQBE-CYBMUJFWSA-N 1 1 367.471 2.403 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000550141822 674083147 /nfs/dbraw/zinc/08/31/47/674083147.db2.gz JZFTYJOWIAMZGX-SJORKVTESA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000550141822 674083150 /nfs/dbraw/zinc/08/31/50/674083150.db2.gz JZFTYJOWIAMZGX-SJORKVTESA-N 1 1 350.415 2.226 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000041896833 540038950 /nfs/dbraw/zinc/03/89/50/540038950.db2.gz QADPFDXNCXEESV-UHFFFAOYSA-N 1 1 374.363 2.412 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccco1 ZINC000046762595 540269742 /nfs/dbraw/zinc/26/97/42/540269742.db2.gz ADEBVSBJZSTSJF-MRXNPFEDSA-N 1 1 369.381 2.406 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000046996834 540283649 /nfs/dbraw/zinc/28/36/49/540283649.db2.gz NSDWNZOHWQGDKJ-ZIAGYGMSSA-N 1 1 363.414 2.359 20 5 FEBDMO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000047744832 540326949 /nfs/dbraw/zinc/32/69/49/540326949.db2.gz USJFWCUBNPVWMV-IBGZPJMESA-N 1 1 371.437 2.465 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000052192990 540457979 /nfs/dbraw/zinc/45/79/79/540457979.db2.gz ZVSPSSTZURNRJX-UHFFFAOYSA-N 1 1 357.414 2.133 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000052191841 540458078 /nfs/dbraw/zinc/45/80/78/540458078.db2.gz ZLSZZSVOYKGTCX-UHFFFAOYSA-N 1 1 360.417 2.476 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000054038982 540565941 /nfs/dbraw/zinc/56/59/41/540565941.db2.gz HHPDLIZWPQWJRN-OAHLLOKOSA-N 1 1 361.402 2.202 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000056460014 540727884 /nfs/dbraw/zinc/72/78/84/540727884.db2.gz ZNOKADUVJAPEGZ-ZIAGYGMSSA-N 1 1 364.446 2.282 20 5 FEBDMO C[NH+]1CCN([C@@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000057782853 540815367 /nfs/dbraw/zinc/81/53/67/540815367.db2.gz DYPCNPQOOJDIBF-LJQANCHMSA-N 1 1 368.437 2.200 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(CC(F)F)CC1 ZINC000057919838 540824250 /nfs/dbraw/zinc/82/42/50/540824250.db2.gz RWMOLUCXRJEXRX-UHFFFAOYSA-N 1 1 356.373 2.115 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000066395960 541313381 /nfs/dbraw/zinc/31/33/81/541313381.db2.gz RUNOYLIUNVOTNA-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000066484011 541325969 /nfs/dbraw/zinc/32/59/69/541325969.db2.gz WWFABPZQJZYPJZ-ROUUACIJSA-N 1 1 352.431 2.362 20 5 FEBDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000067244517 541435763 /nfs/dbraw/zinc/43/57/63/541435763.db2.gz FUTHKKGHLUFHJN-AWEZNQCLSA-N 1 1 361.423 2.276 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000072560415 541831401 /nfs/dbraw/zinc/83/14/01/541831401.db2.gz JVDBMJRCRNQRPD-HKUYNNGSSA-N 1 1 367.409 2.059 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000072560415 541831406 /nfs/dbraw/zinc/83/14/06/541831406.db2.gz JVDBMJRCRNQRPD-HKUYNNGSSA-N 1 1 367.409 2.059 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000072716473 541855762 /nfs/dbraw/zinc/85/57/62/541855762.db2.gz WIZLWCFJDZIEHW-HNNXBMFYSA-N 1 1 367.471 2.256 20 5 FEBDMO COC(=O)/C=C/c1ccc(NCc2c[nH+]c(N(C)C)n2C)c([N+](=O)[O-])c1 ZINC000074276793 542062167 /nfs/dbraw/zinc/06/21/67/542062167.db2.gz FIHCDAGJYSRLBP-SOFGYWHQSA-N 1 1 359.386 2.193 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000074856443 542128841 /nfs/dbraw/zinc/12/88/41/542128841.db2.gz LMPWTDHOJOKSTB-HNNXBMFYSA-N 1 1 364.446 2.408 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000076190283 542241368 /nfs/dbraw/zinc/24/13/68/542241368.db2.gz OWIOLQUQSHXHHT-MRXNPFEDSA-N 1 1 363.439 2.484 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076660762 542308722 /nfs/dbraw/zinc/30/87/22/542308722.db2.gz BRHIOSZLPNAMQT-CQSZACIVSA-N 1 1 362.430 2.032 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000077451312 542382996 /nfs/dbraw/zinc/38/29/96/542382996.db2.gz FMBXTIFUIOYZOC-MRXNPFEDSA-N 1 1 360.458 2.003 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C1 ZINC000078262986 542450802 /nfs/dbraw/zinc/45/08/02/542450802.db2.gz OBBSLJWOCVDGNQ-AWEZNQCLSA-N 1 1 370.400 2.412 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000078584031 542469043 /nfs/dbraw/zinc/46/90/43/542469043.db2.gz LTUUWMCKLQSZRM-AWEZNQCLSA-N 1 1 371.441 2.337 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801913409 674154817 /nfs/dbraw/zinc/15/48/17/674154817.db2.gz DOEIRMWHPFWEPS-LBPRGKRZSA-N 1 1 350.394 2.120 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000247419293 549331824 /nfs/dbraw/zinc/33/18/24/549331824.db2.gz NUTRKTIXJRMTJV-WBMJQRKESA-N 1 1 363.443 2.052 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+](CCO)CCOCC(F)(F)F)nc2c1 ZINC000083172503 542693094 /nfs/dbraw/zinc/69/30/94/542693094.db2.gz YKTCTWABXRDPKE-UHFFFAOYSA-N 1 1 363.292 2.109 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+](CCO)CCOCC(F)(F)F)nc2c1 ZINC000083172503 542693097 /nfs/dbraw/zinc/69/30/97/542693097.db2.gz YKTCTWABXRDPKE-UHFFFAOYSA-N 1 1 363.292 2.109 20 5 FEBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000802131864 674162359 /nfs/dbraw/zinc/16/23/59/674162359.db2.gz PKRWYLUUEFKCHQ-AWEZNQCLSA-N 1 1 351.403 2.049 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089933476 542775802 /nfs/dbraw/zinc/77/58/02/542775802.db2.gz OWRFIORPSWXMFN-XQQFMLRXSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089933476 542775804 /nfs/dbraw/zinc/77/58/04/542775804.db2.gz OWRFIORPSWXMFN-XQQFMLRXSA-N 1 1 351.403 2.023 20 5 FEBDMO Cc1c(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000089962530 542779593 /nfs/dbraw/zinc/77/95/93/542779593.db2.gz ZECJZEZROZWMNX-IRXDYDNUSA-N 1 1 369.421 2.268 20 5 FEBDMO COc1cc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000091453679 542808566 /nfs/dbraw/zinc/80/85/66/542808566.db2.gz QPRQYHIRMZSGEU-GFCCVEGCSA-N 1 1 353.394 2.432 20 5 FEBDMO CCc1nn(C)c(N(C)CC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000094163860 542955486 /nfs/dbraw/zinc/95/54/86/542955486.db2.gz ZUOKEFIZGCZECY-UHFFFAOYSA-N 1 1 372.473 2.149 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000096996770 543001789 /nfs/dbraw/zinc/00/17/89/543001789.db2.gz SHTSEZOMDNMFQU-HNNXBMFYSA-N 1 1 367.402 2.315 20 5 FEBDMO C[C@@H]1C[N@H+](CC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)C[C@H](C)O1 ZINC000102648593 543076094 /nfs/dbraw/zinc/07/60/94/543076094.db2.gz QSUOGHTUGYDLNQ-BETUJISGSA-N 1 1 351.403 2.149 20 5 FEBDMO COc1cc(OCC(=O)N2CC[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000103410687 543105429 /nfs/dbraw/zinc/10/54/29/543105429.db2.gz PQNGCEOGZMUDOL-UHFFFAOYSA-N 1 1 371.393 2.461 20 5 FEBDMO COc1cc(OCC(=O)N2CC[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000103410687 543105432 /nfs/dbraw/zinc/10/54/32/543105432.db2.gz PQNGCEOGZMUDOL-UHFFFAOYSA-N 1 1 371.393 2.461 20 5 FEBDMO Cn1cc(C(=O)NCC2CC[NH+](Cc3csc([N+](=O)[O-])c3)CC2)cn1 ZINC000104092307 543123080 /nfs/dbraw/zinc/12/30/80/543123080.db2.gz PBHCLVLNWJVEEX-UHFFFAOYSA-N 1 1 363.443 2.032 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000106097871 543195167 /nfs/dbraw/zinc/19/51/67/543195167.db2.gz BQKKXQNWMJQSKH-LSDHHAIUSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H](O)CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000106097871 543195170 /nfs/dbraw/zinc/19/51/70/543195170.db2.gz BQKKXQNWMJQSKH-LSDHHAIUSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H](O)CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000106097871 543195172 /nfs/dbraw/zinc/19/51/72/543195172.db2.gz BQKKXQNWMJQSKH-LSDHHAIUSA-N 1 1 374.441 2.179 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106791205 543247509 /nfs/dbraw/zinc/24/75/09/543247509.db2.gz ZMHKRRJPFGEMHR-LBPRGKRZSA-N 1 1 351.378 2.246 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891632 543252948 /nfs/dbraw/zinc/25/29/48/543252948.db2.gz USCBXRCQOHLSIL-CQSZACIVSA-N 1 1 367.471 2.452 20 5 FEBDMO Cn1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108784124 543302501 /nfs/dbraw/zinc/30/25/01/543302501.db2.gz DOKOXVFPTKYJHS-ZDUSSCGKSA-N 1 1 369.425 2.209 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000110870291 543371253 /nfs/dbraw/zinc/37/12/53/543371253.db2.gz IOJMDKPICUGVOI-UHFFFAOYSA-N 1 1 359.430 2.256 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000112560655 543452533 /nfs/dbraw/zinc/45/25/33/543452533.db2.gz WGSOUKUMBXSNRH-UHFFFAOYSA-N 1 1 368.865 2.346 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000112560655 543452536 /nfs/dbraw/zinc/45/25/36/543452536.db2.gz WGSOUKUMBXSNRH-UHFFFAOYSA-N 1 1 368.865 2.346 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](CCO)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000112698797 543457387 /nfs/dbraw/zinc/45/73/87/543457387.db2.gz MVYPOOSSRSKAMR-UHFFFAOYSA-N 1 1 373.409 2.079 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CCO)CCc2ccccc2)c([N+](=O)[O-])c1 ZINC000112698797 543457390 /nfs/dbraw/zinc/45/73/90/543457390.db2.gz MVYPOOSSRSKAMR-UHFFFAOYSA-N 1 1 373.409 2.079 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000115585879 543575822 /nfs/dbraw/zinc/57/58/22/543575822.db2.gz VKQRQUJFNNAXEZ-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867032 543660686 /nfs/dbraw/zinc/66/06/86/543660686.db2.gz WKYISEYVGKTDPH-HIFRSBDPSA-N 1 1 361.446 2.313 20 5 FEBDMO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867032 543660689 /nfs/dbraw/zinc/66/06/89/543660689.db2.gz WKYISEYVGKTDPH-HIFRSBDPSA-N 1 1 361.446 2.313 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000123787845 543782548 /nfs/dbraw/zinc/78/25/48/543782548.db2.gz GZXLSNJULRQZDG-CJNGLKHVSA-N 1 1 357.414 2.335 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000124841334 543846002 /nfs/dbraw/zinc/84/60/02/543846002.db2.gz DBPPFELFYLGBLR-LBPRGKRZSA-N 1 1 361.489 2.317 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1SC ZINC000127258210 543980912 /nfs/dbraw/zinc/98/09/12/543980912.db2.gz DPEMAWFHIONCJO-PHIMTYICSA-N 1 1 353.444 2.490 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc1SC ZINC000127258210 543980914 /nfs/dbraw/zinc/98/09/14/543980914.db2.gz DPEMAWFHIONCJO-PHIMTYICSA-N 1 1 353.444 2.490 20 5 FEBDMO CCC1(CO)CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000128130027 544034289 /nfs/dbraw/zinc/03/42/89/544034289.db2.gz FRRBZBULRCUFIL-CYBMUJFWSA-N 1 1 365.430 2.415 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000128522108 544057185 /nfs/dbraw/zinc/05/71/85/544057185.db2.gz KHKULOYRTLHOJD-MRXNPFEDSA-N 1 1 362.430 2.160 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000130419348 544150018 /nfs/dbraw/zinc/15/00/18/544150018.db2.gz AQPJCSXQZDJRRH-UHFFFAOYSA-N 1 1 350.350 2.214 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000131032500 544174692 /nfs/dbraw/zinc/17/46/92/544174692.db2.gz QOUYXWZCXJPJMI-AWEZNQCLSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc(OC)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000131032500 544174695 /nfs/dbraw/zinc/17/46/95/544174695.db2.gz QOUYXWZCXJPJMI-AWEZNQCLSA-N 1 1 365.430 2.176 20 5 FEBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000131501479 544192394 /nfs/dbraw/zinc/19/23/94/544192394.db2.gz DPXVIROJRGYQQB-UHFFFAOYSA-N 1 1 357.414 2.302 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000131796123 544207081 /nfs/dbraw/zinc/20/70/81/544207081.db2.gz WEYJTVOTZWSRGR-PBHICJAKSA-N 1 1 371.441 2.127 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134167681 544296870 /nfs/dbraw/zinc/29/68/70/544296870.db2.gz RLHILGBVNYERFT-AWEZNQCLSA-N 1 1 356.430 2.334 20 5 FEBDMO NC(=O)c1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931490 544328326 /nfs/dbraw/zinc/32/83/26/544328326.db2.gz CUOKRCGSVSUBMZ-RHSMWYFYSA-N 1 1 358.442 2.142 20 5 FEBDMO CS(=O)(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135238534 544338734 /nfs/dbraw/zinc/33/87/34/544338734.db2.gz ZHBOQISZLNDXQE-AWEZNQCLSA-N 1 1 367.471 2.231 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C1 ZINC000137585600 544391803 /nfs/dbraw/zinc/39/18/03/544391803.db2.gz WGEQHYCEXGHMBN-ZDUSSCGKSA-N 1 1 367.471 2.405 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)c1 ZINC000151290681 544524628 /nfs/dbraw/zinc/52/46/28/544524628.db2.gz BPJHBWUJVLPVPL-UHFFFAOYSA-N 1 1 373.394 2.433 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000152938972 544714565 /nfs/dbraw/zinc/71/45/65/544714565.db2.gz IZMIMAWVNWPPTL-CHWSQXEVSA-N 1 1 351.403 2.167 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000153374451 544767651 /nfs/dbraw/zinc/76/76/51/544767651.db2.gz RHJFVEAACUYWEE-CQSZACIVSA-N 1 1 353.444 2.031 20 5 FEBDMO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCN(S(C)(=O)=O)CC1 ZINC000154319852 544890122 /nfs/dbraw/zinc/89/01/22/544890122.db2.gz DRLSLUSFRVWYSN-UHFFFAOYSA-N 1 1 361.851 2.104 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154966010 544971551 /nfs/dbraw/zinc/97/15/51/544971551.db2.gz JFENZHMZAPTTKF-CQSZACIVSA-N 1 1 357.414 2.385 20 5 FEBDMO CCC[C@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000187306785 328015149 /nfs/dbraw/zinc/01/51/49/328015149.db2.gz NNZFBFDWRYQEGT-GOSISDBHSA-N 1 1 362.430 2.222 20 5 FEBDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000187306785 328015151 /nfs/dbraw/zinc/01/51/51/328015151.db2.gz NNZFBFDWRYQEGT-GOSISDBHSA-N 1 1 362.430 2.222 20 5 FEBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000187316893 328015984 /nfs/dbraw/zinc/01/59/84/328015984.db2.gz PKCCUIAKYRQGJW-GOSISDBHSA-N 1 1 373.457 2.454 20 5 FEBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000187332566 328017428 /nfs/dbraw/zinc/01/74/28/328017428.db2.gz PQVAWLACGGITJS-MRXNPFEDSA-N 1 1 352.431 2.352 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000187627672 328036725 /nfs/dbraw/zinc/03/67/25/328036725.db2.gz APWNDNUQTJIHSK-KBPBESRZSA-N 1 1 364.446 2.142 20 5 FEBDMO COc1cc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000188228243 328074491 /nfs/dbraw/zinc/07/44/91/328074491.db2.gz ZOYXHHVRZOJCHP-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1CC(C)(C)O ZINC000188897588 328116379 /nfs/dbraw/zinc/11/63/79/328116379.db2.gz GWPGQTVHOWVKHN-LBPRGKRZSA-N 1 1 373.400 2.473 20 5 FEBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC1(O)CCOCC1 ZINC000189756433 328166258 /nfs/dbraw/zinc/16/62/58/328166258.db2.gz GOFQMNOJXLUMIA-UHFFFAOYSA-N 1 1 361.398 2.266 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000189973024 328179858 /nfs/dbraw/zinc/17/98/58/328179858.db2.gz QLDLHHZEIHRUFF-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000190145102 328190755 /nfs/dbraw/zinc/19/07/55/328190755.db2.gz UHCKQHAJNRCGSQ-WBMJQRKESA-N 1 1 357.414 2.081 20 5 FEBDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@H](C(N)=O)C1 ZINC000190145102 328190756 /nfs/dbraw/zinc/19/07/56/328190756.db2.gz UHCKQHAJNRCGSQ-WBMJQRKESA-N 1 1 357.414 2.081 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000191761964 328280445 /nfs/dbraw/zinc/28/04/45/328280445.db2.gz ODTLNKYQFPZFKS-UHFFFAOYSA-N 1 1 357.414 2.159 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191793750 328282262 /nfs/dbraw/zinc/28/22/62/328282262.db2.gz XJPVCBQBWBJAOX-TZMCWYRMSA-N 1 1 363.414 2.363 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000192459071 328320129 /nfs/dbraw/zinc/32/01/29/328320129.db2.gz ZFBCKMKUNMRKQB-QGZVFWFLSA-N 1 1 369.421 2.400 20 5 FEBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(N)ccc1[N+](=O)[O-] ZINC000193516903 328379660 /nfs/dbraw/zinc/37/96/60/328379660.db2.gz RSFDRVGPMHMUFL-IBGZPJMESA-N 1 1 356.426 2.250 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000193691970 328389833 /nfs/dbraw/zinc/38/98/33/328389833.db2.gz FSMALCGSHACQAR-IUODEOHRSA-N 1 1 356.382 2.088 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080125856 325118692 /nfs/dbraw/zinc/11/86/92/325118692.db2.gz KPNUWBJZFYMIJV-MRXNPFEDSA-N 1 1 364.446 2.240 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000081363120 325171946 /nfs/dbraw/zinc/17/19/46/325171946.db2.gz LHKFPXGPGDKKMA-GFCCVEGCSA-N 1 1 350.375 2.307 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081569691 325184356 /nfs/dbraw/zinc/18/43/56/325184356.db2.gz CDUHAXAXZSRNRQ-OAHLLOKOSA-N 1 1 360.458 2.148 20 5 FEBDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551504 325362877 /nfs/dbraw/zinc/36/28/77/325362877.db2.gz QMWWXTLJJBJKNE-SHZVTRLKSA-N 1 1 363.439 2.187 20 5 FEBDMO CCOc1ccc(C2=CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000091813552 325394833 /nfs/dbraw/zinc/39/48/33/325394833.db2.gz HFIKUSQROLUIMJ-GOSISDBHSA-N 1 1 372.425 2.340 20 5 FEBDMO Cc1c(Br)cc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000119779113 326197252 /nfs/dbraw/zinc/19/72/52/326197252.db2.gz SKYBNQFLDULPKZ-LLVKDONJSA-N 1 1 356.220 2.490 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000120954925 326302101 /nfs/dbraw/zinc/30/21/01/326302101.db2.gz OCIJFRWXAPFRQR-NVXWUHKLSA-N 1 1 367.471 2.026 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000121970383 326379000 /nfs/dbraw/zinc/37/90/00/326379000.db2.gz GRBQEERAUDKRSA-HOCLYGCPSA-N 1 1 374.441 2.093 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000123377478 326429315 /nfs/dbraw/zinc/42/93/15/326429315.db2.gz ZEYRFTOGGGUEDA-LLVKDONJSA-N 1 1 361.489 2.363 20 5 FEBDMO COC(=O)c1cc(C(=O)N(C)CCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000130802425 326563431 /nfs/dbraw/zinc/56/34/31/326563431.db2.gz DWYCIGYQFRLYPG-UHFFFAOYSA-N 1 1 360.370 2.049 20 5 FEBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000131000936 326567139 /nfs/dbraw/zinc/56/71/39/326567139.db2.gz GAMZXLUHRVPFJI-UHFFFAOYSA-N 1 1 363.439 2.493 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000153942064 326746899 /nfs/dbraw/zinc/74/68/99/326746899.db2.gz HXYUQMJLZDXZOE-GHMZBOCLSA-N 1 1 371.384 2.491 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000160267359 326959664 /nfs/dbraw/zinc/95/96/64/326959664.db2.gz NZWTWGBVRKUVAJ-UHFFFAOYSA-N 1 1 367.421 2.093 20 5 FEBDMO Cc1cccc(NCCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[nH+]1 ZINC000161817282 327009812 /nfs/dbraw/zinc/00/98/12/327009812.db2.gz WUKCGMVLPFFLRD-UHFFFAOYSA-N 1 1 366.381 2.326 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000163871200 327060254 /nfs/dbraw/zinc/06/02/54/327060254.db2.gz RETYKHRVXUYCOF-UHFFFAOYSA-N 1 1 356.220 2.443 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000172048426 327177741 /nfs/dbraw/zinc/17/77/41/327177741.db2.gz RATLQQHLYJNZDQ-CBOPYJBQSA-N 1 1 363.414 2.023 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000172048426 327177743 /nfs/dbraw/zinc/17/77/43/327177743.db2.gz RATLQQHLYJNZDQ-CBOPYJBQSA-N 1 1 363.414 2.023 20 5 FEBDMO O=C(CN1CCC[N@H+](C2CC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172348158 327197189 /nfs/dbraw/zinc/19/71/89/327197189.db2.gz NQPXEXMYCWHXTK-UHFFFAOYSA-N 1 1 352.822 2.357 20 5 FEBDMO Cc1nn(CCC(=O)N2CCC[N@H+](C3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000172421468 327200938 /nfs/dbraw/zinc/20/09/38/327200938.db2.gz LUMWZMSPYQCQBT-UHFFFAOYSA-N 1 1 363.462 2.275 20 5 FEBDMO COC(=O)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000173256793 327244487 /nfs/dbraw/zinc/24/44/87/327244487.db2.gz BYRKJRNNTJRFJS-UHFFFAOYSA-N 1 1 351.403 2.363 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000173273515 327245537 /nfs/dbraw/zinc/24/55/37/327245537.db2.gz BBYXBYIHDGRJLQ-MNOVXSKESA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000173279764 327246126 /nfs/dbraw/zinc/24/61/26/327246126.db2.gz CBAHLYXTDDYCPJ-JKSUJKDBSA-N 1 1 374.441 2.315 20 5 FEBDMO COc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000173668166 327275031 /nfs/dbraw/zinc/27/50/31/327275031.db2.gz AGFLRVMXFAMOCD-ZDUSSCGKSA-N 1 1 371.459 2.098 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C1 ZINC000173951648 327297257 /nfs/dbraw/zinc/29/72/57/327297257.db2.gz ZRVJAOQCPVFMAD-CQSZACIVSA-N 1 1 355.460 2.256 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000174184684 327311285 /nfs/dbraw/zinc/31/12/85/327311285.db2.gz NAUDTCAKHPEGBD-TZMCWYRMSA-N 1 1 350.419 2.228 20 5 FEBDMO Cc1nc(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000175668646 327405954 /nfs/dbraw/zinc/40/59/54/327405954.db2.gz RFBHUVNJUVLVEH-GOSISDBHSA-N 1 1 369.425 2.225 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000264914975 329073914 /nfs/dbraw/zinc/07/39/14/329073914.db2.gz OIZWFCKDRFPFSX-MRXNPFEDSA-N 1 1 368.865 2.250 20 5 FEBDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000265014654 329083254 /nfs/dbraw/zinc/08/32/54/329083254.db2.gz GDSONNZBNFXMQB-AWEZNQCLSA-N 1 1 372.381 2.420 20 5 FEBDMO COC(=O)[C@H]1CC12CC[NH+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000265109201 329092030 /nfs/dbraw/zinc/09/20/30/329092030.db2.gz ZPEJHXATHKQMHD-IUODEOHRSA-N 1 1 361.398 2.197 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000265790096 329160454 /nfs/dbraw/zinc/16/04/54/329160454.db2.gz LXERHUPMNDUSPE-UHFFFAOYSA-N 1 1 374.441 2.319 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000266734434 329254165 /nfs/dbraw/zinc/25/41/65/329254165.db2.gz OMIFDYDISZMTPU-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267007291 329282364 /nfs/dbraw/zinc/28/23/64/329282364.db2.gz GBTPFOSUNKTMDC-ZDUSSCGKSA-N 1 1 359.423 2.028 20 5 FEBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267007291 329282366 /nfs/dbraw/zinc/28/23/66/329282366.db2.gz GBTPFOSUNKTMDC-ZDUSSCGKSA-N 1 1 359.423 2.028 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267479892 329331776 /nfs/dbraw/zinc/33/17/76/329331776.db2.gz UYFCITZMXVVAKW-CZUORRHYSA-N 1 1 371.441 2.277 20 5 FEBDMO COc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c([N+](=O)[O-])cc1F ZINC000268151985 329390899 /nfs/dbraw/zinc/39/08/99/329390899.db2.gz GNUJCIHFZVEBSZ-AWEZNQCLSA-N 1 1 366.437 2.349 20 5 FEBDMO Cc1c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156095 329391294 /nfs/dbraw/zinc/39/12/94/329391294.db2.gz HDOIUUDXJNCSJY-YMTOWFKASA-N 1 1 362.386 2.332 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271711397 329717690 /nfs/dbraw/zinc/71/76/90/329717690.db2.gz JQFKICOJQPPKCK-CQSZACIVSA-N 1 1 350.419 2.020 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000272531811 329788971 /nfs/dbraw/zinc/78/89/71/329788971.db2.gz NCTXXXLLHWKDPE-IAGOWNOFSA-N 1 1 360.414 2.203 20 5 FEBDMO C[C@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCOCC1 ZINC000273975839 329906486 /nfs/dbraw/zinc/90/64/86/329906486.db2.gz SMUGSIRXANUAIY-CYBMUJFWSA-N 1 1 367.421 2.096 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](O)C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000275461972 330051517 /nfs/dbraw/zinc/05/15/17/330051517.db2.gz NLVWRUUSZCXOAU-HNNXBMFYSA-N 1 1 351.403 2.025 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276199025 330128312 /nfs/dbraw/zinc/12/83/12/330128312.db2.gz ILGZJISGHLAIMI-UHFFFAOYSA-N 1 1 350.400 2.105 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000291405360 330190933 /nfs/dbraw/zinc/19/09/33/330190933.db2.gz WRURYOOJRBYOIG-YOEHRIQHSA-N 1 1 374.441 2.038 20 5 FEBDMO COc1cc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000367234664 330234011 /nfs/dbraw/zinc/23/40/11/330234011.db2.gz RIXDBXIYDYJMAO-HOTGVXAUSA-N 1 1 355.394 2.431 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155556667 545542179 /nfs/dbraw/zinc/54/21/79/545542179.db2.gz LKLMVPAPMNZIOG-CZUORRHYSA-N 1 1 363.414 2.433 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000156016186 545592387 /nfs/dbraw/zinc/59/23/87/545592387.db2.gz IFODXLHFFODPMQ-IBGZPJMESA-N 1 1 369.421 2.467 20 5 FEBDMO O=C(CC[N@H+]1CC[C@H](Oc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000156352366 545620928 /nfs/dbraw/zinc/62/09/28/545620928.db2.gz MIBHCNCWVPQFJK-HNNXBMFYSA-N 1 1 356.382 2.472 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000477630471 561149845 /nfs/dbraw/zinc/14/98/45/561149845.db2.gz CIODUSZQEBNZAH-GFCCVEGCSA-N 1 1 353.806 2.394 20 5 FEBDMO CCOCCO[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000157661146 545766686 /nfs/dbraw/zinc/76/66/86/545766686.db2.gz LPDHIOVAPRCQKT-HNNXBMFYSA-N 1 1 362.386 2.272 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000157661146 545766689 /nfs/dbraw/zinc/76/66/89/545766689.db2.gz LPDHIOVAPRCQKT-HNNXBMFYSA-N 1 1 362.386 2.272 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000157800429 545786459 /nfs/dbraw/zinc/78/64/59/545786459.db2.gz FWSPAHBBCYQDFB-AWEZNQCLSA-N 1 1 351.403 2.051 20 5 FEBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000158604106 545875504 /nfs/dbraw/zinc/87/55/04/545875504.db2.gz RVMYNKOFFJRQEX-PKOBYXMFSA-N 1 1 369.421 2.208 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)COc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000159246895 545935543 /nfs/dbraw/zinc/93/55/43/545935543.db2.gz PAOWZFXDQSQCAZ-UHFFFAOYSA-N 1 1 356.382 2.026 20 5 FEBDMO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159843096 545985437 /nfs/dbraw/zinc/98/54/37/545985437.db2.gz SUZARQNKBUHLID-OAHLLOKOSA-N 1 1 373.384 2.491 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCOCC2)cc1OC(F)F ZINC000160407009 546037581 /nfs/dbraw/zinc/03/75/81/546037581.db2.gz YTLUXYUMNLXQKV-CYBMUJFWSA-N 1 1 357.357 2.497 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000161726093 546134035 /nfs/dbraw/zinc/13/40/35/546134035.db2.gz UHLYYAZAWYYDKZ-SMDDNHRTSA-N 1 1 353.444 2.156 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000161726093 546134039 /nfs/dbraw/zinc/13/40/39/546134039.db2.gz UHLYYAZAWYYDKZ-SMDDNHRTSA-N 1 1 353.444 2.156 20 5 FEBDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000162275859 546137391 /nfs/dbraw/zinc/13/73/91/546137391.db2.gz SCWHWNBUYMODMA-CYBMUJFWSA-N 1 1 363.414 2.249 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177031986 546527896 /nfs/dbraw/zinc/52/78/96/546527896.db2.gz OYHZJRNWPGENOF-BXUZGUMPSA-N 1 1 361.398 2.127 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[N@H+]1C1CC1 ZINC000177094499 546543959 /nfs/dbraw/zinc/54/39/59/546543959.db2.gz NIALHKMTZBCBHD-JSGCOSHPSA-N 1 1 355.398 2.136 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000179656207 546993262 /nfs/dbraw/zinc/99/32/62/546993262.db2.gz YZYQOQXQEUOVIN-HNNXBMFYSA-N 1 1 357.414 2.445 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000179656207 546993266 /nfs/dbraw/zinc/99/32/66/546993266.db2.gz YZYQOQXQEUOVIN-HNNXBMFYSA-N 1 1 357.414 2.445 20 5 FEBDMO CSc1ccc(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000179759320 547009558 /nfs/dbraw/zinc/00/95/58/547009558.db2.gz DOXYFFVUNVGEQV-UHFFFAOYSA-N 1 1 367.471 2.236 20 5 FEBDMO Cc1c([C@@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000482853422 561261394 /nfs/dbraw/zinc/26/13/94/561261394.db2.gz CSSCWDKRBFUAJE-OAHLLOKOSA-N 1 1 362.474 2.497 20 5 FEBDMO O=C(CCCC[NH+]1CCOCC1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000482879928 561262113 /nfs/dbraw/zinc/26/21/13/561262113.db2.gz JDVMCNAQRPVAMT-UHFFFAOYSA-N 1 1 369.849 2.409 20 5 FEBDMO Cn1cc([C@@H]2C[NH2+]CCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cn1 ZINC000181327027 547295004 /nfs/dbraw/zinc/29/50/04/547295004.db2.gz FZLQYBQSYUCGJM-AWEZNQCLSA-N 1 1 371.422 2.330 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)n1 ZINC000182844826 547560598 /nfs/dbraw/zinc/56/05/98/547560598.db2.gz KTLGJYHNUYILHV-NSHDSACASA-N 1 1 358.324 2.344 20 5 FEBDMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000484307146 561295886 /nfs/dbraw/zinc/29/58/86/561295886.db2.gz KSIWQUBTHARMSR-LJQANCHMSA-N 1 1 372.425 2.432 20 5 FEBDMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000484307146 561295887 /nfs/dbraw/zinc/29/58/87/561295887.db2.gz KSIWQUBTHARMSR-LJQANCHMSA-N 1 1 372.425 2.432 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183421852 547655486 /nfs/dbraw/zinc/65/54/86/547655486.db2.gz ZBFFERCFLABCGM-HNNXBMFYSA-N 1 1 369.487 2.321 20 5 FEBDMO Cc1cccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000183782428 547718793 /nfs/dbraw/zinc/71/87/93/547718793.db2.gz CZZPNUFCZWWGCJ-QGZVFWFLSA-N 1 1 369.421 2.400 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000183779439 547718842 /nfs/dbraw/zinc/71/88/42/547718842.db2.gz XAJCZWGBDXGEGM-GOSISDBHSA-N 1 1 355.394 2.091 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184318908 547806303 /nfs/dbraw/zinc/80/63/03/547806303.db2.gz ATYMXIOGVZBYSW-UTZKEFOASA-N 1 1 360.458 2.140 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC000484897805 561308116 /nfs/dbraw/zinc/30/81/16/561308116.db2.gz AGGAEHOWFNXJSN-ZOBUZTSGSA-N 1 1 352.431 2.472 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000184759352 547876141 /nfs/dbraw/zinc/87/61/41/547876141.db2.gz OBYWVITUQOWQSG-WMZOPIPTSA-N 1 1 363.458 2.391 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184937460 547903684 /nfs/dbraw/zinc/90/36/84/547903684.db2.gz LJLPMJDOVPXTCU-HNNXBMFYSA-N 1 1 369.425 2.166 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185055794 547924380 /nfs/dbraw/zinc/92/43/80/547924380.db2.gz LLAHRXBXWOTBGI-FOCLMDBBSA-N 1 1 360.458 2.142 20 5 FEBDMO CSc1cccc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000486212597 561341194 /nfs/dbraw/zinc/34/11/94/561341194.db2.gz GZAFEKJTYVGWDK-LBPRGKRZSA-N 1 1 353.444 2.157 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000487163928 561365227 /nfs/dbraw/zinc/36/52/27/561365227.db2.gz WXMLDPYNDBAZTN-KBPBESRZSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000487163928 561365228 /nfs/dbraw/zinc/36/52/28/561365228.db2.gz WXMLDPYNDBAZTN-KBPBESRZSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000245433082 548916885 /nfs/dbraw/zinc/91/68/85/548916885.db2.gz BQJNTZSBHOGNDS-DZGCQCFKSA-N 1 1 373.457 2.266 20 5 FEBDMO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000245433082 548916888 /nfs/dbraw/zinc/91/68/88/548916888.db2.gz BQJNTZSBHOGNDS-DZGCQCFKSA-N 1 1 373.457 2.266 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246051874 549042326 /nfs/dbraw/zinc/04/23/26/549042326.db2.gz VZZCERMFEXYGTL-DYVFJYSZSA-N 1 1 355.398 2.303 20 5 FEBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000246051874 549042330 /nfs/dbraw/zinc/04/23/30/549042330.db2.gz VZZCERMFEXYGTL-DYVFJYSZSA-N 1 1 355.398 2.303 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000246065351 549044432 /nfs/dbraw/zinc/04/44/32/549044432.db2.gz DPTKRTHNMONDTQ-DZGCQCFKSA-N 1 1 355.460 2.254 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246177976 549070731 /nfs/dbraw/zinc/07/07/31/549070731.db2.gz GVIAUUMTGUSRAI-SWLSCSKDSA-N 1 1 350.419 2.085 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246218192 549081727 /nfs/dbraw/zinc/08/17/27/549081727.db2.gz PTMOWNADTUXOSL-ZWNOBZJWSA-N 1 1 361.851 2.209 20 5 FEBDMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000246454249 549136294 /nfs/dbraw/zinc/13/62/94/549136294.db2.gz BZTCFVVIWWLIRN-HKUYNNGSSA-N 1 1 369.421 2.208 20 5 FEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762131 561396425 /nfs/dbraw/zinc/39/64/25/561396425.db2.gz CKXLHXROVAJKHN-MKBNYLNASA-N 1 1 357.414 2.410 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000247094847 549283101 /nfs/dbraw/zinc/28/31/01/549283101.db2.gz PRHJGLOBTPZFEA-DGCLKSJQSA-N 1 1 373.862 2.353 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248132125 549409007 /nfs/dbraw/zinc/40/90/07/549409007.db2.gz WRMVCACAYVZOOC-QAPCUYQASA-N 1 1 357.414 2.051 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248453445 549440648 /nfs/dbraw/zinc/44/06/48/549440648.db2.gz JZVJNGZNTWDYTE-YOEHRIQHSA-N 1 1 369.487 2.031 20 5 FEBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248463937 549445192 /nfs/dbraw/zinc/44/51/92/549445192.db2.gz QTCIURUHDLSIER-JKSUJKDBSA-N 1 1 374.441 2.023 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000248847569 549512419 /nfs/dbraw/zinc/51/24/19/549512419.db2.gz UXXDWUHKQYZITM-DOMZBBRYSA-N 1 1 357.414 2.131 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249149444 549561017 /nfs/dbraw/zinc/56/10/17/549561017.db2.gz XJPVCBQBWBJAOX-JSGCOSHPSA-N 1 1 363.414 2.363 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249627726 549612567 /nfs/dbraw/zinc/61/25/67/549612567.db2.gz QPRGCFQFURTXBC-UONOGXRCSA-N 1 1 355.460 2.315 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000253352804 549682766 /nfs/dbraw/zinc/68/27/66/549682766.db2.gz RIYDYGPAQLVPKR-CABCVRRESA-N 1 1 367.471 2.459 20 5 FEBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261691357 549743162 /nfs/dbraw/zinc/74/31/62/549743162.db2.gz IJAWDMBERCKQKE-CYBMUJFWSA-N 1 1 371.422 2.330 20 5 FEBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262103216 549788714 /nfs/dbraw/zinc/78/87/14/549788714.db2.gz ZKXZTFOVCCGSBH-QGZVFWFLSA-N 1 1 370.409 2.188 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC[N@H+]1C ZINC000490290323 561430453 /nfs/dbraw/zinc/43/04/53/561430453.db2.gz HXCSSAZHTIKACZ-OAHLLOKOSA-N 1 1 367.471 2.091 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)c1 ZINC000262375645 549815403 /nfs/dbraw/zinc/81/54/03/549815403.db2.gz XDTZWXSLQNMRGX-INIZCTEOSA-N 1 1 365.386 2.069 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000263686692 549919748 /nfs/dbraw/zinc/91/97/48/549919748.db2.gz ICROXEPNZSRBFC-SNVBAGLBSA-N 1 1 363.443 2.118 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000263686692 549919749 /nfs/dbraw/zinc/91/97/49/549919749.db2.gz ICROXEPNZSRBFC-SNVBAGLBSA-N 1 1 363.443 2.118 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000264048887 549972534 /nfs/dbraw/zinc/97/25/34/549972534.db2.gz AQWZFUZPMJIVSI-UHFFFAOYSA-N 1 1 371.459 2.023 20 5 FEBDMO Cc1nnc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268421282 550062996 /nfs/dbraw/zinc/06/29/96/550062996.db2.gz CPNCEZYDMNXJPZ-ZDUSSCGKSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1n[nH]c([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268421282 550062997 /nfs/dbraw/zinc/06/29/97/550062997.db2.gz CPNCEZYDMNXJPZ-ZDUSSCGKSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268421282 550063000 /nfs/dbraw/zinc/06/30/00/550063000.db2.gz CPNCEZYDMNXJPZ-ZDUSSCGKSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1nc([C@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268421282 550063002 /nfs/dbraw/zinc/06/30/02/550063002.db2.gz CPNCEZYDMNXJPZ-ZDUSSCGKSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1nc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268421282 550063003 /nfs/dbraw/zinc/06/30/03/550063003.db2.gz CPNCEZYDMNXJPZ-ZDUSSCGKSA-N 1 1 358.402 2.230 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000269147486 550160715 /nfs/dbraw/zinc/16/07/15/550160715.db2.gz QBLHMMYQYJMXBQ-WCQYABFASA-N 1 1 373.862 2.353 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000493573124 561456759 /nfs/dbraw/zinc/45/67/59/561456759.db2.gz NPGYFZYYMDWQAP-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)n1 ZINC000270852259 550313903 /nfs/dbraw/zinc/31/39/03/550313903.db2.gz YCBPIDOLBFVACJ-OAHLLOKOSA-N 1 1 357.414 2.113 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870958 550315877 /nfs/dbraw/zinc/31/58/77/550315877.db2.gz OCJPTJYNRXBODF-HKUYNNGSSA-N 1 1 369.421 2.208 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000270973275 550327187 /nfs/dbraw/zinc/32/71/87/550327187.db2.gz UFJWCUZTDJEDLX-DZGCQCFKSA-N 1 1 357.414 2.111 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328726 550438320 /nfs/dbraw/zinc/43/83/20/550438320.db2.gz LAHOKGBJXDGEJT-ZWNOBZJWSA-N 1 1 361.427 2.156 20 5 FEBDMO CC[NH+]1CCC(n2nccc2NC(=O)c2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC000272499302 550453448 /nfs/dbraw/zinc/45/34/48/550453448.db2.gz IDPWRHMFNRADFI-UHFFFAOYSA-N 1 1 359.386 2.406 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272698258 550466041 /nfs/dbraw/zinc/46/60/41/550466041.db2.gz YEYNZGRDEPRWBH-RDTXWAMCSA-N 1 1 358.442 2.361 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000272839216 550472903 /nfs/dbraw/zinc/47/29/03/550472903.db2.gz LSCMQWMRMCXDAK-UHFFFAOYSA-N 1 1 368.821 2.129 20 5 FEBDMO O=[N+]([O-])c1c(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nc2sccn21 ZINC000273204798 550489592 /nfs/dbraw/zinc/48/95/92/550489592.db2.gz OPGBUGOKHKMQIC-CQSZACIVSA-N 1 1 373.438 2.483 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000273457216 550499127 /nfs/dbraw/zinc/49/91/27/550499127.db2.gz MFWFZYTXKQQJKV-ZDUSSCGKSA-N 1 1 354.382 2.092 20 5 FEBDMO COc1ccc(NC(=O)CC[NH2+][C@H](C)c2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000273557620 550503046 /nfs/dbraw/zinc/50/30/46/550503046.db2.gz CSIDACKQMMYYSM-SECBINFHSA-N 1 1 365.415 2.443 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])cn3)C2)cc(OC)c1 ZINC000273953155 550517120 /nfs/dbraw/zinc/51/71/20/550517120.db2.gz MZQKVJORDLLMEK-ZDUSSCGKSA-N 1 1 359.386 2.088 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000277490319 550677068 /nfs/dbraw/zinc/67/70/68/550677068.db2.gz NRYFQLYFIFIFAI-MRXNPFEDSA-N 1 1 353.444 2.031 20 5 FEBDMO COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000278253811 550765760 /nfs/dbraw/zinc/76/57/60/550765760.db2.gz HOPNPSREEBRQGS-YQQAZPJKSA-N 1 1 352.431 2.310 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278768760 550820059 /nfs/dbraw/zinc/82/00/59/550820059.db2.gz OHANMGBMJWEALD-LBPRGKRZSA-N 1 1 350.375 2.193 20 5 FEBDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823332 550825979 /nfs/dbraw/zinc/82/59/79/550825979.db2.gz CMPYZMNZVLQXIX-JKSUJKDBSA-N 1 1 368.821 2.125 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278968553 550841569 /nfs/dbraw/zinc/84/15/69/550841569.db2.gz XOXUFAUYCDHNLL-CJNGLKHVSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278968553 550841570 /nfs/dbraw/zinc/84/15/70/550841570.db2.gz XOXUFAUYCDHNLL-CJNGLKHVSA-N 1 1 353.444 2.156 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279233850 550867733 /nfs/dbraw/zinc/86/77/33/550867733.db2.gz QONCXDPZCOCLCX-UHFFFAOYSA-N 1 1 363.393 2.467 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000279286909 550873933 /nfs/dbraw/zinc/87/39/33/550873933.db2.gz KSDAKYXSMHPBLO-YVEFUNNKSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279324196 550877596 /nfs/dbraw/zinc/87/75/96/550877596.db2.gz OJIOSCMORWEKMC-SJKOYZFVSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000279340906 550879620 /nfs/dbraw/zinc/87/96/20/550879620.db2.gz PQESDBANUJJEAW-YVEFUNNKSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(OC)C1 ZINC000279340906 550879621 /nfs/dbraw/zinc/87/96/21/550879621.db2.gz PQESDBANUJJEAW-YVEFUNNKSA-N 1 1 351.403 2.431 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000495471500 561488649 /nfs/dbraw/zinc/48/86/49/561488649.db2.gz YJLVLJNERPWBDK-UAGQMJEPSA-N 1 1 352.431 2.063 20 5 FEBDMO C[C@@H]1OCC[C@]12C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969343 550948258 /nfs/dbraw/zinc/94/82/58/550948258.db2.gz YUJKKLYQPZSVKY-GLJUWKHASA-N 1 1 363.414 2.192 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000281242991 551077374 /nfs/dbraw/zinc/07/73/74/551077374.db2.gz UPKBMPHOGFMGLM-MRXNPFEDSA-N 1 1 373.356 2.163 20 5 FEBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000283912013 551448615 /nfs/dbraw/zinc/44/86/15/551448615.db2.gz BWPVEOOGJRMYLF-AWEZNQCLSA-N 1 1 368.455 2.263 20 5 FEBDMO CCOc1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000498102656 561516106 /nfs/dbraw/zinc/51/61/06/561516106.db2.gz VPQFZAIJYKEISA-GFCCVEGCSA-N 1 1 363.414 2.216 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000498398424 561523953 /nfs/dbraw/zinc/52/39/53/561523953.db2.gz DQIJABVNDTVLOS-GASCZTMLSA-N 1 1 365.478 2.364 20 5 FEBDMO CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500004168 561563855 /nfs/dbraw/zinc/56/38/55/561563855.db2.gz KIPWJYLTJBSQTA-NVXWUHKLSA-N 1 1 371.441 2.475 20 5 FEBDMO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289205685 552282517 /nfs/dbraw/zinc/28/25/17/552282517.db2.gz BQCKFWCZWYHBNC-BLLLJJGKSA-N 1 1 366.805 2.201 20 5 FEBDMO C[C@H](CO)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289307808 552299250 /nfs/dbraw/zinc/29/92/50/552299250.db2.gz AVUPDMHPZZUILD-MRVPVSSYSA-N 1 1 350.156 2.012 20 5 FEBDMO COc1cc(C[N@H+](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000289488639 552329527 /nfs/dbraw/zinc/32/95/27/552329527.db2.gz RJOZXUDCDSVIAL-VIFPVBQESA-N 1 1 352.309 2.357 20 5 FEBDMO COc1cc(C[N@@H+](C)[C@@H](C)CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000289488639 552329528 /nfs/dbraw/zinc/32/95/28/552329528.db2.gz RJOZXUDCDSVIAL-VIFPVBQESA-N 1 1 352.309 2.357 20 5 FEBDMO CCC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000500491952 561574858 /nfs/dbraw/zinc/57/48/58/561574858.db2.gz PKFLKYKSGKPKEL-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000289725097 552368291 /nfs/dbraw/zinc/36/82/91/552368291.db2.gz ISMNBWODKZYPAA-IUODEOHRSA-N 1 1 353.394 2.038 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000289725097 552368294 /nfs/dbraw/zinc/36/82/94/552368294.db2.gz ISMNBWODKZYPAA-IUODEOHRSA-N 1 1 353.394 2.038 20 5 FEBDMO COc1cc(CN2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000289725097 552368296 /nfs/dbraw/zinc/36/82/96/552368296.db2.gz ISMNBWODKZYPAA-IUODEOHRSA-N 1 1 353.394 2.038 20 5 FEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289862312 552390535 /nfs/dbraw/zinc/39/05/35/552390535.db2.gz YOQGGWVONBVGAP-LLVKDONJSA-N 1 1 356.810 2.169 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000289868863 552392050 /nfs/dbraw/zinc/39/20/50/552392050.db2.gz RDVXWFQENNUMSN-IAOVAPTHSA-N 1 1 350.415 2.224 20 5 FEBDMO CC1(C)CN(C(=O)C2CC2)CC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500991031 561587279 /nfs/dbraw/zinc/58/72/79/561587279.db2.gz LFXHLDQIGDXFFY-UHFFFAOYSA-N 1 1 374.441 2.256 20 5 FEBDMO CC1(C)CN(C(=O)C2CC2)CC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000500991031 561587280 /nfs/dbraw/zinc/58/72/80/561587280.db2.gz LFXHLDQIGDXFFY-UHFFFAOYSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000292154870 552698954 /nfs/dbraw/zinc/69/89/54/552698954.db2.gz KHZVXRDFLRAXHY-YJBOKZPZSA-N 1 1 363.458 2.141 20 5 FEBDMO CC(C)([NH2+]CC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1[N+](=O)[O-] ZINC000292268755 552710698 /nfs/dbraw/zinc/71/06/98/552710698.db2.gz ZIDUPOHHQXVFDH-UHFFFAOYSA-N 1 1 371.393 2.465 20 5 FEBDMO C[N@H+]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C(C)(C)C1 ZINC000501634279 561602596 /nfs/dbraw/zinc/60/25/96/561602596.db2.gz YKWJTPNJWBSNJL-UHFFFAOYSA-N 1 1 358.398 2.074 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4cc([N+](=O)[O-])ccc34)[C@H]2C1 ZINC000293767403 552854492 /nfs/dbraw/zinc/85/44/92/552854492.db2.gz AMQIYBNIDUUKEK-DLBZAZTESA-N 1 1 358.398 2.011 20 5 FEBDMO O=C(CC[N@@H+]1CCO[C@@H](COCC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501966052 561608979 /nfs/dbraw/zinc/60/89/79/561608979.db2.gz GTNUNWUSQGIEBC-OAHLLOKOSA-N 1 1 363.414 2.051 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@@H](COCC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501966052 561608980 /nfs/dbraw/zinc/60/89/80/561608980.db2.gz GTNUNWUSQGIEBC-OAHLLOKOSA-N 1 1 363.414 2.051 20 5 FEBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000295620658 553035172 /nfs/dbraw/zinc/03/51/72/553035172.db2.gz OJQZAAOJCYJGGF-LSDHHAIUSA-N 1 1 355.394 2.255 20 5 FEBDMO C[C@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296683293 553197593 /nfs/dbraw/zinc/19/75/93/553197593.db2.gz XNKMKCTUAONYTC-ZNMIVQPWSA-N 1 1 364.446 2.454 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296921591 553229899 /nfs/dbraw/zinc/22/98/99/553229899.db2.gz MKOUCDVXZXPSKX-GFCCVEGCSA-N 1 1 368.409 2.217 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000298722919 553464183 /nfs/dbraw/zinc/46/41/83/553464183.db2.gz BEUXQUGFEYYXEH-HNNXBMFYSA-N 1 1 374.441 2.283 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000299113055 553516975 /nfs/dbraw/zinc/51/69/75/553516975.db2.gz WUUYXYVDDODTFL-IAGOWNOFSA-N 1 1 355.398 2.137 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000299192650 553527981 /nfs/dbraw/zinc/52/79/81/553527981.db2.gz DJOZJYVUAUKZRO-WFASDCNBSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000299321325 553547744 /nfs/dbraw/zinc/54/77/44/553547744.db2.gz HZHJNZVSUXOPKT-NSHDSACASA-N 1 1 352.822 2.355 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2[C@H](C)CCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000299505237 553572807 /nfs/dbraw/zinc/57/28/07/553572807.db2.gz BVERXEXAOPFLQS-CHWSQXEVSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1[nH]nc(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000299576133 553583805 /nfs/dbraw/zinc/58/38/05/553583805.db2.gz WSQZDPKCHAJTFC-UHFFFAOYSA-N 1 1 358.402 2.021 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000299581816 553584620 /nfs/dbraw/zinc/58/46/20/553584620.db2.gz HSFSTMPUJBBBHC-HOCLYGCPSA-N 1 1 374.441 2.093 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000301309798 553641031 /nfs/dbraw/zinc/64/10/31/553641031.db2.gz YDNPKXLGLBTKCV-AWEZNQCLSA-N 1 1 355.398 2.165 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000313341781 553757110 /nfs/dbraw/zinc/75/71/10/553757110.db2.gz GCSYYLIISVVONW-KRWDZBQOSA-N 1 1 361.423 2.238 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1F ZINC000326979562 553785039 /nfs/dbraw/zinc/78/50/39/553785039.db2.gz UDOYWCAHVMEJBB-YHWZYXNKSA-N 1 1 371.434 2.193 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505785903 561680729 /nfs/dbraw/zinc/68/07/29/561680729.db2.gz WUOZLTQPECVHGY-QWHCGFSZSA-N 1 1 353.394 2.097 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485278 554127773 /nfs/dbraw/zinc/12/77/73/554127773.db2.gz ARYCKTHKMACXOH-STQMWFEESA-N 1 1 371.459 2.002 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000330996643 554198980 /nfs/dbraw/zinc/19/89/80/554198980.db2.gz OUCUEDKFGPCSAG-HNNXBMFYSA-N 1 1 354.838 2.459 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000331225015 554233429 /nfs/dbraw/zinc/23/34/29/554233429.db2.gz XHTGZHSODQSKFP-VXGBXAGGSA-N 1 1 367.450 2.059 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000332013185 554363338 /nfs/dbraw/zinc/36/33/38/554363338.db2.gz PMRKIGYUJSSYSB-MFKMUULPSA-N 1 1 355.341 2.362 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000332225122 554404282 /nfs/dbraw/zinc/40/42/82/554404282.db2.gz BOTOTGFWLHIZTD-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000510721787 561844608 /nfs/dbraw/zinc/84/46/08/561844608.db2.gz VIXCNBOJBLZOJH-UHFFFAOYSA-N 1 1 373.456 2.392 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000360998881 554899777 /nfs/dbraw/zinc/89/97/77/554899777.db2.gz LTSLBKKICCCHFZ-UHFFFAOYSA-N 1 1 357.414 2.338 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000363064420 555022418 /nfs/dbraw/zinc/02/24/18/555022418.db2.gz ZXIVMPXAUYHPJT-UHFFFAOYSA-N 1 1 351.403 2.170 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000363187803 555048875 /nfs/dbraw/zinc/04/88/75/555048875.db2.gz SGEIEQLTJRUQHT-GFCCVEGCSA-N 1 1 363.414 2.359 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000363259322 555066432 /nfs/dbraw/zinc/06/64/32/555066432.db2.gz NBLBYRMDASOODF-IMJJTQAJSA-N 1 1 365.455 2.008 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000364052386 555241150 /nfs/dbraw/zinc/24/11/50/555241150.db2.gz BTSAUKXLQVWKDA-LBPRGKRZSA-N 1 1 359.835 2.107 20 5 FEBDMO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345057 555295558 /nfs/dbraw/zinc/29/55/58/555295558.db2.gz ZVBWPKVZCORNSH-WMZOPIPTSA-N 1 1 369.425 2.448 20 5 FEBDMO O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345057 555295559 /nfs/dbraw/zinc/29/55/59/555295559.db2.gz ZVBWPKVZCORNSH-WMZOPIPTSA-N 1 1 369.425 2.448 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc([N+](=O)[O-])c1C ZINC000364581408 555344573 /nfs/dbraw/zinc/34/45/73/555344573.db2.gz QHKQLYDTKNMWBP-XHSDSOJGSA-N 1 1 359.426 2.468 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@@H](c2nccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000512873715 561918605 /nfs/dbraw/zinc/91/86/05/561918605.db2.gz DSTOVEUMRUFPFP-QGZVFWFLSA-N 1 1 374.397 2.121 20 5 FEBDMO CCOc1cc(CN2CCC[N@@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000365179548 555503639 /nfs/dbraw/zinc/50/36/39/555503639.db2.gz JNBRQWNFNYWIOB-UHFFFAOYSA-N 1 1 351.447 2.272 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540004 555603296 /nfs/dbraw/zinc/60/32/96/555603296.db2.gz QIYLJPRKCHPRIH-ZTFGCOKTSA-N 1 1 361.442 2.143 20 5 FEBDMO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000513255380 561931163 /nfs/dbraw/zinc/93/11/63/561931163.db2.gz GGXHBOFFHIEHOK-WDEREUQCSA-N 1 1 353.325 2.359 20 5 FEBDMO C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365824159 555676061 /nfs/dbraw/zinc/67/60/61/555676061.db2.gz YQPJSBFGPSXRHI-GFCCVEGCSA-N 1 1 363.443 2.195 20 5 FEBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366074748 555743902 /nfs/dbraw/zinc/74/39/02/555743902.db2.gz UGBNMYONQFYFOX-YJBOKZPZSA-N 1 1 360.414 2.214 20 5 FEBDMO C[C@]1([C@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000366388818 555830581 /nfs/dbraw/zinc/83/05/81/555830581.db2.gz LLKQFWASGNFVQD-MEDUHNTESA-N 1 1 366.805 2.058 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513912624 561954209 /nfs/dbraw/zinc/95/42/09/561954209.db2.gz FVXVVGLDKRRRIK-INIZCTEOSA-N 1 1 371.441 2.359 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366555598 555875519 /nfs/dbraw/zinc/87/55/19/555875519.db2.gz FSJGAQLMWZBNCA-QWHCGFSZSA-N 1 1 365.434 2.160 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366555598 555875522 /nfs/dbraw/zinc/87/55/22/555875522.db2.gz FSJGAQLMWZBNCA-QWHCGFSZSA-N 1 1 365.434 2.160 20 5 FEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000366661377 555902439 /nfs/dbraw/zinc/90/24/39/555902439.db2.gz YXUMKKQAEPFUOF-IAGOWNOFSA-N 1 1 357.414 2.019 20 5 FEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cccnn2)CC1 ZINC000366663383 555902717 /nfs/dbraw/zinc/90/27/17/555902717.db2.gz PHUIIWWJKIJLJS-KRWDZBQOSA-N 1 1 357.414 2.019 20 5 FEBDMO CC1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]2O1 ZINC000366923271 555971448 /nfs/dbraw/zinc/97/14/48/555971448.db2.gz RWDIDIKZQGJXBU-CKEIUWERSA-N 1 1 350.415 2.366 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000367006733 555995407 /nfs/dbraw/zinc/99/54/07/555995407.db2.gz HCAFZBKJFUXEBQ-INIZCTEOSA-N 1 1 369.377 2.089 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000367006733 555995410 /nfs/dbraw/zinc/99/54/10/555995410.db2.gz HCAFZBKJFUXEBQ-INIZCTEOSA-N 1 1 369.377 2.089 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])c2cccnc12)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000367279770 556006506 /nfs/dbraw/zinc/00/65/06/556006506.db2.gz AEDNUCPJGUQZFB-ZDUSSCGKSA-N 1 1 372.450 2.406 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000367456289 556054973 /nfs/dbraw/zinc/05/49/73/556054973.db2.gz BGRKHYWTMLAMKI-MRXNPFEDSA-N 1 1 364.402 2.190 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000367456289 556054975 /nfs/dbraw/zinc/05/49/75/556054975.db2.gz BGRKHYWTMLAMKI-MRXNPFEDSA-N 1 1 364.402 2.190 20 5 FEBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368660735 556377352 /nfs/dbraw/zinc/37/73/52/556377352.db2.gz CUKCJGGIFSSOGU-QGZVFWFLSA-N 1 1 361.446 2.227 20 5 FEBDMO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368660735 556377355 /nfs/dbraw/zinc/37/73/55/556377355.db2.gz CUKCJGGIFSSOGU-QGZVFWFLSA-N 1 1 361.446 2.227 20 5 FEBDMO C[C@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@H+]1Cc1ccccc1 ZINC000368821972 556422523 /nfs/dbraw/zinc/42/25/23/556422523.db2.gz DEBXIWFELJFSGR-ZFWWWQNUSA-N 1 1 369.425 2.212 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H](CC(C)C)[NH+]1CCOCC1 ZINC000515578923 562015861 /nfs/dbraw/zinc/01/58/61/562015861.db2.gz XSLJHCPHPOYBEC-OAHLLOKOSA-N 1 1 364.446 2.113 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369062918 556493577 /nfs/dbraw/zinc/49/35/77/556493577.db2.gz IQAHNRGWVFTGFI-OAHLLOKOSA-N 1 1 374.441 2.222 20 5 FEBDMO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000369229097 556542222 /nfs/dbraw/zinc/54/22/22/556542222.db2.gz DIOKMESDTWSAMP-CYBMUJFWSA-N 1 1 356.382 2.159 20 5 FEBDMO Cn1ccnc1[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000369354446 556577603 /nfs/dbraw/zinc/57/76/03/556577603.db2.gz RTYKKLYEJXMUJV-LLVKDONJSA-N 1 1 354.370 2.224 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928982 556733429 /nfs/dbraw/zinc/73/34/29/556733429.db2.gz GBAQPGZPIWEXGJ-ZBFHGGJFSA-N 1 1 369.425 2.444 20 5 FEBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000370183441 556804587 /nfs/dbraw/zinc/80/45/87/556804587.db2.gz KYWLHCZIQSGDSL-MRXNPFEDSA-N 1 1 369.356 2.397 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1 ZINC000370423452 556868724 /nfs/dbraw/zinc/86/87/24/556868724.db2.gz ITBYMACLCSRILO-UHFFFAOYSA-N 1 1 357.414 2.364 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370900961 557008089 /nfs/dbraw/zinc/00/80/89/557008089.db2.gz UVGRFAAGEQTKAF-OAHLLOKOSA-N 1 1 374.441 2.400 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000370899913 557008484 /nfs/dbraw/zinc/00/84/84/557008484.db2.gz QITZNHHTBNUCOO-KRWDZBQOSA-N 1 1 374.441 2.400 20 5 FEBDMO O=C(CC[NH2+]Cc1nccc(C(F)F)n1)Nc1ccccc1[N+](=O)[O-] ZINC000517231412 562081127 /nfs/dbraw/zinc/08/11/27/562081127.db2.gz GAXFJNMQTUIWQO-UHFFFAOYSA-N 1 1 351.313 2.441 20 5 FEBDMO Cc1[nH+]c(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c2n1CCCC2 ZINC000371306708 557139537 /nfs/dbraw/zinc/13/95/37/557139537.db2.gz XJGHKPYIHOLEDT-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000517730603 562096567 /nfs/dbraw/zinc/09/65/67/562096567.db2.gz QUSBOIKOWVRSGM-GJZGRUSLSA-N 1 1 363.462 2.426 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@H](COC(C)C)C2)cccc1[N+](=O)[O-] ZINC000372121726 557384807 /nfs/dbraw/zinc/38/48/07/557384807.db2.gz WAOUQQYUNBTEED-HNNXBMFYSA-N 1 1 365.430 2.358 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@H](COC(C)C)C2)cccc1[N+](=O)[O-] ZINC000372121726 557384811 /nfs/dbraw/zinc/38/48/11/557384811.db2.gz WAOUQQYUNBTEED-HNNXBMFYSA-N 1 1 365.430 2.358 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000519004989 562123249 /nfs/dbraw/zinc/12/32/49/562123249.db2.gz BEADHULRAVJTMB-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000519004989 562123250 /nfs/dbraw/zinc/12/32/50/562123250.db2.gz BEADHULRAVJTMB-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000372288745 557430642 /nfs/dbraw/zinc/43/06/42/557430642.db2.gz UDLKIEFHQDFODB-UHFFFAOYSA-N 1 1 374.441 2.189 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000372497308 557485877 /nfs/dbraw/zinc/48/58/77/557485877.db2.gz PQNQXHUOYGJRAX-GOSISDBHSA-N 1 1 357.414 2.113 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000519488791 562132584 /nfs/dbraw/zinc/13/25/84/562132584.db2.gz QOODRURQNHCUKW-UHFFFAOYSA-N 1 1 355.460 2.446 20 5 FEBDMO Cc1c(CC(=O)NCC2([NH+]3CCOCC3)CCCC2)cccc1[N+](=O)[O-] ZINC000372763918 557557654 /nfs/dbraw/zinc/55/76/54/557557654.db2.gz GMMLVEVLDVAGQK-UHFFFAOYSA-N 1 1 361.442 2.207 20 5 FEBDMO Cc1ccc(CNC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373246076 557657708 /nfs/dbraw/zinc/65/77/08/557657708.db2.gz NRBXGNRJDAEOLO-UHFFFAOYSA-N 1 1 357.414 2.053 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000520224275 562151107 /nfs/dbraw/zinc/15/11/07/562151107.db2.gz XNHBVWRMBZABNQ-ZENOOKHLSA-N 1 1 365.405 2.448 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000520224275 562151108 /nfs/dbraw/zinc/15/11/08/562151108.db2.gz XNHBVWRMBZABNQ-ZENOOKHLSA-N 1 1 365.405 2.448 20 5 FEBDMO C[C@@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000373400644 557687325 /nfs/dbraw/zinc/68/73/25/557687325.db2.gz YUPJNEKGVCOFOR-YOEHRIQHSA-N 1 1 357.414 2.111 20 5 FEBDMO C[C@@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000373400644 557687326 /nfs/dbraw/zinc/68/73/26/557687326.db2.gz YUPJNEKGVCOFOR-YOEHRIQHSA-N 1 1 357.414 2.111 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](CO)C1 ZINC000374042284 557812994 /nfs/dbraw/zinc/81/29/94/557812994.db2.gz KXVYNCUDMOZGHV-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCC[C@@H](CO)C1 ZINC000374042284 557812995 /nfs/dbraw/zinc/81/29/95/557812995.db2.gz KXVYNCUDMOZGHV-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO O=C(C[NH+]1CCC(c2c[nH]cn2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000374207619 557843328 /nfs/dbraw/zinc/84/33/28/557843328.db2.gz JNZYOQFEAWPFLS-UHFFFAOYSA-N 1 1 355.398 2.087 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000374555455 557899329 /nfs/dbraw/zinc/89/93/29/557899329.db2.gz DEHVMWOPAKFYDO-HXUWFJFHSA-N 1 1 369.421 2.220 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374675143 557915539 /nfs/dbraw/zinc/91/55/39/557915539.db2.gz CYWMWCSTFYQHHQ-ZDUSSCGKSA-N 1 1 351.403 2.433 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000521170244 562170913 /nfs/dbraw/zinc/17/09/13/562170913.db2.gz HRRYUJNHWOWETK-HNNXBMFYSA-N 1 1 355.460 2.310 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](c2ccccc2)C1 ZINC000374767220 557928148 /nfs/dbraw/zinc/92/81/48/557928148.db2.gz NQCFJORONNKHND-CJNGLKHVSA-N 1 1 358.373 2.144 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000374855155 557941675 /nfs/dbraw/zinc/94/16/75/557941675.db2.gz YYLOWEJKTDHSCY-UHFFFAOYSA-N 1 1 373.413 2.126 20 5 FEBDMO C[C@H]1[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000375246582 557997937 /nfs/dbraw/zinc/99/79/37/557997937.db2.gz WKNAAHZGLBMKLT-CQSZACIVSA-N 1 1 368.455 2.260 20 5 FEBDMO C[C@H]1[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000375246582 557997939 /nfs/dbraw/zinc/99/79/39/557997939.db2.gz WKNAAHZGLBMKLT-CQSZACIVSA-N 1 1 368.455 2.260 20 5 FEBDMO CC(C)c1ccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000375529095 558043793 /nfs/dbraw/zinc/04/37/93/558043793.db2.gz YMHQBPKTRPOYNJ-SJORKVTESA-N 1 1 371.441 2.153 20 5 FEBDMO O=C(CC[N@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000376557643 558190325 /nfs/dbraw/zinc/19/03/25/558190325.db2.gz KOYITJCUGNGRNQ-QGZVFWFLSA-N 1 1 356.382 2.472 20 5 FEBDMO CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376799347 558222837 /nfs/dbraw/zinc/22/28/37/558222837.db2.gz PEVWXHCFFFWVMX-SFHVURJKSA-N 1 1 362.474 2.074 20 5 FEBDMO CN(CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000376799347 558222838 /nfs/dbraw/zinc/22/28/38/558222838.db2.gz PEVWXHCFFFWVMX-SFHVURJKSA-N 1 1 362.474 2.074 20 5 FEBDMO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@H+]1CCC[C@@H](C)C1 ZINC000521845362 562184748 /nfs/dbraw/zinc/18/47/48/562184748.db2.gz OAQHGEYTMLERQO-ZIAGYGMSSA-N 1 1 372.429 2.026 20 5 FEBDMO CN1CCC[C@@]2(CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)C1=O ZINC000377001288 558250361 /nfs/dbraw/zinc/25/03/61/558250361.db2.gz ZHUQUJGIXZQFIY-SFHVURJKSA-N 1 1 371.397 2.089 20 5 FEBDMO COc1ccccc1[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000521995811 562188495 /nfs/dbraw/zinc/18/84/95/562188495.db2.gz KLSLXAUWNGHOOP-KSSFIOAISA-N 1 1 372.381 2.133 20 5 FEBDMO O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@@H]1CCCc2[nH+]ccn21 ZINC000377783122 558418892 /nfs/dbraw/zinc/41/88/92/558418892.db2.gz QFMMUTYWOUMQFT-AWEZNQCLSA-N 1 1 352.354 2.698 20 5 FEBDMO CCCn1nc2c(cc1=O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000377837997 558432208 /nfs/dbraw/zinc/43/22/08/558432208.db2.gz UEIDVSNSJUFBKB-UHFFFAOYSA-N 1 1 372.425 2.389 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000522884229 562205491 /nfs/dbraw/zinc/20/54/91/562205491.db2.gz JTIRUEZPXIUGOP-MRXNPFEDSA-N 1 1 371.441 2.439 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000524872544 562236422 /nfs/dbraw/zinc/23/64/22/562236422.db2.gz NOTFPRMCYJNFNF-OLZOCXBDSA-N 1 1 371.459 2.097 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105928 562240589 /nfs/dbraw/zinc/24/05/89/562240589.db2.gz BYPVXSXDDJIIMZ-ZJUUUORDSA-N 1 1 373.356 2.417 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411132423 558842630 /nfs/dbraw/zinc/84/26/30/558842630.db2.gz JYXAQRUYBPOTKD-KBPBESRZSA-N 1 1 362.430 2.221 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411193915 558851488 /nfs/dbraw/zinc/85/14/88/558851488.db2.gz PQJPJHMSUHLPBM-OKZBNKHCSA-N 1 1 361.442 2.171 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000411313137 558874666 /nfs/dbraw/zinc/87/46/66/558874666.db2.gz AADRBEYRJVFPAT-BBRMVZONSA-N 1 1 363.414 2.433 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000411419317 558891414 /nfs/dbraw/zinc/89/14/14/558891414.db2.gz KGTBGOVRKVXVJK-DZGCQCFKSA-N 1 1 362.430 2.030 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000525501285 562249504 /nfs/dbraw/zinc/24/95/04/562249504.db2.gz VQIBJVAKBQNQTK-OCCSQVGLSA-N 1 1 363.414 2.311 20 5 FEBDMO C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000411978217 558998633 /nfs/dbraw/zinc/99/86/33/558998633.db2.gz AMMTVFWQOOYMJW-HNNXBMFYSA-N 1 1 368.437 2.400 20 5 FEBDMO Cc1nnc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000412041388 559005287 /nfs/dbraw/zinc/00/52/87/559005287.db2.gz MROKHECDRWFGIG-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000412041388 559005289 /nfs/dbraw/zinc/00/52/89/559005289.db2.gz MROKHECDRWFGIG-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000412041388 559005290 /nfs/dbraw/zinc/00/52/90/559005290.db2.gz MROKHECDRWFGIG-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000412041388 559005293 /nfs/dbraw/zinc/00/52/93/559005293.db2.gz MROKHECDRWFGIG-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000412041388 559005295 /nfs/dbraw/zinc/00/52/95/559005295.db2.gz MROKHECDRWFGIG-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000412053114 559006989 /nfs/dbraw/zinc/00/69/89/559006989.db2.gz ZAMXKWBMIYBQNR-MJBXVCDLSA-N 1 1 363.414 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000412053114 559006990 /nfs/dbraw/zinc/00/69/90/559006990.db2.gz ZAMXKWBMIYBQNR-MJBXVCDLSA-N 1 1 363.414 2.025 20 5 FEBDMO CCOc1cc(C[N@@H+]2CCSC[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000412083753 559011448 /nfs/dbraw/zinc/01/14/48/559011448.db2.gz SKLQTUASBVXVCZ-ZDUSSCGKSA-N 1 1 354.428 2.332 20 5 FEBDMO CCOc1cc(C[N@H+]2CCSC[C@@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000412083753 559011449 /nfs/dbraw/zinc/01/14/49/559011449.db2.gz SKLQTUASBVXVCZ-ZDUSSCGKSA-N 1 1 354.428 2.332 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 ZINC000412119918 559015521 /nfs/dbraw/zinc/01/55/21/559015521.db2.gz DGNYBHLNFCCRLX-UHFFFAOYSA-N 1 1 365.430 2.176 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1F ZINC000412279301 559024614 /nfs/dbraw/zinc/02/46/14/559024614.db2.gz AMQLJNGJQSQQRT-AWEZNQCLSA-N 1 1 353.394 2.084 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1F ZINC000412289091 559025257 /nfs/dbraw/zinc/02/52/57/559025257.db2.gz GWJFJYUYIQUACR-ZDUSSCGKSA-N 1 1 365.405 2.418 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1F ZINC000412336686 559028861 /nfs/dbraw/zinc/02/88/61/559028861.db2.gz LCSLVVWVDBAIAZ-FUNVUKJBSA-N 1 1 365.405 2.369 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1F ZINC000412361311 559030790 /nfs/dbraw/zinc/03/07/90/559030790.db2.gz KWFKZFUUFDQVFL-GOSISDBHSA-N 1 1 365.405 2.229 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000412382858 559032364 /nfs/dbraw/zinc/03/23/64/559032364.db2.gz IBHGJDKCUZAVOO-AWEZNQCLSA-N 1 1 370.409 2.290 20 5 FEBDMO CCOc1cccc(NCC2([NH+]3CCOCC3)CCOCC2)c1[N+](=O)[O-] ZINC000413418985 559106662 /nfs/dbraw/zinc/10/66/62/559106662.db2.gz YERDFCJQTDUDPM-UHFFFAOYSA-N 1 1 365.430 2.287 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000413503555 559112518 /nfs/dbraw/zinc/11/25/18/559112518.db2.gz PDNIICPCZCVFHR-TZMCWYRMSA-N 1 1 367.421 2.474 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000414454696 559165030 /nfs/dbraw/zinc/16/50/30/559165030.db2.gz AEIYAGJSRNFUAL-LLVKDONJSA-N 1 1 366.443 2.331 20 5 FEBDMO Cc1c(NC(=O)NCC(F)(F)C[NH3+])cc(Br)cc1[N+](=O)[O-] ZINC000415667199 559259939 /nfs/dbraw/zinc/25/99/39/559259939.db2.gz XXPZHMSFPFJYQA-UHFFFAOYSA-N 1 1 367.150 2.381 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416304447 559304538 /nfs/dbraw/zinc/30/45/38/559304538.db2.gz HYADZUZKEUKKFP-HLLBOEOZSA-N 1 1 363.458 2.077 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416304447 559304539 /nfs/dbraw/zinc/30/45/39/559304539.db2.gz HYADZUZKEUKKFP-HLLBOEOZSA-N 1 1 363.458 2.077 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416410093 559310887 /nfs/dbraw/zinc/31/08/87/559310887.db2.gz WKYAWFDGLOXUNI-KBPBESRZSA-N 1 1 355.460 2.315 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC000419281373 559435178 /nfs/dbraw/zinc/43/51/78/559435178.db2.gz BDPLUGSXPQPCSC-HOCLYGCPSA-N 1 1 366.368 2.138 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323666 559480535 /nfs/dbraw/zinc/48/05/35/559480535.db2.gz GQAFXCFTOSLENP-CABCVRRESA-N 1 1 357.414 2.466 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402125 559485729 /nfs/dbraw/zinc/48/57/29/559485729.db2.gz QGGKEEZZYOLKRN-ZBFHGGJFSA-N 1 1 374.441 2.357 20 5 FEBDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000420467530 559489117 /nfs/dbraw/zinc/48/91/17/559489117.db2.gz YIGCRIFGZCEVHU-UHFFFAOYSA-N 1 1 353.425 2.263 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000420480499 559489816 /nfs/dbraw/zinc/48/98/16/559489816.db2.gz OUTUJCXIRCLRCH-QGZVFWFLSA-N 1 1 361.423 2.071 20 5 FEBDMO CCCN1C[C@@H](C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421355810 559540015 /nfs/dbraw/zinc/54/00/15/559540015.db2.gz VHCCIPSWKYCEEH-RDTXWAMCSA-N 1 1 371.441 2.266 20 5 FEBDMO Cc1c([C@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423374032 559626995 /nfs/dbraw/zinc/62/69/95/559626995.db2.gz CFKIUGFEUJQKSU-SWLSCSKDSA-N 1 1 360.380 2.390 20 5 FEBDMO CCOc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000425051894 559685377 /nfs/dbraw/zinc/68/53/77/559685377.db2.gz UKOVRPQJFIVSQP-SWLSCSKDSA-N 1 1 363.414 2.168 20 5 FEBDMO CC(C)CCC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000428940801 559786317 /nfs/dbraw/zinc/78/63/17/559786317.db2.gz RSTVKVTWJZNRCH-UHFFFAOYSA-N 1 1 355.460 2.337 20 5 FEBDMO CC(C)[NH+]1CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000430432050 559819964 /nfs/dbraw/zinc/81/99/64/559819964.db2.gz PXPKZIZZPOFGHZ-UHFFFAOYSA-N 1 1 356.220 2.109 20 5 FEBDMO COC[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCCO1 ZINC000432638770 559862213 /nfs/dbraw/zinc/86/22/13/559862213.db2.gz OZOVISYKMMNSIR-BYCMXARLSA-N 1 1 362.386 2.489 20 5 FEBDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000434909751 559912149 /nfs/dbraw/zinc/91/21/49/559912149.db2.gz PXGKAULAPIMZIR-RBUKOAKNSA-N 1 1 358.442 2.497 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC[S@](=O)c3ccccc3)C2)nc1 ZINC000440502139 560012587 /nfs/dbraw/zinc/01/25/87/560012587.db2.gz GMYOFUKVVFJEKT-PWECECGKSA-N 1 1 360.439 2.284 20 5 FEBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000440511748 560013167 /nfs/dbraw/zinc/01/31/67/560013167.db2.gz ZMOQIUCDPHMVJO-LJQANCHMSA-N 1 1 373.384 2.101 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000440516866 560013413 /nfs/dbraw/zinc/01/34/13/560013413.db2.gz RTNXSHVHXMDKIE-HXUWFJFHSA-N 1 1 369.421 2.270 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441203441 560026279 /nfs/dbraw/zinc/02/62/79/560026279.db2.gz GQIGYGFHKAAZAI-ZIAGYGMSSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441203441 560026280 /nfs/dbraw/zinc/02/62/80/560026280.db2.gz GQIGYGFHKAAZAI-ZIAGYGMSSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000441381179 560030500 /nfs/dbraw/zinc/03/05/00/560030500.db2.gz IPKKSQGTTZFDDD-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000527444843 562288047 /nfs/dbraw/zinc/28/80/47/562288047.db2.gz RDTWUPXJAHXWPE-IYBDPMFKSA-N 1 1 354.410 2.137 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000442554308 560052813 /nfs/dbraw/zinc/05/28/13/560052813.db2.gz UMVKJMNMBSSMKZ-VBQJREDUSA-N 1 1 374.441 2.397 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000443376847 560082537 /nfs/dbraw/zinc/08/25/37/560082537.db2.gz WXSWIIPMGYNPPR-TZMCWYRMSA-N 1 1 362.430 2.173 20 5 FEBDMO Cc1sc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000443981569 560098266 /nfs/dbraw/zinc/09/82/66/560098266.db2.gz PEPBTTQAWQVUQL-UHFFFAOYSA-N 1 1 361.489 2.365 20 5 FEBDMO Cc1sc(S(=O)(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000443981569 560098268 /nfs/dbraw/zinc/09/82/68/560098268.db2.gz PEPBTTQAWQVUQL-UHFFFAOYSA-N 1 1 361.489 2.365 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000444922745 560124804 /nfs/dbraw/zinc/12/48/04/560124804.db2.gz PIFRCYQANMZISZ-CQSZACIVSA-N 1 1 366.418 2.082 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000445030713 560127037 /nfs/dbraw/zinc/12/70/37/560127037.db2.gz LTAAGWIWDGKYMV-GFCCVEGCSA-N 1 1 360.418 2.002 20 5 FEBDMO COCCCN1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543755 560164225 /nfs/dbraw/zinc/16/42/25/560164225.db2.gz SCGVKJDQYHTJHH-DLBZAZTESA-N 1 1 365.478 2.366 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448709898 560195679 /nfs/dbraw/zinc/19/56/79/560195679.db2.gz RVECXYBLSINJSB-YOEHRIQHSA-N 1 1 355.398 2.342 20 5 FEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000449293011 560223949 /nfs/dbraw/zinc/22/39/49/560223949.db2.gz SXNWXBCHTQJGOW-AWEZNQCLSA-N 1 1 368.437 2.481 20 5 FEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000449293011 560223950 /nfs/dbraw/zinc/22/39/50/560223950.db2.gz SXNWXBCHTQJGOW-AWEZNQCLSA-N 1 1 368.437 2.481 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450022134 560248200 /nfs/dbraw/zinc/24/82/00/560248200.db2.gz KCRUDKMOJXOWLN-HNNXBMFYSA-N 1 1 357.414 2.337 20 5 FEBDMO C[C@H]([N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)(C)O ZINC000451366079 560302791 /nfs/dbraw/zinc/30/27/91/560302791.db2.gz ZHPPZYXMKOXZIB-VIFPVBQESA-N 1 1 374.235 2.387 20 5 FEBDMO CC(C)[C@@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@H+]1C ZINC000451381124 560303483 /nfs/dbraw/zinc/30/34/83/560303483.db2.gz YZCOOIIDJLMRRO-KRWDZBQOSA-N 1 1 357.414 2.397 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@](O)(C(F)F)C3)o2)c1 ZINC000451433782 560306856 /nfs/dbraw/zinc/30/68/56/560306856.db2.gz PFXDWTXONNJHJJ-INIZCTEOSA-N 1 1 353.325 2.494 20 5 FEBDMO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549677 560314180 /nfs/dbraw/zinc/31/41/80/560314180.db2.gz QBTIQQSGQLOMRH-ZBFHGGJFSA-N 1 1 367.471 2.056 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882285 560334273 /nfs/dbraw/zinc/33/42/73/560334273.db2.gz CMUPSPDAHFIIGL-QMTHXVAHSA-N 1 1 361.320 2.169 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451902929 560335927 /nfs/dbraw/zinc/33/59/27/560335927.db2.gz IOECPUIPBIQTDV-QMTHXVAHSA-N 1 1 364.320 2.227 20 5 FEBDMO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000451942812 560339782 /nfs/dbraw/zinc/33/97/82/560339782.db2.gz GIXINTQGYDVFNI-QMTHXVAHSA-N 1 1 362.329 2.098 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452136365 560353532 /nfs/dbraw/zinc/35/35/32/560353532.db2.gz YDOHRHNTHPUXOM-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452136365 560353533 /nfs/dbraw/zinc/35/35/33/560353533.db2.gz YDOHRHNTHPUXOM-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000453994111 560420357 /nfs/dbraw/zinc/42/03/57/560420357.db2.gz JXANJUIHRULDMQ-ZDUSSCGKSA-N 1 1 362.430 2.093 20 5 FEBDMO C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000455030520 560467964 /nfs/dbraw/zinc/46/79/64/560467964.db2.gz DFLKCQWOWKMXBZ-OAHLLOKOSA-N 1 1 369.425 2.398 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000455084103 560469587 /nfs/dbraw/zinc/46/95/87/560469587.db2.gz NHNLBNZFJBRAJU-UHFFFAOYSA-N 1 1 363.462 2.441 20 5 FEBDMO CNc1nc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000456000224 560503919 /nfs/dbraw/zinc/50/39/19/560503919.db2.gz QVMBWRYMORTWFD-DOMZBBRYSA-N 1 1 359.430 2.120 20 5 FEBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000457010344 560543775 /nfs/dbraw/zinc/54/37/75/560543775.db2.gz FDJUSKQJTAVVGR-CQSZACIVSA-N 1 1 355.350 2.110 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000457062435 560546272 /nfs/dbraw/zinc/54/62/72/560546272.db2.gz VCJPGDRNSOUFEI-UHFFFAOYSA-N 1 1 367.471 2.283 20 5 FEBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000457117760 560550489 /nfs/dbraw/zinc/55/04/89/560550489.db2.gz MLGFSCTWAVBROZ-GFCCVEGCSA-N 1 1 351.403 2.167 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000458219137 560609690 /nfs/dbraw/zinc/60/96/90/560609690.db2.gz OPCDLMFPLCAGAW-CYBMUJFWSA-N 1 1 367.471 2.141 20 5 FEBDMO CC[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514620 560628675 /nfs/dbraw/zinc/62/86/75/560628675.db2.gz RDSLLUHZOHEBQD-DLBZAZTESA-N 1 1 364.446 2.192 20 5 FEBDMO C[C@@H](C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459808305 560709845 /nfs/dbraw/zinc/70/98/45/560709845.db2.gz OOAIXQPHAWEHTB-ZDUSSCGKSA-N 1 1 365.430 2.467 20 5 FEBDMO C[C@@H](C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459808305 560709846 /nfs/dbraw/zinc/70/98/46/560709846.db2.gz OOAIXQPHAWEHTB-ZDUSSCGKSA-N 1 1 365.430 2.467 20 5 FEBDMO C[NH+](C)CCN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000461964603 560790135 /nfs/dbraw/zinc/79/01/35/560790135.db2.gz VLRNSOXRETXFCT-UHFFFAOYSA-N 1 1 361.489 2.370 20 5 FEBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000462008940 560792137 /nfs/dbraw/zinc/79/21/37/560792137.db2.gz KPZQXOBRPJALNO-ZDUSSCGKSA-N 1 1 350.419 2.096 20 5 FEBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000467293223 560908000 /nfs/dbraw/zinc/90/80/00/560908000.db2.gz IPQTZNCCSQNBIV-IFIJOSMWSA-N 1 1 364.398 2.256 20 5 FEBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000467293223 560908001 /nfs/dbraw/zinc/90/80/01/560908001.db2.gz IPQTZNCCSQNBIV-IFIJOSMWSA-N 1 1 364.398 2.256 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724299 560915964 /nfs/dbraw/zinc/91/59/64/560915964.db2.gz RWHCHRDSYYAAOE-YOEHRIQHSA-N 1 1 372.469 2.410 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468151192 560923748 /nfs/dbraw/zinc/92/37/48/560923748.db2.gz WZMJXGHAOFQGIV-SFHVURJKSA-N 1 1 354.410 2.397 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000468151192 560923749 /nfs/dbraw/zinc/92/37/49/560923749.db2.gz WZMJXGHAOFQGIV-SFHVURJKSA-N 1 1 354.410 2.397 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000469057720 560945992 /nfs/dbraw/zinc/94/59/92/560945992.db2.gz UHKUIRSBWROVNH-CHWSQXEVSA-N 1 1 371.459 2.145 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470124848 560974833 /nfs/dbraw/zinc/97/48/33/560974833.db2.gz JPPOUFLBAIZZLL-UHFFFAOYSA-N 1 1 367.425 2.272 20 5 FEBDMO CC[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000470129808 560974857 /nfs/dbraw/zinc/97/48/57/560974857.db2.gz AOIFOWRIDSHVPE-WBMJQRKESA-N 1 1 366.393 2.308 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N=c1cc[nH]c2cc[nH+]cc21 ZINC000471502964 561005965 /nfs/dbraw/zinc/00/59/65/561005965.db2.gz CYWNTNGVTSVTLP-UHFFFAOYSA-N 1 1 358.379 2.378 20 5 FEBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471525688 561006432 /nfs/dbraw/zinc/00/64/32/561006432.db2.gz AHRQZZGISBKWAH-VIFPVBQESA-N 1 1 354.823 2.338 20 5 FEBDMO CCC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)(C)O ZINC000474231546 561068957 /nfs/dbraw/zinc/06/89/57/561068957.db2.gz MJVFLAATCUUAMS-UHFFFAOYSA-N 1 1 351.403 2.376 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000474583920 561077425 /nfs/dbraw/zinc/07/74/25/561077425.db2.gz RRUBNUZSQDTRJT-AWEZNQCLSA-N 1 1 355.460 2.363 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000475097278 561090379 /nfs/dbraw/zinc/09/03/79/561090379.db2.gz YUKSSYMNGBJKGQ-GOEBONIOSA-N 1 1 366.414 2.130 20 5 FEBDMO COC(=O)COc1ccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)cc1[N+](=O)[O-] ZINC000530500136 562413704 /nfs/dbraw/zinc/41/37/04/562413704.db2.gz SEJGTQRGHSVUCN-VXGBXAGGSA-N 1 1 354.428 2.472 20 5 FEBDMO COC(=O)COc1ccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000530500134 562413769 /nfs/dbraw/zinc/41/37/69/562413769.db2.gz SEJGTQRGHSVUCN-RYUDHWBXSA-N 1 1 354.428 2.472 20 5 FEBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CCN(C2CC2)C1 ZINC000533440829 562508743 /nfs/dbraw/zinc/50/87/43/562508743.db2.gz JQLQCTJEPXBMON-HNNXBMFYSA-N 1 1 360.414 2.061 20 5 FEBDMO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000533440829 562508744 /nfs/dbraw/zinc/50/87/44/562508744.db2.gz JQLQCTJEPXBMON-HNNXBMFYSA-N 1 1 360.414 2.061 20 5 FEBDMO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CC[N@H+](C2CC2)C1 ZINC000533440829 562508745 /nfs/dbraw/zinc/50/87/45/562508745.db2.gz JQLQCTJEPXBMON-HNNXBMFYSA-N 1 1 360.414 2.061 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000533447331 562509068 /nfs/dbraw/zinc/50/90/68/562509068.db2.gz JSCSWVLUYUHFAY-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000536536694 562578161 /nfs/dbraw/zinc/57/81/61/562578161.db2.gz LAXZDGYJVQAOEU-LLVKDONJSA-N 1 1 371.426 2.232 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1nn(C)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000536805918 562580737 /nfs/dbraw/zinc/58/07/37/562580737.db2.gz JSGCOTIIXMWFHM-INIZCTEOSA-N 1 1 371.441 2.141 20 5 FEBDMO C[C@@H]1C[NH+](CCOC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@@H](C)O1 ZINC000536894368 562582074 /nfs/dbraw/zinc/58/20/74/562582074.db2.gz UZCYJDHRGCSHLC-HUUCEWRRSA-N 1 1 364.446 2.084 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000541315762 562608780 /nfs/dbraw/zinc/60/87/80/562608780.db2.gz QGIKKHLQNBXISQ-CYBMUJFWSA-N 1 1 350.419 2.133 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000541821383 562620624 /nfs/dbraw/zinc/62/06/24/562620624.db2.gz YTGDJEFTCVGRNI-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000541975388 562624844 /nfs/dbraw/zinc/62/48/44/562624844.db2.gz NKPPOKOVOAIIPB-SFHVURJKSA-N 1 1 373.384 2.231 20 5 FEBDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000601850573 567860180 /nfs/dbraw/zinc/86/01/80/567860180.db2.gz PXNDUWOXSRTARS-INIZCTEOSA-N 1 1 371.441 2.226 20 5 FEBDMO Cn1cc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])n1 ZINC000602653530 568005779 /nfs/dbraw/zinc/00/57/79/568005779.db2.gz MYMBLUWUGBBQOU-UHFFFAOYSA-N 1 1 351.357 2.319 20 5 FEBDMO Cn1cc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c([N+](=O)[O-])n1 ZINC000602653530 568005781 /nfs/dbraw/zinc/00/57/81/568005781.db2.gz MYMBLUWUGBBQOU-UHFFFAOYSA-N 1 1 351.357 2.319 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000181915856 568203892 /nfs/dbraw/zinc/20/38/92/568203892.db2.gz HSHJOQPQTWCEKT-HNNXBMFYSA-N 1 1 350.415 2.370 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000181915856 568203893 /nfs/dbraw/zinc/20/38/93/568203893.db2.gz HSHJOQPQTWCEKT-HNNXBMFYSA-N 1 1 350.415 2.370 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738368687 598253800 /nfs/dbraw/zinc/25/38/00/598253800.db2.gz IOYHLNMTYCTWEQ-UHFFFAOYSA-N 1 1 365.397 2.097 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000557494482 674451057 /nfs/dbraw/zinc/45/10/57/674451057.db2.gz ZKJRJCCHGIFCSE-YPMHNXCESA-N 1 1 350.419 2.617 20 5 FEBDMO C[N@@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000821628795 599316133 /nfs/dbraw/zinc/31/61/33/599316133.db2.gz QXXCSMPYTRLGOZ-KRWDZBQOSA-N 1 1 365.397 2.268 20 5 FEBDMO C[N@H+]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000821628795 599316134 /nfs/dbraw/zinc/31/61/34/599316134.db2.gz QXXCSMPYTRLGOZ-KRWDZBQOSA-N 1 1 365.397 2.268 20 5 FEBDMO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810072512 674529626 /nfs/dbraw/zinc/52/96/26/674529626.db2.gz HRSBPFUUMYJWKT-HNNXBMFYSA-N 1 1 351.403 2.179 20 5 FEBDMO C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810072512 674529628 /nfs/dbraw/zinc/52/96/28/674529628.db2.gz HRSBPFUUMYJWKT-HNNXBMFYSA-N 1 1 351.403 2.179 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000826052656 607935711 /nfs/dbraw/zinc/93/57/11/607935711.db2.gz RKMMWHWJKYIHAQ-MRXNPFEDSA-N 1 1 351.370 2.374 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000561130151 674640321 /nfs/dbraw/zinc/64/03/21/674640321.db2.gz NRJFYMUUFAPIMR-UHFFFAOYSA-N 1 1 350.419 2.333 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000561733959 674694496 /nfs/dbraw/zinc/69/44/96/674694496.db2.gz KVHCTOIWDPBLGJ-LBPRGKRZSA-N 1 1 359.448 2.002 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857745 675069110 /nfs/dbraw/zinc/06/91/10/675069110.db2.gz XXLPJTLFAFBHBM-XHSDSOJGSA-N 1 1 351.447 2.187 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857745 675069114 /nfs/dbraw/zinc/06/91/14/675069114.db2.gz XXLPJTLFAFBHBM-XHSDSOJGSA-N 1 1 351.447 2.187 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC2)cn1 ZINC000026597313 670071928 /nfs/dbraw/zinc/07/19/28/670071928.db2.gz USAUOKRYUXFQBC-MRXNPFEDSA-N 1 1 362.817 2.499 20 5 FEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000564957305 675081442 /nfs/dbraw/zinc/08/14/42/675081442.db2.gz MSKXJKBGTDMFCC-MRXNPFEDSA-N 1 1 364.402 2.492 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000047147848 670235003 /nfs/dbraw/zinc/23/50/03/670235003.db2.gz NKGPHDPLRYPRTG-LLVKDONJSA-N 1 1 350.375 2.273 20 5 FEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000067393827 670457436 /nfs/dbraw/zinc/45/74/36/670457436.db2.gz WXMXTIKJQYXDIJ-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000068117097 670466513 /nfs/dbraw/zinc/46/65/13/670466513.db2.gz RNUBGSFDYLERHT-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000575429999 671313064 /nfs/dbraw/zinc/31/30/64/671313064.db2.gz KTITWJLEJHTTGU-CYBMUJFWSA-N 1 1 352.410 2.101 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576580861 671379212 /nfs/dbraw/zinc/37/92/12/671379212.db2.gz KACTWEMMENLOTJ-OAGGEKHMSA-N 1 1 350.415 2.226 20 5 FEBDMO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842285 671887933 /nfs/dbraw/zinc/88/79/33/671887933.db2.gz IQMDPNWTBLAFDA-GFCCVEGCSA-N 1 1 354.838 2.460 20 5 FEBDMO CCCC[NH+]1CCC(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581424975 671895277 /nfs/dbraw/zinc/89/52/77/671895277.db2.gz QLHRBFVRPIZKTB-QGZVFWFLSA-N 1 1 351.447 2.189 20 5 FEBDMO CCCCN1CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581424975 671895281 /nfs/dbraw/zinc/89/52/81/671895281.db2.gz QLHRBFVRPIZKTB-QGZVFWFLSA-N 1 1 351.447 2.189 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000121483483 671950528 /nfs/dbraw/zinc/95/05/28/671950528.db2.gz KNXXHXLNUXOWHS-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000121483483 671950532 /nfs/dbraw/zinc/95/05/32/671950532.db2.gz KNXXHXLNUXOWHS-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123978728 671988707 /nfs/dbraw/zinc/98/87/07/671988707.db2.gz YHVLZBHERYQNMW-MNOVXSKESA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123978728 671988712 /nfs/dbraw/zinc/98/87/12/671988712.db2.gz YHVLZBHERYQNMW-MNOVXSKESA-N 1 1 373.862 2.460 20 5 FEBDMO COC(=O)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000610371986 675968003 /nfs/dbraw/zinc/96/80/03/675968003.db2.gz VHDYEYVGOJBQNC-UHFFFAOYSA-N 1 1 352.387 2.018 20 5 FEBDMO C[C@@H]1C[N@H+](CCC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000610542495 675978949 /nfs/dbraw/zinc/97/89/49/675978949.db2.gz ZYWIVHAAEBOVFC-OKILXGFUSA-N 1 1 351.451 2.044 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000611201666 676024522 /nfs/dbraw/zinc/02/45/22/676024522.db2.gz WTJUFBQJDJQXKT-GFCCVEGCSA-N 1 1 353.444 2.157 20 5 FEBDMO CC[N@@H+](C[C@H]1CCOC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205224 676024825 /nfs/dbraw/zinc/02/48/25/676024825.db2.gz OPSSESXCCBBKRK-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCOC1 ZINC000611205378 676025006 /nfs/dbraw/zinc/02/50/06/676025006.db2.gz ZSPDXQYRCSVJRS-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCS[C@H]3COCC[C@@H]31)OCCO2 ZINC000611285305 676029830 /nfs/dbraw/zinc/02/98/30/676029830.db2.gz YALLMRUBKFUGEE-LRDDRELGSA-N 1 1 352.412 2.072 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCS[C@H]3COCC[C@@H]31)OCCO2 ZINC000611285305 676029833 /nfs/dbraw/zinc/02/98/33/676029833.db2.gz YALLMRUBKFUGEE-LRDDRELGSA-N 1 1 352.412 2.072 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590045376 672556063 /nfs/dbraw/zinc/55/60/63/672556063.db2.gz QEHKSHNBZMFHDX-QMTHXVAHSA-N 1 1 368.231 2.442 20 5 FEBDMO Cc1sc(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000590388196 672576701 /nfs/dbraw/zinc/57/67/01/672576701.db2.gz KPNGSEQYVDUHIA-NSHDSACASA-N 1 1 353.444 2.290 20 5 FEBDMO CSc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000590398998 672578156 /nfs/dbraw/zinc/57/81/56/672578156.db2.gz BEISQTHAVKJSAJ-ZFWWWQNUSA-N 1 1 365.455 2.252 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000591137268 672653683 /nfs/dbraw/zinc/65/36/83/672653683.db2.gz DFIROFUTJTVVCW-GFCCVEGCSA-N 1 1 360.336 2.310 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)c1 ZINC000591266608 672663452 /nfs/dbraw/zinc/66/34/52/672663452.db2.gz AHMZQURROJQENJ-QGZVFWFLSA-N 1 1 350.371 2.157 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@](C)(C(=O)OC)C2)c1 ZINC000591266608 672663453 /nfs/dbraw/zinc/66/34/53/672663453.db2.gz AHMZQURROJQENJ-QGZVFWFLSA-N 1 1 350.371 2.157 20 5 FEBDMO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000612051361 676066195 /nfs/dbraw/zinc/06/61/95/676066195.db2.gz NBJHNZZDSNJFDR-GWCFXTLKSA-N 1 1 373.862 2.176 20 5 FEBDMO C[C@H](NC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000612051361 676066197 /nfs/dbraw/zinc/06/61/97/676066197.db2.gz NBJHNZZDSNJFDR-GWCFXTLKSA-N 1 1 373.862 2.176 20 5 FEBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593541334 672937978 /nfs/dbraw/zinc/93/79/78/672937978.db2.gz LQLDMXWXZSMMEO-CYBMUJFWSA-N 1 1 370.475 2.169 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594482993 673086788 /nfs/dbraw/zinc/08/67/88/673086788.db2.gz HAKLZGBSLIKRTR-NWDGAFQWSA-N 1 1 359.473 2.260 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594482993 673086795 /nfs/dbraw/zinc/08/67/95/673086795.db2.gz HAKLZGBSLIKRTR-NWDGAFQWSA-N 1 1 359.473 2.260 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594714665 673121978 /nfs/dbraw/zinc/12/19/78/673121978.db2.gz SCPIGPUPNUDUNV-MRXNPFEDSA-N 1 1 351.447 2.139 20 5 FEBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000594781490 673140364 /nfs/dbraw/zinc/14/03/64/673140364.db2.gz QCICASXMDLCGFV-CQSZACIVSA-N 1 1 368.459 2.065 20 5 FEBDMO Cc1noc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000595296087 673218569 /nfs/dbraw/zinc/21/85/69/673218569.db2.gz HXJPWAKZTIEJCP-LBPRGKRZSA-N 1 1 350.419 2.362 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595412191 673246062 /nfs/dbraw/zinc/24/60/62/673246062.db2.gz VWTPZAOZURVICH-HNNXBMFYSA-N 1 1 367.471 2.304 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462573057 673264154 /nfs/dbraw/zinc/26/41/54/673264154.db2.gz HKRZTJCUFAYADL-OAHLLOKOSA-N 1 1 367.471 2.446 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000462706198 673277209 /nfs/dbraw/zinc/27/72/09/673277209.db2.gz RRRSLSVJZYRUMC-GFCCVEGCSA-N 1 1 359.423 2.229 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596077326 673356672 /nfs/dbraw/zinc/35/66/72/673356672.db2.gz TWZBEBFIHFQXJR-CYBMUJFWSA-N 1 1 370.475 2.166 20 5 FEBDMO COc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000596267888 673372878 /nfs/dbraw/zinc/37/28/78/673372878.db2.gz BLIXVFFYQGADON-UHFFFAOYSA-N 1 1 353.394 2.434 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)C1 ZINC000734484954 673464621 /nfs/dbraw/zinc/46/46/21/673464621.db2.gz OCMPKZDVQXBKPT-AWEZNQCLSA-N 1 1 361.471 2.421 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597693055 673499704 /nfs/dbraw/zinc/49/97/04/673499704.db2.gz ADLSFRBSWQXUGP-CVEARBPZSA-N 1 1 365.455 2.009 20 5 FEBDMO CC(C)(C)N1CCC([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000542665709 673596017 /nfs/dbraw/zinc/59/60/17/673596017.db2.gz PYKCECMICPZERJ-UHFFFAOYSA-N 1 1 369.487 2.221 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000598985337 673626553 /nfs/dbraw/zinc/62/65/53/673626553.db2.gz OESKHCZIWYJCPI-CQSZACIVSA-N 1 1 350.419 2.005 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000599464948 673679040 /nfs/dbraw/zinc/67/90/40/673679040.db2.gz XXOQYGHMVYMGLF-MRXNPFEDSA-N 1 1 353.444 2.031 20 5 FEBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600105620 673741037 /nfs/dbraw/zinc/74/10/37/673741037.db2.gz ROOBLYPVFBSBEH-UHFFFAOYSA-N 1 1 353.806 2.185 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000600212849 673749582 /nfs/dbraw/zinc/74/95/82/673749582.db2.gz IJKMZFWDZWXOEQ-IHWMJMDHSA-N 1 1 367.471 2.259 20 5 FEBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601594225 673885108 /nfs/dbraw/zinc/88/51/08/673885108.db2.gz XZTSSUMJHIVZQP-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO O=C(N1C[C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1)C(F)(F)F ZINC000824828528 675624072 /nfs/dbraw/zinc/62/40/72/675624072.db2.gz NWLYAHGAABPJAQ-WDEREUQCSA-N 1 1 363.361 2.499 20 5 FEBDMO O=C(N1C[C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]2C1)C(F)(F)F ZINC000824828528 675624073 /nfs/dbraw/zinc/62/40/73/675624073.db2.gz NWLYAHGAABPJAQ-WDEREUQCSA-N 1 1 363.361 2.499 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825450048 675653579 /nfs/dbraw/zinc/65/35/79/675653579.db2.gz NUWOCCCMTWEYKK-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)cc1SC ZINC000827318245 675747737 /nfs/dbraw/zinc/74/77/37/675747737.db2.gz FSRJJYVXJOZLIU-AAEUAGOBSA-N 1 1 365.455 2.492 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000618068163 676318244 /nfs/dbraw/zinc/31/82/44/676318244.db2.gz BGVXDKSGPUKZAW-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000618068163 676318245 /nfs/dbraw/zinc/31/82/45/676318245.db2.gz BGVXDKSGPUKZAW-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000619498493 676381936 /nfs/dbraw/zinc/38/19/36/676381936.db2.gz MRKOBBUYQYPGMK-STQMWFEESA-N 1 1 371.459 2.002 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839665530 680770223 /nfs/dbraw/zinc/77/02/23/680770223.db2.gz HZPKQJABMHLIFM-INIZCTEOSA-N 1 1 369.805 2.462 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839665530 680770224 /nfs/dbraw/zinc/77/02/24/680770224.db2.gz HZPKQJABMHLIFM-INIZCTEOSA-N 1 1 369.805 2.462 20 5 FEBDMO Cc1ccc2sc(C[NH2+][C@H]3C[C@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)nc2c1 ZINC001020139947 680101162 /nfs/dbraw/zinc/10/11/62/680101162.db2.gz RIWLKKDGLBSJOZ-HKUMRIAESA-N 1 1 360.439 2.007 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000832778209 680175613 /nfs/dbraw/zinc/17/56/13/680175613.db2.gz JMJTUNGPINYZPG-AWEZNQCLSA-N 1 1 352.410 2.477 20 5 FEBDMO CC(C)N1CC[C@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000832778209 680175615 /nfs/dbraw/zinc/17/56/15/680175615.db2.gz JMJTUNGPINYZPG-AWEZNQCLSA-N 1 1 352.410 2.477 20 5 FEBDMO CC(C)N1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000832778209 680175618 /nfs/dbraw/zinc/17/56/18/680175618.db2.gz JMJTUNGPINYZPG-AWEZNQCLSA-N 1 1 352.410 2.477 20 5 FEBDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000752071838 680221955 /nfs/dbraw/zinc/22/19/55/680221955.db2.gz ZDJUJBLGONDEAY-CHWSQXEVSA-N 1 1 353.423 2.026 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000752255551 680232402 /nfs/dbraw/zinc/23/24/02/680232402.db2.gz RJAAJVHLIFFLJF-MNOVXSKESA-N 1 1 361.851 2.318 20 5 FEBDMO O=C(N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000834594154 680245347 /nfs/dbraw/zinc/24/53/47/680245347.db2.gz SVLKMPNIDJUYDL-ZIAGYGMSSA-N 1 1 357.332 2.331 20 5 FEBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983650654 680317831 /nfs/dbraw/zinc/31/78/31/680317831.db2.gz XWSZEHMLDQSLRN-QGMIFYJMSA-N 1 1 355.797 2.129 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000835897849 680395157 /nfs/dbraw/zinc/39/51/57/680395157.db2.gz QGPKDVKCULFGAN-LBPRGKRZSA-N 1 1 368.821 2.129 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000835897849 680395160 /nfs/dbraw/zinc/39/51/60/680395160.db2.gz QGPKDVKCULFGAN-LBPRGKRZSA-N 1 1 368.821 2.129 20 5 FEBDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000835941063 680401180 /nfs/dbraw/zinc/40/11/80/680401180.db2.gz LCULDJNTIFXWIO-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000836090272 680419712 /nfs/dbraw/zinc/41/97/12/680419712.db2.gz XGZKBAWPHYHPGP-LBPRGKRZSA-N 1 1 368.821 2.128 20 5 FEBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836202392 680434821 /nfs/dbraw/zinc/43/48/21/680434821.db2.gz JCVWAUYJCJRBJQ-GFCCVEGCSA-N 1 1 356.810 2.217 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CC1CC(F)(F)C1)CC2 ZINC001040701303 680483818 /nfs/dbraw/zinc/48/38/18/680483818.db2.gz XXBMDLXXVFOFPZ-ZIAGYGMSSA-N 1 1 357.401 2.011 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000836788146 680514263 /nfs/dbraw/zinc/51/42/63/680514263.db2.gz OPSXRIYPPAVDQV-UHFFFAOYSA-N 1 1 368.865 2.312 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000837960427 680664855 /nfs/dbraw/zinc/66/48/55/680664855.db2.gz UFMUCDHQDQQAJY-UHFFFAOYSA-N 1 1 362.304 2.493 20 5 FEBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841706740 680908321 /nfs/dbraw/zinc/90/83/21/680908321.db2.gz IHDOSFCFGAJNFR-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841706740 680908324 /nfs/dbraw/zinc/90/83/24/680908324.db2.gz IHDOSFCFGAJNFR-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO C[NH+]1CCN(C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1 ZINC000841750821 680910372 /nfs/dbraw/zinc/91/03/72/680910372.db2.gz JKPFAGQAYKKSGJ-LBPRGKRZSA-N 1 1 364.299 2.294 20 5 FEBDMO C[NH+](C)C1(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000842047105 680923434 /nfs/dbraw/zinc/92/34/34/680923434.db2.gz KIUCQPPKPPTURY-UHFFFAOYSA-N 1 1 367.349 2.394 20 5 FEBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000768865797 680962351 /nfs/dbraw/zinc/96/23/51/680962351.db2.gz OMOPGLULKPHPMD-DZGCQCFKSA-N 1 1 367.452 2.380 20 5 FEBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000768865797 680962353 /nfs/dbraw/zinc/96/23/53/680962353.db2.gz OMOPGLULKPHPMD-DZGCQCFKSA-N 1 1 367.452 2.380 20 5 FEBDMO Cc1nn(CCC(=O)OC[C@H]2CCC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842833611 680970439 /nfs/dbraw/zinc/97/04/39/680970439.db2.gz MFINVEAFDIPYPA-HNNXBMFYSA-N 1 1 352.435 2.462 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])CC1 ZINC000843908466 681025264 /nfs/dbraw/zinc/02/52/64/681025264.db2.gz NZQOFEDKUHCBOO-UHFFFAOYSA-N 1 1 353.394 2.225 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000771203601 681046770 /nfs/dbraw/zinc/04/67/70/681046770.db2.gz HNJJGEGSRBPQDC-LBPRGKRZSA-N 1 1 352.410 2.323 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000771203601 681046772 /nfs/dbraw/zinc/04/67/72/681046772.db2.gz HNJJGEGSRBPQDC-LBPRGKRZSA-N 1 1 352.410 2.323 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844372810 681055050 /nfs/dbraw/zinc/05/50/50/681055050.db2.gz FOYRXPFOCKTYSU-MRXNPFEDSA-N 1 1 350.806 2.428 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000932150694 681184313 /nfs/dbraw/zinc/18/43/13/681184313.db2.gz FELKVIQYSXVZLV-GFCCVEGCSA-N 1 1 353.444 2.157 20 5 FEBDMO CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000933485375 681419728 /nfs/dbraw/zinc/41/97/28/681419728.db2.gz CDUMPCRSLJEOMR-SNVBAGLBSA-N 1 1 371.235 2.106 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352523 681528025 /nfs/dbraw/zinc/52/80/25/681528025.db2.gz QHSYCRUUUQBSHO-WCQYABFASA-N 1 1 361.427 2.346 20 5 FEBDMO CCOC(=O)CC[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C(C)C ZINC000848502871 681563151 /nfs/dbraw/zinc/56/31/51/681563151.db2.gz YKNUMHDUIKJNFN-UHFFFAOYSA-N 1 1 363.212 2.175 20 5 FEBDMO CCOC(=O)CC[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C(C)C ZINC000848502871 681563156 /nfs/dbraw/zinc/56/31/56/681563156.db2.gz YKNUMHDUIKJNFN-UHFFFAOYSA-N 1 1 363.212 2.175 20 5 FEBDMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000778086506 681568982 /nfs/dbraw/zinc/56/89/82/681568982.db2.gz UXZVBGOCQBHSBG-ZDUSSCGKSA-N 1 1 362.283 2.007 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848586703 681584480 /nfs/dbraw/zinc/58/44/80/681584480.db2.gz CDYBRVDKAUNVLY-LBPRGKRZSA-N 1 1 357.357 2.367 20 5 FEBDMO C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000934965666 681666097 /nfs/dbraw/zinc/66/60/97/681666097.db2.gz MGFJICNFOSFSIX-ABAIWWIYSA-N 1 1 355.822 2.016 20 5 FEBDMO C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000934965666 681666099 /nfs/dbraw/zinc/66/60/99/681666099.db2.gz MGFJICNFOSFSIX-ABAIWWIYSA-N 1 1 355.822 2.016 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1F ZINC000849411486 681719952 /nfs/dbraw/zinc/71/99/52/681719952.db2.gz LFPVJRBIVUAZKH-LBPRGKRZSA-N 1 1 373.450 2.441 20 5 FEBDMO COc1cc(CN2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000780302180 681813058 /nfs/dbraw/zinc/81/30/58/681813058.db2.gz PISBMKSMVTXUPY-NSHDSACASA-N 1 1 359.373 2.383 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850505250 681909778 /nfs/dbraw/zinc/90/97/78/681909778.db2.gz PYHHPODYSPVRTA-NSHDSACASA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000850507607 681909930 /nfs/dbraw/zinc/90/99/30/681909930.db2.gz OXUUPABESYKMJI-JTQLQIEISA-N 1 1 368.821 2.176 20 5 FEBDMO C[C@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000781629655 681954279 /nfs/dbraw/zinc/95/42/79/681954279.db2.gz XWKZPKQFEUBHCF-LLVKDONJSA-N 1 1 350.375 2.035 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000783317914 682134390 /nfs/dbraw/zinc/13/43/90/682134390.db2.gz XJXIERFWUKXFBW-LLVKDONJSA-N 1 1 368.821 2.033 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000917061851 685529366 /nfs/dbraw/zinc/52/93/66/685529366.db2.gz AOGJZGQBHJLHCG-NSHDSACASA-N 1 1 350.375 2.200 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2ccsc2)CC1 ZINC000917388268 685531750 /nfs/dbraw/zinc/53/17/50/685531750.db2.gz YAWMZGBBYKDMNN-UHFFFAOYSA-N 1 1 360.439 2.338 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000917656175 685533570 /nfs/dbraw/zinc/53/35/70/685533570.db2.gz XOSXWZVGGJKKOP-RYUDHWBXSA-N 1 1 373.862 2.462 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000917909471 685535658 /nfs/dbraw/zinc/53/56/58/685535658.db2.gz UCYDCVWMIWITMA-MNOVXSKESA-N 1 1 359.835 2.153 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000855160144 682634075 /nfs/dbraw/zinc/63/40/75/682634075.db2.gz OJHMZEVUSCQKFI-LLVKDONJSA-N 1 1 350.375 2.353 20 5 FEBDMO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000856736173 682801516 /nfs/dbraw/zinc/80/15/16/682801516.db2.gz MBTMONGIWBXCAM-LLVKDONJSA-N 1 1 356.220 2.268 20 5 FEBDMO O=C(NCCCCC[NH+]1CCNCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000925904294 683049991 /nfs/dbraw/zinc/04/99/91/683049991.db2.gz JDXBKOANRLSTFL-UHFFFAOYSA-N 1 1 369.853 2.445 20 5 FEBDMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)[C@@H]1C(C)C ZINC000926263153 683100166 /nfs/dbraw/zinc/10/01/66/683100166.db2.gz OQAKSPLTIVDRBQ-BKBUGSPTSA-N 1 1 367.471 2.256 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c([N+](=O)[O-])cc1F ZINC000928081017 683373216 /nfs/dbraw/zinc/37/32/16/683373216.db2.gz OFNSSPHTMYNQPF-GXTWGEPZSA-N 1 1 369.418 2.052 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c([N+](=O)[O-])cc1F ZINC000928081017 683373223 /nfs/dbraw/zinc/37/32/23/683373223.db2.gz OFNSSPHTMYNQPF-GXTWGEPZSA-N 1 1 369.418 2.052 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928093616 683382471 /nfs/dbraw/zinc/38/24/71/683382471.db2.gz DITRSSMMFDLOJY-GOEBONIOSA-N 1 1 360.439 2.386 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928093146 683382564 /nfs/dbraw/zinc/38/25/64/683382564.db2.gz LHLGNXMNNHDKFN-SWLSCSKDSA-N 1 1 360.439 2.386 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928100794 683391945 /nfs/dbraw/zinc/39/19/45/683391945.db2.gz ZPHPTTFULYVRAV-ZBFHGGJFSA-N 1 1 364.471 2.093 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC([NH+]2CCOCC2)CC1 ZINC000862215356 683551565 /nfs/dbraw/zinc/55/15/65/683551565.db2.gz HRFVGMKITWIMGN-UHFFFAOYSA-N 1 1 353.806 2.185 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000929832716 683644508 /nfs/dbraw/zinc/64/45/08/683644508.db2.gz DZBSSPGTYLUKGR-JOYOIKCWSA-N 1 1 356.329 2.364 20 5 FEBDMO C[C@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000866098309 684071630 /nfs/dbraw/zinc/07/16/30/684071630.db2.gz RQILJWXBARYGLO-JTQLQIEISA-N 1 1 356.220 2.062 20 5 FEBDMO C[C@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000866098309 684071631 /nfs/dbraw/zinc/07/16/31/684071631.db2.gz RQILJWXBARYGLO-JTQLQIEISA-N 1 1 356.220 2.062 20 5 FEBDMO C[N@H+]1C[C@@]2(C)CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931311153 684259435 /nfs/dbraw/zinc/25/94/35/684259435.db2.gz OETGWLDNWZPCDP-CALCHBBNSA-N 1 1 366.849 2.460 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932005684 684387363 /nfs/dbraw/zinc/38/73/63/684387363.db2.gz WUWYGHUSPPVDCH-WDEREUQCSA-N 1 1 369.805 2.270 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932005684 684387368 /nfs/dbraw/zinc/38/73/68/684387368.db2.gz WUWYGHUSPPVDCH-WDEREUQCSA-N 1 1 369.805 2.270 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867812314 684397004 /nfs/dbraw/zinc/39/70/04/684397004.db2.gz JORMSFLECSCYMW-AAEUAGOBSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000872662595 685000217 /nfs/dbraw/zinc/00/02/17/685000217.db2.gz JCSDVNVIMXZIOK-HUUCEWRRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(C)cc1[N+](=O)[O-] ZINC000872665110 685001141 /nfs/dbraw/zinc/00/11/41/685001141.db2.gz OVZHHLKBYKZEDN-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876654265 686237677 /nfs/dbraw/zinc/23/76/77/686237677.db2.gz ARLFRRCLBVBFKM-CQSZACIVSA-N 1 1 351.451 2.237 20 5 FEBDMO C[C@]12C[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877667170 686433438 /nfs/dbraw/zinc/43/34/38/686433438.db2.gz DYGWAFUFFAGUCB-GASCZTMLSA-N 1 1 372.208 2.386 20 5 FEBDMO C[C@]12C[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877667170 686433442 /nfs/dbraw/zinc/43/34/42/686433442.db2.gz DYGWAFUFFAGUCB-GASCZTMLSA-N 1 1 372.208 2.386 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000878154485 686531171 /nfs/dbraw/zinc/53/11/71/686531171.db2.gz VRDAGGHERXACLX-ZDUSSCGKSA-N 1 1 353.423 2.041 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000879371148 686807345 /nfs/dbraw/zinc/80/73/45/686807345.db2.gz ZWYQHBHAFRTLMO-UONOGXRCSA-N 1 1 358.341 2.149 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000879371148 686807353 /nfs/dbraw/zinc/80/73/53/686807353.db2.gz ZWYQHBHAFRTLMO-UONOGXRCSA-N 1 1 358.341 2.149 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000879575056 686860552 /nfs/dbraw/zinc/86/05/52/686860552.db2.gz ILCZEUOIKSWDFM-XHDPSFHLSA-N 1 1 352.822 2.213 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@@H]2C1 ZINC000880312568 687032435 /nfs/dbraw/zinc/03/24/35/687032435.db2.gz QXXPDXVEYSSQRO-BETUJISGSA-N 1 1 368.231 2.267 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@@H]2C1 ZINC000880312568 687032439 /nfs/dbraw/zinc/03/24/39/687032439.db2.gz QXXPDXVEYSSQRO-BETUJISGSA-N 1 1 368.231 2.267 20 5 FEBDMO O=[N+]([O-])c1cc(Cn2cc(CCC[NH+]3CCOCC3)nn2)ccc1Cl ZINC000881227260 687118780 /nfs/dbraw/zinc/11/87/80/687118780.db2.gz PPHYJZMLWRKTFL-UHFFFAOYSA-N 1 1 365.821 2.153 20 5 FEBDMO COCCn1cc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000883287763 687599144 /nfs/dbraw/zinc/59/91/44/687599144.db2.gz DIEBHHVJZWPDPP-UHFFFAOYSA-N 1 1 369.219 2.490 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000885875052 688175705 /nfs/dbraw/zinc/17/57/05/688175705.db2.gz DVCYFDDZADSUEE-LBPRGKRZSA-N 1 1 353.806 2.231 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886564337 688275473 /nfs/dbraw/zinc/27/54/73/688275473.db2.gz SZPDZENZRLPXGK-UTUOFQBUSA-N 1 1 351.428 2.225 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887930388 688522164 /nfs/dbraw/zinc/52/21/64/688522164.db2.gz GOXHTWMZDQVSPG-ABAIWWIYSA-N 1 1 368.231 2.381 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000895246672 689683970 /nfs/dbraw/zinc/68/39/70/689683970.db2.gz OZZMNIMGCSWMQH-IINYFYTJSA-N 1 1 370.837 2.081 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000907602512 691525078 /nfs/dbraw/zinc/52/50/78/691525078.db2.gz FBZUYPIDVBFSTF-SNVBAGLBSA-N 1 1 373.812 2.305 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000907602512 691525083 /nfs/dbraw/zinc/52/50/83/691525083.db2.gz FBZUYPIDVBFSTF-SNVBAGLBSA-N 1 1 373.812 2.305 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000908503990 691690744 /nfs/dbraw/zinc/69/07/44/691690744.db2.gz RTXXSDKDDHRMOL-SNVBAGLBSA-N 1 1 352.822 2.387 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000910295115 691912978 /nfs/dbraw/zinc/91/29/78/691912978.db2.gz VBXONQGDBYGFET-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164905978 721562418 /nfs/dbraw/zinc/56/24/18/721562418.db2.gz IHQXKDWKIAGPRW-ZBFHGGJFSA-N 1 1 373.388 2.174 20 5 FEBDMO O=[N+]([O-])c1ccc2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nc2c1 ZINC001164966822 722070564 /nfs/dbraw/zinc/07/05/64/722070564.db2.gz DRRDDDNBBMYUMR-CALCHBBNSA-N 1 1 354.410 2.442 20 5 FEBDMO CN1CC[N@@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000485393939 852139695 /nfs/dbraw/zinc/13/96/95/852139695.db2.gz DSQKNIWCPHDOOW-OAHLLOKOSA-N 1 1 359.405 2.454 20 5 FEBDMO CN1CC[N@H+](C)[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485393939 852139704 /nfs/dbraw/zinc/13/97/04/852139704.db2.gz DSQKNIWCPHDOOW-OAHLLOKOSA-N 1 1 359.405 2.454 20 5 FEBDMO CN1CC[N@@H+](C)[C@H](CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000485393939 852139708 /nfs/dbraw/zinc/13/97/08/852139708.db2.gz DSQKNIWCPHDOOW-OAHLLOKOSA-N 1 1 359.405 2.454 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000026153374 539778205 /nfs/dbraw/zinc/77/82/05/539778205.db2.gz NPSJFDMMFLQRBG-LJQANCHMSA-N 1 1 368.437 2.313 20 5 FEBDMO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000029929670 539868984 /nfs/dbraw/zinc/86/89/84/539868984.db2.gz PAYNYUCAQURNKS-ZDUSSCGKSA-N 1 1 370.409 2.413 20 5 FEBDMO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000029929670 539868987 /nfs/dbraw/zinc/86/89/87/539868987.db2.gz PAYNYUCAQURNKS-ZDUSSCGKSA-N 1 1 370.409 2.413 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000032441074 539939019 /nfs/dbraw/zinc/93/90/19/539939019.db2.gz GIVICHSIPYKUAU-KGLIPLIRSA-N 1 1 355.460 2.444 20 5 FEBDMO CCOc1ccc(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000032297018 539933563 /nfs/dbraw/zinc/93/35/63/539933563.db2.gz HXJVWKRQQWATKG-OKILXGFUSA-N 1 1 365.430 2.223 20 5 FEBDMO COc1ccccc1[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)[NH+](C)C ZINC000041904151 540038874 /nfs/dbraw/zinc/03/88/74/540038874.db2.gz GYCXGSLLQMWHIM-INIZCTEOSA-N 1 1 358.398 2.340 20 5 FEBDMO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000042685468 540073964 /nfs/dbraw/zinc/07/39/64/540073964.db2.gz WDCZBPMPEWLLRD-CYBMUJFWSA-N 1 1 362.430 2.160 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000045279556 540208685 /nfs/dbraw/zinc/20/86/85/540208685.db2.gz DSRHHELHIAGDCO-OAHLLOKOSA-N 1 1 367.409 2.374 20 5 FEBDMO CCOc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000046878848 540275050 /nfs/dbraw/zinc/27/50/50/540275050.db2.gz UQAKYURZJDPGER-CYBMUJFWSA-N 1 1 365.430 2.464 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000047032688 540286091 /nfs/dbraw/zinc/28/60/91/540286091.db2.gz ALPGRFVNZZJDRP-HNNXBMFYSA-N 1 1 367.402 2.315 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000047105124 540289584 /nfs/dbraw/zinc/28/95/84/540289584.db2.gz CICUXGWQCOUCMR-JKSUJKDBSA-N 1 1 373.457 2.053 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000049944376 540394573 /nfs/dbraw/zinc/39/45/73/540394573.db2.gz CGRWSNOXTVAUCE-AWEZNQCLSA-N 1 1 361.354 2.007 20 5 FEBDMO COc1ccc(C[N@H+](C)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000050784409 540414244 /nfs/dbraw/zinc/41/42/44/540414244.db2.gz RMFGPRYXRLMQDA-QGZVFWFLSA-N 1 1 369.377 2.367 20 5 FEBDMO COc1ccc(C[N@@H+](C)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000050784409 540414246 /nfs/dbraw/zinc/41/42/46/540414246.db2.gz RMFGPRYXRLMQDA-QGZVFWFLSA-N 1 1 369.377 2.367 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051708306 540440974 /nfs/dbraw/zinc/44/09/74/540440974.db2.gz JFGWAFPVZQGIGT-UHFFFAOYSA-N 1 1 366.437 2.110 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051708306 540440977 /nfs/dbraw/zinc/44/09/77/540440977.db2.gz JFGWAFPVZQGIGT-UHFFFAOYSA-N 1 1 366.437 2.110 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929957 540500794 /nfs/dbraw/zinc/50/07/94/540500794.db2.gz JWNXAMRIBFFAQS-HIFRSBDPSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929957 540500798 /nfs/dbraw/zinc/50/07/98/540500798.db2.gz JWNXAMRIBFFAQS-HIFRSBDPSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000054150939 540572165 /nfs/dbraw/zinc/57/21/65/540572165.db2.gz YFLJKXNEWLUINM-VXGBXAGGSA-N 1 1 353.394 2.352 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)cc([N+](=O)[O-])c1 ZINC000063865470 541190088 /nfs/dbraw/zinc/19/00/88/541190088.db2.gz KSHHUDVANZQXNA-ZDUSSCGKSA-N 1 1 363.414 2.233 20 5 FEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[N@H+]1CCCC[C@H]1C ZINC000066307297 541299808 /nfs/dbraw/zinc/29/98/08/541299808.db2.gz PUBPGLMJKCZJSZ-OLZOCXBDSA-N 1 1 363.414 2.359 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000068525234 541603895 /nfs/dbraw/zinc/60/38/95/541603895.db2.gz GWIIXGZFFAITMS-OAHLLOKOSA-N 1 1 363.462 2.403 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000071898731 541775031 /nfs/dbraw/zinc/77/50/31/541775031.db2.gz UHJZIMYMRCOIJT-ZDUSSCGKSA-N 1 1 371.459 2.146 20 5 FEBDMO C[N@H+](CCc1cccs1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072800781 541868754 /nfs/dbraw/zinc/86/87/54/541868754.db2.gz LTTKEBWCGMVYEO-UHFFFAOYSA-N 1 1 363.395 2.498 20 5 FEBDMO C[N@@H+](CCc1cccs1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000072800781 541868757 /nfs/dbraw/zinc/86/87/57/541868757.db2.gz LTTKEBWCGMVYEO-UHFFFAOYSA-N 1 1 363.395 2.498 20 5 FEBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000074105019 542037673 /nfs/dbraw/zinc/03/76/73/542037673.db2.gz FCBPJSFWTWYTGV-KGLIPLIRSA-N 1 1 367.471 2.302 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078207800 542448619 /nfs/dbraw/zinc/44/86/19/542448619.db2.gz HKTKMMICEROVGL-APHBMKBZSA-N 1 1 360.370 2.059 20 5 FEBDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)COc2cccnc2[N+](=O)[O-])CC1 ZINC000078705148 542476735 /nfs/dbraw/zinc/47/67/35/542476735.db2.gz GIGPRITVKJGCJW-HNNXBMFYSA-N 1 1 370.409 2.274 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+](C)Cc2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000081007322 542622917 /nfs/dbraw/zinc/62/29/17/542622917.db2.gz XUKFHPPTWITQCL-UHFFFAOYSA-N 1 1 368.397 2.407 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2nnc3ccccn32)cccc1[N+](=O)[O-] ZINC000081007322 542622920 /nfs/dbraw/zinc/62/29/20/542622920.db2.gz XUKFHPPTWITQCL-UHFFFAOYSA-N 1 1 368.397 2.407 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000081364188 542651083 /nfs/dbraw/zinc/65/10/83/542651083.db2.gz HNCIQTHVRJTDLN-CYBMUJFWSA-N 1 1 353.394 2.303 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000081634704 542670052 /nfs/dbraw/zinc/67/00/52/542670052.db2.gz QWGNMOXVFLTRSJ-QFBILLFUSA-N 1 1 372.469 2.364 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932839 542775866 /nfs/dbraw/zinc/77/58/66/542775866.db2.gz TVSLTQCTWGMTNF-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092643656 542876678 /nfs/dbraw/zinc/87/66/78/542876678.db2.gz FTULDKOZCHAURB-AWEZNQCLSA-N 1 1 358.398 2.380 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092763850 542885699 /nfs/dbraw/zinc/88/56/99/542885699.db2.gz MCHIHOGFBFKXJQ-SNVBAGLBSA-N 1 1 364.320 2.359 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092763850 542885702 /nfs/dbraw/zinc/88/57/02/542885702.db2.gz MCHIHOGFBFKXJQ-SNVBAGLBSA-N 1 1 364.320 2.359 20 5 FEBDMO CN(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1[N+](=O)[O-] ZINC000098071776 543019728 /nfs/dbraw/zinc/01/97/28/543019728.db2.gz FTHRYAIDIXHAAE-UHFFFAOYSA-N 1 1 368.437 2.375 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000103285313 543101224 /nfs/dbraw/zinc/10/12/24/543101224.db2.gz SVVBULWKLPMHLG-ZJUUUORDSA-N 1 1 373.356 2.291 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000104733272 543140290 /nfs/dbraw/zinc/14/02/90/543140290.db2.gz SEGKNEZYTJSKGV-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000104870341 543148516 /nfs/dbraw/zinc/14/85/16/543148516.db2.gz GGIIFKDTESPXTL-LJQANCHMSA-N 1 1 369.421 2.409 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(C4OCCO4)CC3)o2)cc1 ZINC000110454105 543358123 /nfs/dbraw/zinc/35/81/23/543358123.db2.gz CVEPFWDLJQMTIT-UHFFFAOYSA-N 1 1 360.370 2.230 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1C ZINC000113305702 543483665 /nfs/dbraw/zinc/48/36/65/543483665.db2.gz DEMVOHUDEJORMD-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000116206337 543604541 /nfs/dbraw/zinc/60/45/41/543604541.db2.gz NRFAEWZQJMJPJP-LBPRGKRZSA-N 1 1 351.794 2.312 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000123796461 543783470 /nfs/dbraw/zinc/78/34/70/543783470.db2.gz YLUIBPVBJBUCJQ-LLVKDONJSA-N 1 1 359.473 2.260 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000123285542 543752775 /nfs/dbraw/zinc/75/27/75/543752775.db2.gz XMAFYBZVBBMWOQ-ZDUSSCGKSA-N 1 1 367.471 2.236 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000125573037 543889360 /nfs/dbraw/zinc/88/93/60/543889360.db2.gz UNHHDUWUDRTBKR-PBHICJAKSA-N 1 1 374.441 2.222 20 5 FEBDMO Cc1nccn1CCC[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000130488732 544152930 /nfs/dbraw/zinc/15/29/30/544152930.db2.gz NQTUUMMHSBMBGA-UHFFFAOYSA-N 1 1 373.413 2.420 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000131457846 544191053 /nfs/dbraw/zinc/19/10/53/544191053.db2.gz FVOPTILTMJOWLU-HNNXBMFYSA-N 1 1 366.849 2.162 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000131270830 544183217 /nfs/dbraw/zinc/18/32/17/544183217.db2.gz HINQGRRLFUBSTC-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000131665867 544200963 /nfs/dbraw/zinc/20/09/63/544200963.db2.gz HBQPEWXRGVQPMJ-HNNXBMFYSA-N 1 1 367.471 2.040 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000132478165 544232343 /nfs/dbraw/zinc/23/23/43/544232343.db2.gz DTKZYIBVMZABBO-TVQRCGJNSA-N 1 1 361.320 2.063 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000132478165 544232345 /nfs/dbraw/zinc/23/23/45/544232345.db2.gz DTKZYIBVMZABBO-TVQRCGJNSA-N 1 1 361.320 2.063 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000133530845 544274191 /nfs/dbraw/zinc/27/41/91/544274191.db2.gz MAYVGVOJETWHGP-LLVKDONJSA-N 1 1 359.423 2.053 20 5 FEBDMO Cc1c(CN2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cccc1[N+](=O)[O-] ZINC000134178920 544297461 /nfs/dbraw/zinc/29/74/61/544297461.db2.gz IDULYVLDLYFNBA-UHFFFAOYSA-N 1 1 356.430 2.081 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000135509935 544350046 /nfs/dbraw/zinc/35/00/46/544350046.db2.gz ZGNGQUADXXPCCA-UONOGXRCSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000135509935 544350048 /nfs/dbraw/zinc/35/00/48/544350048.db2.gz ZGNGQUADXXPCCA-UONOGXRCSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1cc(C[NH2+][C@]2(CO)CCc3ccccc32)c2c(c1)COCO2 ZINC000135907993 544363497 /nfs/dbraw/zinc/36/34/97/544363497.db2.gz NPEOUYUJEPKQHE-IBGZPJMESA-N 1 1 356.378 2.385 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000137175184 544385859 /nfs/dbraw/zinc/38/58/59/544385859.db2.gz LANZJOJLOAYTCQ-BBRMVZONSA-N 1 1 362.430 2.229 20 5 FEBDMO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141604991 544413740 /nfs/dbraw/zinc/41/37/40/544413740.db2.gz JCQPJWZGXSNZID-INIZCTEOSA-N 1 1 355.398 2.091 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000152105395 544613484 /nfs/dbraw/zinc/61/34/84/544613484.db2.gz VXBPFFJMQPXWTL-UHFFFAOYSA-N 1 1 363.439 2.146 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000152105395 544613487 /nfs/dbraw/zinc/61/34/87/544613487.db2.gz VXBPFFJMQPXWTL-UHFFFAOYSA-N 1 1 363.439 2.146 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153738298 544816112 /nfs/dbraw/zinc/81/61/12/544816112.db2.gz JNVAJHDHCILSAJ-AWEZNQCLSA-N 1 1 353.854 2.250 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000154109927 544864645 /nfs/dbraw/zinc/86/46/45/544864645.db2.gz SKPUNDGLPANRLN-CYBMUJFWSA-N 1 1 367.471 2.405 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(OCCCO)CC3)n2)c1 ZINC000155057059 544983508 /nfs/dbraw/zinc/98/35/08/544983508.db2.gz YFURRPZYYHVMJA-UHFFFAOYSA-N 1 1 362.386 2.008 20 5 FEBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000182408871 327774196 /nfs/dbraw/zinc/77/41/96/327774196.db2.gz TZHKZDIRTRGGMC-GFCCVEGCSA-N 1 1 350.396 2.425 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000188023930 328060919 /nfs/dbraw/zinc/06/09/19/328060919.db2.gz BSFQBLSDCBQJBX-YVEFUNNKSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC1(O)CCOCC1 ZINC000189792379 328168315 /nfs/dbraw/zinc/16/83/15/328168315.db2.gz GDYIALHFNUSQPP-NSHDSACASA-N 1 1 371.821 2.049 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCNC(=O)[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000189785607 328167846 /nfs/dbraw/zinc/16/78/46/328167846.db2.gz LDSMLHUFENZBAP-INIZCTEOSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCNC(=O)[C@@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000189785607 328167847 /nfs/dbraw/zinc/16/78/47/328167847.db2.gz LDSMLHUFENZBAP-INIZCTEOSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1c(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000190046052 328184265 /nfs/dbraw/zinc/18/42/65/328184265.db2.gz GLDWJBDYVCEFRB-GFCCVEGCSA-N 1 1 350.419 2.212 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000191645759 328275584 /nfs/dbraw/zinc/27/55/84/328275584.db2.gz XYXFPRVUGDRXFS-INIZCTEOSA-N 1 1 371.441 2.405 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000192026605 328295055 /nfs/dbraw/zinc/29/50/55/328295055.db2.gz LOLPZEYFOTZHMY-QWHCGFSZSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000192026605 328295056 /nfs/dbraw/zinc/29/50/56/328295056.db2.gz LOLPZEYFOTZHMY-QWHCGFSZSA-N 1 1 353.444 2.115 20 5 FEBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1[N+](=O)[O-] ZINC000192519150 328323394 /nfs/dbraw/zinc/32/33/94/328323394.db2.gz SRLZYMLADOHNGT-UHFFFAOYSA-N 1 1 359.430 2.393 20 5 FEBDMO COc1cccc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000192820084 328341706 /nfs/dbraw/zinc/34/17/06/328341706.db2.gz FCPYWMMPGUTIJT-UHFFFAOYSA-N 1 1 365.430 2.034 20 5 FEBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2)N1 ZINC000193475928 328377772 /nfs/dbraw/zinc/37/77/72/328377772.db2.gz OHGNSRUCJMLXFQ-GOSISDBHSA-N 1 1 370.365 2.029 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000194487469 328427288 /nfs/dbraw/zinc/42/72/88/328427288.db2.gz RVJXIXONPIXPPQ-KBPBESRZSA-N 1 1 364.446 2.282 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080152456 325120252 /nfs/dbraw/zinc/12/02/52/325120252.db2.gz LIJRDFYRJWWVFK-UHFFFAOYSA-N 1 1 352.435 2.097 20 5 FEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000080780366 325143315 /nfs/dbraw/zinc/14/33/15/325143315.db2.gz HEFNJNWNRZBSGY-NSHDSACASA-N 1 1 356.810 2.169 20 5 FEBDMO CCOC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081544320 325182229 /nfs/dbraw/zinc/18/22/29/325182229.db2.gz GLWVLLFJUUGIMJ-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081544320 325182230 /nfs/dbraw/zinc/18/22/30/325182230.db2.gz GLWVLLFJUUGIMJ-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)cc1 ZINC000090002271 325349030 /nfs/dbraw/zinc/34/90/30/325349030.db2.gz JCRASYOKRWUQJO-CJNGLKHVSA-N 1 1 363.805 2.006 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)cc1 ZINC000090002271 325349032 /nfs/dbraw/zinc/34/90/32/325349032.db2.gz JCRASYOKRWUQJO-CJNGLKHVSA-N 1 1 363.805 2.006 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000111831392 325738340 /nfs/dbraw/zinc/73/83/40/325738340.db2.gz TWGVYJZJRCMEDV-CQSZACIVSA-N 1 1 350.419 2.020 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000119228170 326139498 /nfs/dbraw/zinc/13/94/98/326139498.db2.gz NHZVMMMTBXKHFP-OAHLLOKOSA-N 1 1 351.403 2.167 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000119597696 326179181 /nfs/dbraw/zinc/17/91/81/326179181.db2.gz CHZGWCLVNVELTR-HNNXBMFYSA-N 1 1 371.441 2.488 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(n3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000156583747 326836688 /nfs/dbraw/zinc/83/66/88/326836688.db2.gz CUGZKCOWZTZFQN-CYBMUJFWSA-N 1 1 358.402 2.159 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000160317323 326961522 /nfs/dbraw/zinc/96/15/22/326961522.db2.gz ADHYJEPNMRSPRO-OAHLLOKOSA-N 1 1 363.439 2.218 20 5 FEBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000173265776 327245142 /nfs/dbraw/zinc/24/51/42/327245142.db2.gz DKUHADAJOAAHQM-JQWIXIFHSA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000173272580 327245505 /nfs/dbraw/zinc/24/55/05/327245505.db2.gz QCDWLSLJCZGTEW-QGZVFWFLSA-N 1 1 360.458 2.145 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000173412404 327254453 /nfs/dbraw/zinc/25/44/53/327254453.db2.gz GBMORJILKBGZFE-NSHDSACASA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000173412404 327254454 /nfs/dbraw/zinc/25/44/54/327254454.db2.gz GBMORJILKBGZFE-NSHDSACASA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(Cc2ccon2)CC1 ZINC000173624505 327271818 /nfs/dbraw/zinc/27/18/18/327271818.db2.gz WBXLCROSDJPAPD-UHFFFAOYSA-N 1 1 373.413 2.038 20 5 FEBDMO CCOc1ccc(NC(=O)CN2CC[C@H](C[N@@H+](C)CC)C2)c([N+](=O)[O-])c1 ZINC000173903737 327293040 /nfs/dbraw/zinc/29/30/40/327293040.db2.gz OZUCYVRFCZTGLK-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000173955997 327297414 /nfs/dbraw/zinc/29/74/14/327297414.db2.gz DOSZHVXGWQXMPJ-GFCCVEGCSA-N 1 1 359.423 2.086 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000174467385 327328642 /nfs/dbraw/zinc/32/86/42/327328642.db2.gz CTQXTRFNLBJEFS-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO O=C1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1CCOc1ccccc1 ZINC000174466952 327328705 /nfs/dbraw/zinc/32/87/05/327328705.db2.gz TXUQQHBOQANDLV-AWEZNQCLSA-N 1 1 361.423 2.426 20 5 FEBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cnn(-c3ccc([N+](=O)[O-])cc3)c1)C2 ZINC000174639084 327340597 /nfs/dbraw/zinc/34/05/97/327340597.db2.gz KFTGNDNJRXLFRU-WMLDXEAASA-N 1 1 355.398 2.089 20 5 FEBDMO Cc1cc(N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000174883504 327357766 /nfs/dbraw/zinc/35/77/66/327357766.db2.gz HQVDCMKRMXMEMZ-UHFFFAOYSA-N 1 1 355.398 2.400 20 5 FEBDMO Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000261727419 328814859 /nfs/dbraw/zinc/81/48/59/328814859.db2.gz MIZCVVQDAAQFAN-MRXNPFEDSA-N 1 1 371.441 2.413 20 5 FEBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000264231689 329002784 /nfs/dbraw/zinc/00/27/84/329002784.db2.gz JVHFAIUSFOLWIO-UHFFFAOYSA-N 1 1 367.356 2.109 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000264572724 329036839 /nfs/dbraw/zinc/03/68/39/329036839.db2.gz VSCIUEUIMQBMQO-HNNXBMFYSA-N 1 1 372.429 2.148 20 5 FEBDMO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264572724 329036840 /nfs/dbraw/zinc/03/68/40/329036840.db2.gz VSCIUEUIMQBMQO-HNNXBMFYSA-N 1 1 372.429 2.148 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000264572724 329036841 /nfs/dbraw/zinc/03/68/41/329036841.db2.gz VSCIUEUIMQBMQO-HNNXBMFYSA-N 1 1 372.429 2.148 20 5 FEBDMO COC(=O)[C@H]1CC12CC[NH+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000265093850 329090080 /nfs/dbraw/zinc/09/00/80/329090080.db2.gz VNUDNFOXVOVMAJ-CQSZACIVSA-N 1 1 361.398 2.117 20 5 FEBDMO CC[C@@H](NC(=O)NCC[N@@H+](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000267353850 329317970 /nfs/dbraw/zinc/31/79/70/329317970.db2.gz IGXRJCPLAWYKFK-MRXNPFEDSA-N 1 1 352.435 2.313 20 5 FEBDMO C[C@@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000272261448 329764641 /nfs/dbraw/zinc/76/46/41/329764641.db2.gz JKGOZXZBQLNYJL-NSHDSACASA-N 1 1 357.863 2.344 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000276191093 330127638 /nfs/dbraw/zinc/12/76/38/330127638.db2.gz ZRZMNGYEXRWWPT-MRXNPFEDSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000276191093 330127640 /nfs/dbraw/zinc/12/76/40/330127640.db2.gz ZRZMNGYEXRWWPT-MRXNPFEDSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276191093 330127642 /nfs/dbraw/zinc/12/76/42/330127642.db2.gz ZRZMNGYEXRWWPT-MRXNPFEDSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276191093 330127644 /nfs/dbraw/zinc/12/76/44/330127644.db2.gz ZRZMNGYEXRWWPT-MRXNPFEDSA-N 1 1 360.458 2.286 20 5 FEBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276325200 330141008 /nfs/dbraw/zinc/14/10/08/330141008.db2.gz PRESACZEIQIKQB-ZDUSSCGKSA-N 1 1 359.423 2.028 20 5 FEBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276325200 330141009 /nfs/dbraw/zinc/14/10/09/330141009.db2.gz PRESACZEIQIKQB-ZDUSSCGKSA-N 1 1 359.423 2.028 20 5 FEBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000276395581 330148384 /nfs/dbraw/zinc/14/83/84/330148384.db2.gz CLLGBXNWSMFEMR-YPMHNXCESA-N 1 1 352.387 2.243 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000276395581 330148385 /nfs/dbraw/zinc/14/83/85/330148385.db2.gz CLLGBXNWSMFEMR-YPMHNXCESA-N 1 1 352.387 2.243 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367055208 330211870 /nfs/dbraw/zinc/21/18/70/330211870.db2.gz OIDJJBCRCGQDOJ-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367055208 330211872 /nfs/dbraw/zinc/21/18/72/330211872.db2.gz OIDJJBCRCGQDOJ-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000371458483 330244205 /nfs/dbraw/zinc/24/42/05/330244205.db2.gz KTMLABUIIYZXSR-FYCOFBDGSA-N 1 1 372.469 2.235 20 5 FEBDMO C[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CCN(C)CC1 ZINC000371458483 330244207 /nfs/dbraw/zinc/24/42/07/330244207.db2.gz KTMLABUIIYZXSR-FYCOFBDGSA-N 1 1 372.469 2.235 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155551275 545541095 /nfs/dbraw/zinc/54/10/95/545541095.db2.gz GNOSCBVTFHJKHX-UHFFFAOYSA-N 1 1 364.446 2.372 20 5 FEBDMO COc1ccc([C@H]2[C@@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000159797662 545981033 /nfs/dbraw/zinc/98/10/33/545981033.db2.gz AGFQXKIVIJOOPJ-DYVFJYSZSA-N 1 1 373.413 2.139 20 5 FEBDMO COc1ccc([C@H]2[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000159797662 545981037 /nfs/dbraw/zinc/98/10/37/545981037.db2.gz AGFQXKIVIJOOPJ-DYVFJYSZSA-N 1 1 373.413 2.139 20 5 FEBDMO COc1ccc([C@H]2[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000159797662 545981040 /nfs/dbraw/zinc/98/10/40/545981040.db2.gz AGFQXKIVIJOOPJ-DYVFJYSZSA-N 1 1 373.413 2.139 20 5 FEBDMO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCc2ccccc2C1 ZINC000175934381 546375550 /nfs/dbraw/zinc/37/55/50/546375550.db2.gz OPEGJXPIOPLNAN-CYBMUJFWSA-N 1 1 354.410 2.354 20 5 FEBDMO CCn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1=O ZINC000480502814 561210788 /nfs/dbraw/zinc/21/07/88/561210788.db2.gz WNHHNUKDXVPGSE-OAHLLOKOSA-N 1 1 361.377 2.236 20 5 FEBDMO C[N@@H+](CCNC(=O)COc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000177045651 546530698 /nfs/dbraw/zinc/53/06/98/546530698.db2.gz KIEGOZPRYVINFI-UHFFFAOYSA-N 1 1 361.373 2.361 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000177763760 546682189 /nfs/dbraw/zinc/68/21/89/546682189.db2.gz UJLMRMOWAGNAQV-OLZOCXBDSA-N 1 1 363.414 2.311 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000481430784 561232682 /nfs/dbraw/zinc/23/26/82/561232682.db2.gz CKVRQDXGSPSORE-NSHDSACASA-N 1 1 352.416 2.023 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178869402 546864641 /nfs/dbraw/zinc/86/46/41/546864641.db2.gz ZBMKBMCKFXSXDJ-UHFFFAOYSA-N 1 1 357.414 2.493 20 5 FEBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000482513798 561255191 /nfs/dbraw/zinc/25/51/91/561255191.db2.gz SYXLJBDNRWCTPA-IRXDYDNUSA-N 1 1 357.410 2.290 20 5 FEBDMO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1[N+](=O)[O-] ZINC000482513798 561255192 /nfs/dbraw/zinc/25/51/92/561255192.db2.gz SYXLJBDNRWCTPA-IRXDYDNUSA-N 1 1 357.410 2.290 20 5 FEBDMO NC(=O)[C@@H]1CCCN(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000482545495 561255932 /nfs/dbraw/zinc/25/59/32/561255932.db2.gz YTMPGJXPEXHOJL-QZTJIDSGSA-N 1 1 374.485 2.093 20 5 FEBDMO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180410253 547104160 /nfs/dbraw/zinc/10/41/60/547104160.db2.gz RNPAHYMQHKFQDY-ZIAGYGMSSA-N 1 1 374.441 2.303 20 5 FEBDMO Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[NH+]2CCCC2)o1 ZINC000180557670 547129740 /nfs/dbraw/zinc/12/97/40/547129740.db2.gz CDZDPWIHEPPGLW-AWEZNQCLSA-N 1 1 359.386 2.040 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CC2CCC2)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000483142008 561268637 /nfs/dbraw/zinc/26/86/37/561268637.db2.gz TXHBFQQPYXZPAB-ZDUSSCGKSA-N 1 1 365.430 2.415 20 5 FEBDMO C[NH+](C)CCN(Cc1ccco1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181530144 547328862 /nfs/dbraw/zinc/32/88/62/547328862.db2.gz NVDSPFBMWZNSTF-UHFFFAOYSA-N 1 1 373.456 2.221 20 5 FEBDMO CNC(=O)C[C@@H]([NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 ZINC000483409693 561276395 /nfs/dbraw/zinc/27/63/95/561276395.db2.gz PRRYRPQLQHYDPH-QGZVFWFLSA-N 1 1 370.409 2.309 20 5 FEBDMO C[N@@H+](CCOc1ccccc1F)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190778 547450375 /nfs/dbraw/zinc/45/03/75/547450375.db2.gz FRFHGGTZEQIIEA-CQSZACIVSA-N 1 1 364.373 2.484 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000182537660 547509282 /nfs/dbraw/zinc/50/92/82/547509282.db2.gz RSKJFRPYNMJFFQ-NSHDSACASA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000182537660 547509286 /nfs/dbraw/zinc/50/92/86/547509286.db2.gz RSKJFRPYNMJFFQ-NSHDSACASA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000183441893 547660196 /nfs/dbraw/zinc/66/01/96/547660196.db2.gz OCBAXQUQEXALPC-GOSISDBHSA-N 1 1 369.421 2.400 20 5 FEBDMO COC(=O)[C@H](C)[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000484487578 561298598 /nfs/dbraw/zinc/29/85/98/561298598.db2.gz DLLATGUBJRKUAG-LBPRGKRZSA-N 1 1 352.387 2.398 20 5 FEBDMO COC(=O)[C@H](C)[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000484487578 561298599 /nfs/dbraw/zinc/29/85/99/561298599.db2.gz DLLATGUBJRKUAG-LBPRGKRZSA-N 1 1 352.387 2.398 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000184204566 547787183 /nfs/dbraw/zinc/78/71/83/547787183.db2.gz ZFMNPLFQBNAYDY-UHFFFAOYSA-N 1 1 362.474 2.060 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184224122 547789808 /nfs/dbraw/zinc/78/98/08/547789808.db2.gz PRKRVNUGLXEPKJ-CQSZACIVSA-N 1 1 353.394 2.039 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184224122 547789819 /nfs/dbraw/zinc/78/98/19/547789819.db2.gz PRKRVNUGLXEPKJ-CQSZACIVSA-N 1 1 353.394 2.039 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000184370445 547814390 /nfs/dbraw/zinc/81/43/90/547814390.db2.gz BOUAMNGESNFUQS-LBPRGKRZSA-N 1 1 354.838 2.004 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)[C@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184778243 547877955 /nfs/dbraw/zinc/87/79/55/547877955.db2.gz UYDRTTJNOOCHLG-QGZVFWFLSA-N 1 1 363.458 2.344 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000184916227 547900321 /nfs/dbraw/zinc/90/03/21/547900321.db2.gz HQHYJDQETZLAOD-PWSUYJOCSA-N 1 1 359.423 2.146 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](CCO)CC2)nc1-c1ccc(F)cc1 ZINC000485420860 561318790 /nfs/dbraw/zinc/31/87/90/561318790.db2.gz YASFEDWAIWOCEL-UHFFFAOYSA-N 1 1 360.389 2.300 20 5 FEBDMO CC[C@H]1C[N@H+](CCNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCO1 ZINC000486042434 561336672 /nfs/dbraw/zinc/33/66/72/561336672.db2.gz XIAHFVYUSPZZLU-AWEZNQCLSA-N 1 1 351.403 2.213 20 5 FEBDMO CC[C@H]1C[N@@H+](CCNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCO1 ZINC000486042434 561336673 /nfs/dbraw/zinc/33/66/73/561336673.db2.gz XIAHFVYUSPZZLU-AWEZNQCLSA-N 1 1 351.403 2.213 20 5 FEBDMO COc1cccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000193922411 548406807 /nfs/dbraw/zinc/40/68/07/548406807.db2.gz YPKRAXSIBHLVFC-STQMWFEESA-N 1 1 365.430 2.221 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000194902669 548548131 /nfs/dbraw/zinc/54/81/31/548548131.db2.gz MJLPHBKKWWOKGT-LBPRGKRZSA-N 1 1 361.402 2.244 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000245395553 548905824 /nfs/dbraw/zinc/90/58/24/548905824.db2.gz HZBOWQDSWHSRSB-KGLIPLIRSA-N 1 1 362.430 2.208 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000245395553 548905828 /nfs/dbraw/zinc/90/58/28/548905828.db2.gz HZBOWQDSWHSRSB-KGLIPLIRSA-N 1 1 362.430 2.208 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440758 548921568 /nfs/dbraw/zinc/92/15/68/548921568.db2.gz UWFYOGDQETUCJM-XJKSGUPXSA-N 1 1 364.446 2.204 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000245444728 548922608 /nfs/dbraw/zinc/92/26/08/548922608.db2.gz JVDBMJRCRNQRPD-MJGOQNOKSA-N 1 1 367.409 2.059 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000245444728 548922612 /nfs/dbraw/zinc/92/26/12/548922612.db2.gz JVDBMJRCRNQRPD-MJGOQNOKSA-N 1 1 367.409 2.059 20 5 FEBDMO C[C@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246203596 549077270 /nfs/dbraw/zinc/07/72/70/549077270.db2.gz WKYISEYVGKTDPH-UKRRQHHQSA-N 1 1 361.446 2.313 20 5 FEBDMO C[C@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246203596 549077272 /nfs/dbraw/zinc/07/72/72/549077272.db2.gz WKYISEYVGKTDPH-UKRRQHHQSA-N 1 1 361.446 2.313 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246269215 549092701 /nfs/dbraw/zinc/09/27/01/549092701.db2.gz UVJGBTBJCCHEMD-KGLIPLIRSA-N 1 1 353.444 2.151 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000246464063 549139316 /nfs/dbraw/zinc/13/93/16/549139316.db2.gz NJORPOSYNYVOLY-CZUORRHYSA-N 1 1 369.425 2.212 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000246842615 549226318 /nfs/dbraw/zinc/22/63/18/549226318.db2.gz VHHUQTONEIYHFG-HUUCEWRRSA-N 1 1 372.429 2.234 20 5 FEBDMO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@H+]1C[C@H](C)O ZINC000246952580 549250743 /nfs/dbraw/zinc/25/07/43/549250743.db2.gz IBWGYLOABXOEAL-KBPBESRZSA-N 1 1 350.419 2.212 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC[C@H]21 ZINC000247132139 549288784 /nfs/dbraw/zinc/28/87/84/549288784.db2.gz ASTXOAVSQOWLIL-KBXCAEBGSA-N 1 1 369.425 2.337 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247174288 549294893 /nfs/dbraw/zinc/29/48/93/549294893.db2.gz KVCFPHXOYOYIDN-IUODEOHRSA-N 1 1 353.444 2.014 20 5 FEBDMO CCC(CC)[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000248231974 549416764 /nfs/dbraw/zinc/41/67/64/549416764.db2.gz AUPKYMFZCYZKDV-SFHVURJKSA-N 1 1 363.458 2.391 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248654891 549478795 /nfs/dbraw/zinc/47/87/95/549478795.db2.gz VNMJZUYMSFXMBW-KGLIPLIRSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248654891 549478798 /nfs/dbraw/zinc/47/87/98/549478798.db2.gz VNMJZUYMSFXMBW-KGLIPLIRSA-N 1 1 350.419 2.130 20 5 FEBDMO CC(C)C[C@]1(CO)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249065806 549544987 /nfs/dbraw/zinc/54/49/87/549544987.db2.gz KDTRXIGZLUGBJS-AEFFLSMTSA-N 1 1 352.431 2.208 20 5 FEBDMO COc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000249166208 549564108 /nfs/dbraw/zinc/56/41/08/549564108.db2.gz KDGZULDMNVQOPX-STQMWFEESA-N 1 1 371.459 2.002 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262056806 549784939 /nfs/dbraw/zinc/78/49/39/549784939.db2.gz VLLPUIAAVMSEPY-INIZCTEOSA-N 1 1 358.423 2.255 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)C ZINC000268317649 550048795 /nfs/dbraw/zinc/04/87/95/550048795.db2.gz DQQIEGLQFZAHQI-GFCCVEGCSA-N 1 1 367.402 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000268317649 550048796 /nfs/dbraw/zinc/04/87/96/550048796.db2.gz DQQIEGLQFZAHQI-GFCCVEGCSA-N 1 1 367.402 2.204 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c2c(c1)COCO2 ZINC000268958865 550137192 /nfs/dbraw/zinc/13/71/92/550137192.db2.gz HTMHMOWFKATJCY-LSDHHAIUSA-N 1 1 352.412 2.168 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c2c(c1)COCO2 ZINC000268958865 550137195 /nfs/dbraw/zinc/13/71/95/550137195.db2.gz HTMHMOWFKATJCY-LSDHHAIUSA-N 1 1 352.412 2.168 20 5 FEBDMO COc1cc(C(=O)N2CC[NH2+]Cc3ccccc32)cc([N+](=O)[O-])c1OC ZINC000269183408 550164778 /nfs/dbraw/zinc/16/47/78/550164778.db2.gz REKUSWPZMAPSFV-UHFFFAOYSA-N 1 1 357.366 2.362 20 5 FEBDMO CC[C@@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000493935602 561459636 /nfs/dbraw/zinc/45/96/36/561459636.db2.gz VETVPSIXMUFRPM-HNNXBMFYSA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@H]1[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000494039914 561461300 /nfs/dbraw/zinc/46/13/00/561461300.db2.gz VZWHJVJZYUAASD-WFASDCNBSA-N 1 1 356.382 2.088 20 5 FEBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000271121870 550342349 /nfs/dbraw/zinc/34/23/49/550342349.db2.gz FKAZLPCHRYZMQU-JKNJVXJCSA-N 1 1 352.431 2.342 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295016 550435281 /nfs/dbraw/zinc/43/52/81/550435281.db2.gz HSFJEUWCZJLNAS-ZANVPECISA-N 1 1 355.341 2.409 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272386009 550442998 /nfs/dbraw/zinc/44/29/98/550442998.db2.gz IKOQXAYRNNRPQT-BXUZGUMPSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272386009 550442999 /nfs/dbraw/zinc/44/29/99/550442999.db2.gz IKOQXAYRNNRPQT-BXUZGUMPSA-N 1 1 373.862 2.271 20 5 FEBDMO COCCCOCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000272399500 550444030 /nfs/dbraw/zinc/44/40/30/550444030.db2.gz WQPFKBIAHMIQNV-UHFFFAOYSA-N 1 1 362.430 2.480 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273522390 550501648 /nfs/dbraw/zinc/50/16/48/550501648.db2.gz YTXSVNVRFGINAE-UHFFFAOYSA-N 1 1 367.425 2.224 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273522390 550501649 /nfs/dbraw/zinc/50/16/49/550501649.db2.gz YTXSVNVRFGINAE-UHFFFAOYSA-N 1 1 367.425 2.224 20 5 FEBDMO CS[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274847386 550559147 /nfs/dbraw/zinc/55/91/47/550559147.db2.gz AICDPGJTOPLUIS-RYUDHWBXSA-N 1 1 367.475 2.093 20 5 FEBDMO CCOc1cc(C[N@@H+](C)CCOCCOCCOC)ccc1[N+](=O)[O-] ZINC000276888633 550607438 /nfs/dbraw/zinc/60/74/38/550607438.db2.gz JSMWPCHCNDSCHV-UHFFFAOYSA-N 1 1 356.419 2.105 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277638764 550695241 /nfs/dbraw/zinc/69/52/41/550695241.db2.gz CKHMYXAOOCUUQQ-LLVKDONJSA-N 1 1 371.401 2.112 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000495083535 561482168 /nfs/dbraw/zinc/48/21/68/561482168.db2.gz CRBNDPOIASKPBY-LBPRGKRZSA-N 1 1 353.444 2.109 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000495083535 561482169 /nfs/dbraw/zinc/48/21/69/561482169.db2.gz CRBNDPOIASKPBY-LBPRGKRZSA-N 1 1 353.444 2.109 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278505681 550793464 /nfs/dbraw/zinc/79/34/64/550793464.db2.gz LUNCOXYKUDUWFW-LBPRGKRZSA-N 1 1 355.822 2.479 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCO1 ZINC000278519058 550794657 /nfs/dbraw/zinc/79/46/57/550794657.db2.gz MQVNBIUIDCVVGH-CQSZACIVSA-N 1 1 372.425 2.374 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000278887924 550832721 /nfs/dbraw/zinc/83/27/21/550832721.db2.gz PVZJTPIELBPCFK-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000279600341 550907460 /nfs/dbraw/zinc/90/74/60/550907460.db2.gz DLCWYGIYUWINLM-LIRRHRJNSA-N 1 1 372.425 2.375 20 5 FEBDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000279600341 550907461 /nfs/dbraw/zinc/90/74/61/550907461.db2.gz DLCWYGIYUWINLM-LIRRHRJNSA-N 1 1 372.425 2.375 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000279745552 550924357 /nfs/dbraw/zinc/92/43/57/550924357.db2.gz KXFZMTXXZCJJPD-SUNYJGFJSA-N 1 1 366.414 2.251 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000279745552 550924358 /nfs/dbraw/zinc/92/43/58/550924358.db2.gz KXFZMTXXZCJJPD-SUNYJGFJSA-N 1 1 366.414 2.251 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000280248438 550974332 /nfs/dbraw/zinc/97/43/32/550974332.db2.gz BHBADQDCKNEZES-ZDUSSCGKSA-N 1 1 365.430 2.415 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280264661 550975297 /nfs/dbraw/zinc/97/52/97/550975297.db2.gz MCDHJXMZQVIHEQ-AUUYWEPGSA-N 1 1 372.425 2.375 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280264661 550975298 /nfs/dbraw/zinc/97/52/98/550975298.db2.gz MCDHJXMZQVIHEQ-AUUYWEPGSA-N 1 1 372.425 2.375 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000280943240 551048074 /nfs/dbraw/zinc/04/80/74/551048074.db2.gz IBDCGLLHXRUYNE-MJGOQNOKSA-N 1 1 373.409 2.021 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281214901 551074834 /nfs/dbraw/zinc/07/48/34/551074834.db2.gz SQXJDJOMDNMDCL-HWPZZCPQSA-N 1 1 368.821 2.033 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281214901 551074836 /nfs/dbraw/zinc/07/48/36/551074836.db2.gz SQXJDJOMDNMDCL-HWPZZCPQSA-N 1 1 368.821 2.033 20 5 FEBDMO O=C1N[C@H]2CC[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]2CO1 ZINC000281249681 551077995 /nfs/dbraw/zinc/07/79/95/551077995.db2.gz GSTUEGNCCLMPPV-DOMZBBRYSA-N 1 1 358.354 2.180 20 5 FEBDMO O=C1N[C@H]2CC[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]2CO1 ZINC000281249681 551077997 /nfs/dbraw/zinc/07/79/97/551077997.db2.gz GSTUEGNCCLMPPV-DOMZBBRYSA-N 1 1 358.354 2.180 20 5 FEBDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000281270668 551079734 /nfs/dbraw/zinc/07/97/34/551079734.db2.gz WFCFNZCXIIEWRA-GFCCVEGCSA-N 1 1 361.851 2.353 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000281270668 551079735 /nfs/dbraw/zinc/07/97/35/551079735.db2.gz WFCFNZCXIIEWRA-GFCCVEGCSA-N 1 1 361.851 2.353 20 5 FEBDMO CN(CC(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390048 561499991 /nfs/dbraw/zinc/49/99/91/561499991.db2.gz YNRPBGKBNVZBDU-DLBZAZTESA-N 1 1 368.437 2.245 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497534554 561503424 /nfs/dbraw/zinc/50/34/24/561503424.db2.gz RDSNNFZHQFJZMB-CQSZACIVSA-N 1 1 367.471 2.166 20 5 FEBDMO COC(=O)CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000497741166 561507777 /nfs/dbraw/zinc/50/77/77/561507777.db2.gz BFEMOCTYKWZVCV-UHFFFAOYSA-N 1 1 360.370 2.420 20 5 FEBDMO O=C(CC[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000283295491 551343625 /nfs/dbraw/zinc/34/36/25/551343625.db2.gz MZKUTHMEIBOVKS-LSDHHAIUSA-N 1 1 351.428 2.130 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000283380469 551356768 /nfs/dbraw/zinc/35/67/68/551356768.db2.gz DEZJDWYMBBAWNC-UHFFFAOYSA-N 1 1 358.398 2.467 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497957988 561512390 /nfs/dbraw/zinc/51/23/90/561512390.db2.gz GGARNHZXIAUNIA-HIFRSBDPSA-N 1 1 370.409 2.336 20 5 FEBDMO CCOc1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000498102657 561516109 /nfs/dbraw/zinc/51/61/09/561516109.db2.gz VPQFZAIJYKEISA-LBPRGKRZSA-N 1 1 363.414 2.216 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1SC ZINC000498711008 561532462 /nfs/dbraw/zinc/53/24/62/561532462.db2.gz RXZQUWWDBYEPSB-LLVKDONJSA-N 1 1 353.444 2.492 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000285493533 551765349 /nfs/dbraw/zinc/76/53/49/551765349.db2.gz DRWXYLLPBMOXGU-YIONKMFJSA-N 1 1 367.471 2.457 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286031202 551840537 /nfs/dbraw/zinc/84/05/37/551840537.db2.gz QJMKXHIBTZHMAV-GUDVDZBRSA-N 1 1 369.421 2.261 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000286113964 551850195 /nfs/dbraw/zinc/85/01/95/551850195.db2.gz JENAKKBDYAUMER-KGLIPLIRSA-N 1 1 350.419 2.130 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000500118117 561566394 /nfs/dbraw/zinc/56/63/94/561566394.db2.gz CTXPXYDXSOCFER-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000289899274 552396348 /nfs/dbraw/zinc/39/63/48/552396348.db2.gz MZSYKZDWNAHKFR-NSHDSACASA-N 1 1 362.167 2.420 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000500495569 561575080 /nfs/dbraw/zinc/57/50/80/561575080.db2.gz SPHPQPDIGYGMOE-UHFFFAOYSA-N 1 1 367.471 2.389 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@@H+](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000500495569 561575081 /nfs/dbraw/zinc/57/50/81/561575081.db2.gz SPHPQPDIGYGMOE-UHFFFAOYSA-N 1 1 367.471 2.389 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291611673 552643245 /nfs/dbraw/zinc/64/32/45/552643245.db2.gz CIFLGJNBEOYDJT-HXUWFJFHSA-N 1 1 369.421 2.478 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291611673 552643246 /nfs/dbraw/zinc/64/32/46/552643246.db2.gz CIFLGJNBEOYDJT-HXUWFJFHSA-N 1 1 369.421 2.478 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])n1C ZINC000293578203 552837020 /nfs/dbraw/zinc/83/70/20/552837020.db2.gz WWBAJFRKCHNWQF-UHFFFAOYSA-N 1 1 360.418 2.129 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000293902959 552866483 /nfs/dbraw/zinc/86/64/83/552866483.db2.gz NBBRFVUGPHIBPB-DLBZAZTESA-N 1 1 370.409 2.078 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295368570 552995290 /nfs/dbraw/zinc/99/52/90/552995290.db2.gz PBPZJAQIKHLZGS-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295589468 553029739 /nfs/dbraw/zinc/02/97/39/553029739.db2.gz WMRJYXYATSGOAI-LBPRGKRZSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295589468 553029741 /nfs/dbraw/zinc/02/97/41/553029741.db2.gz WMRJYXYATSGOAI-LBPRGKRZSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000295749864 553053983 /nfs/dbraw/zinc/05/39/83/553053983.db2.gz ZPKXGPBMZPFGIV-TZMCWYRMSA-N 1 1 353.444 2.061 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000296049332 553095885 /nfs/dbraw/zinc/09/58/85/553095885.db2.gz NOHMYDHUEKGPNE-AWEZNQCLSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1cc(F)c(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000296613133 553187686 /nfs/dbraw/zinc/18/76/86/553187686.db2.gz AXRHOWJGTRUMPP-GFCCVEGCSA-N 1 1 368.409 2.351 20 5 FEBDMO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296665695 553195415 /nfs/dbraw/zinc/19/54/15/553195415.db2.gz KIESVYDDEVPFSF-ZDUSSCGKSA-N 1 1 359.430 2.324 20 5 FEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296692196 553198733 /nfs/dbraw/zinc/19/87/33/553198733.db2.gz LZMASNDSPUKDJD-GFCCVEGCSA-N 1 1 357.382 2.051 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000296892722 553225944 /nfs/dbraw/zinc/22/59/44/553225944.db2.gz GSNUKFVVDZZTOF-YHWZYXNKSA-N 1 1 363.414 2.357 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])cc1F ZINC000297768954 553336792 /nfs/dbraw/zinc/33/67/92/553336792.db2.gz LWEMOEKDNCUAMO-SMDDNHRTSA-N 1 1 351.378 2.299 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000503503927 561643060 /nfs/dbraw/zinc/64/30/60/561643060.db2.gz JRFXBSKUZCKXQK-GASCZTMLSA-N 1 1 369.487 2.320 20 5 FEBDMO CC[C@@]1(CO)CCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298602507 553447238 /nfs/dbraw/zinc/44/72/38/553447238.db2.gz SKQUCDVMAXCSMT-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000298999703 553501414 /nfs/dbraw/zinc/50/14/14/553501414.db2.gz JVDQRUDBTBKHJB-AWEZNQCLSA-N 1 1 373.457 2.080 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299255054 553537438 /nfs/dbraw/zinc/53/74/38/553537438.db2.gz JXGNTAAUKYMKQG-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000299284376 553542141 /nfs/dbraw/zinc/54/21/41/553542141.db2.gz DWNQALRTYVRUNI-UHFFFAOYSA-N 1 1 359.430 2.256 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299372199 553554568 /nfs/dbraw/zinc/55/45/68/553554568.db2.gz QFQYBAHVOCKCNG-CYBMUJFWSA-N 1 1 350.419 2.078 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000299429470 553562139 /nfs/dbraw/zinc/56/21/39/553562139.db2.gz XMAUJTZKMGUATO-HOCLYGCPSA-N 1 1 374.441 2.093 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299446916 553564465 /nfs/dbraw/zinc/56/44/65/553564465.db2.gz WHKBFMHBFVPWIQ-LLVKDONJSA-N 1 1 370.837 2.423 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CCO1 ZINC000301058046 553617999 /nfs/dbraw/zinc/61/79/99/553617999.db2.gz BCBJZIAKMGUSFB-LBPRGKRZSA-N 1 1 350.375 2.193 20 5 FEBDMO C[C@@](O)(CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C[NH+]1CCOCC1 ZINC000301738081 553676100 /nfs/dbraw/zinc/67/61/00/553676100.db2.gz CJQAWNXPEPVDMT-CQSZACIVSA-N 1 1 363.336 2.109 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302194940 553709772 /nfs/dbraw/zinc/70/97/72/553709772.db2.gz SFULHJSXMGGFGU-CQSZACIVSA-N 1 1 370.475 2.165 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])cc1Br ZINC000302284557 553714051 /nfs/dbraw/zinc/71/40/51/553714051.db2.gz VMYFQKMULZLKFX-NSHDSACASA-N 1 1 372.267 2.190 20 5 FEBDMO Cc1cccc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1[N+](=O)[O-] ZINC000302488158 553718385 /nfs/dbraw/zinc/71/83/85/553718385.db2.gz IZGQIAZIMWCJFI-KRWDZBQOSA-N 1 1 362.474 2.134 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505603739 561674941 /nfs/dbraw/zinc/67/49/41/561674941.db2.gz BAGGVSQHLANNMY-ZWNOBZJWSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505603739 561674942 /nfs/dbraw/zinc/67/49/42/561674942.db2.gz BAGGVSQHLANNMY-ZWNOBZJWSA-N 1 1 360.357 2.450 20 5 FEBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000331235676 554234817 /nfs/dbraw/zinc/23/48/17/554234817.db2.gz SXQRBJZXVKXRAN-HNNXBMFYSA-N 1 1 369.487 2.479 20 5 FEBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000331235676 554234819 /nfs/dbraw/zinc/23/48/19/554234819.db2.gz SXQRBJZXVKXRAN-HNNXBMFYSA-N 1 1 369.487 2.479 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000509070288 561783852 /nfs/dbraw/zinc/78/38/52/561783852.db2.gz RFFULTFGQBUPFL-HNNXBMFYSA-N 1 1 370.457 2.144 20 5 FEBDMO CNc1cc2c(nn1)CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C2 ZINC000609270139 554354407 /nfs/dbraw/zinc/35/44/07/554354407.db2.gz FRFPRSBFZXDFOR-UHFFFAOYSA-N 1 1 370.413 2.122 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066182 554373104 /nfs/dbraw/zinc/37/31/04/554373104.db2.gz RXYOUINKONYEKF-ZBFHGGJFSA-N 1 1 360.458 2.289 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000332066179 554373151 /nfs/dbraw/zinc/37/31/51/554373151.db2.gz RXYOUINKONYEKF-GDBMZVCRSA-N 1 1 360.458 2.289 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)[C@H]2CCCSC2)c2c(c1)COCO2 ZINC000332317864 554423610 /nfs/dbraw/zinc/42/36/10/554423610.db2.gz HTDIVPBQLJIPMK-AWEZNQCLSA-N 1 1 354.428 2.151 20 5 FEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC000510097988 561824631 /nfs/dbraw/zinc/82/46/31/561824631.db2.gz HXSDKQYYBWREFW-LLVKDONJSA-N 1 1 372.219 2.407 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCOC1 ZINC000510097988 561824633 /nfs/dbraw/zinc/82/46/33/561824633.db2.gz HXSDKQYYBWREFW-LLVKDONJSA-N 1 1 372.219 2.407 20 5 FEBDMO CC[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C[C@H](C)O ZINC000510131183 561826018 /nfs/dbraw/zinc/82/60/18/561826018.db2.gz GYXLOIMPASMTFP-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C[C@H](C)O ZINC000510131183 561826020 /nfs/dbraw/zinc/82/60/20/561826020.db2.gz GYXLOIMPASMTFP-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000332631219 554487141 /nfs/dbraw/zinc/48/71/41/554487141.db2.gz UZTQIRGNXPOBMC-MEDUHNTESA-N 1 1 353.369 2.358 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361026803 554901146 /nfs/dbraw/zinc/90/11/46/554901146.db2.gz CDVULCZZYZFKAG-ZNMIVQPWSA-N 1 1 365.455 2.008 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362022779 554944827 /nfs/dbraw/zinc/94/48/27/554944827.db2.gz MSFKEDDPYMYREX-SMDDNHRTSA-N 1 1 373.862 2.271 20 5 FEBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000362429388 554971961 /nfs/dbraw/zinc/97/19/61/554971961.db2.gz NGENRKMCCDHCFU-UHFFFAOYSA-N 1 1 369.425 2.446 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000362863659 554994200 /nfs/dbraw/zinc/99/42/00/554994200.db2.gz VXAACCWDEPNJBP-IMJJTQAJSA-N 1 1 362.430 2.127 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](n2cccn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000363200588 555052044 /nfs/dbraw/zinc/05/20/44/555052044.db2.gz MRVCWEVLGDBCBD-INIZCTEOSA-N 1 1 355.398 2.018 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](n2cccn2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000363200588 555052046 /nfs/dbraw/zinc/05/20/46/555052046.db2.gz MRVCWEVLGDBCBD-INIZCTEOSA-N 1 1 355.398 2.018 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000363226864 555058836 /nfs/dbraw/zinc/05/88/36/555058836.db2.gz ZJJHAGKBESEZSG-UHFFFAOYSA-N 1 1 372.429 2.296 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458201 555110977 /nfs/dbraw/zinc/11/09/77/555110977.db2.gz ZAWUNTMONOLGTD-NEPJUHHUSA-N 1 1 354.794 2.233 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)C1 ZINC000363585036 555142004 /nfs/dbraw/zinc/14/20/04/555142004.db2.gz GBSCOQVFKUFJEA-OAHLLOKOSA-N 1 1 355.442 2.359 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc2c1OCCO2 ZINC000364335422 555293515 /nfs/dbraw/zinc/29/35/15/555293515.db2.gz IUPHSWODFRVAPZ-AWEZNQCLSA-N 1 1 374.397 2.408 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc2c1OCCO2 ZINC000364335422 555293518 /nfs/dbraw/zinc/29/35/18/555293518.db2.gz IUPHSWODFRVAPZ-AWEZNQCLSA-N 1 1 374.397 2.408 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000364368567 555300502 /nfs/dbraw/zinc/30/05/02/555300502.db2.gz IMLAYMLNVQARPP-UHFFFAOYSA-N 1 1 360.418 2.167 20 5 FEBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512479412 561906817 /nfs/dbraw/zinc/90/68/17/561906817.db2.gz GOGWCUPBBWBPOM-GDBMZVCRSA-N 1 1 361.442 2.499 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764095 555396485 /nfs/dbraw/zinc/39/64/85/555396485.db2.gz KJLPLIXAOXZJRS-QWHCGFSZSA-N 1 1 363.414 2.361 20 5 FEBDMO COC(=O)[C@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764095 555396487 /nfs/dbraw/zinc/39/64/87/555396487.db2.gz KJLPLIXAOXZJRS-QWHCGFSZSA-N 1 1 363.414 2.361 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000365161808 555498978 /nfs/dbraw/zinc/49/89/78/555498978.db2.gz ZCTIWDLRELGCSG-ZDUSSCGKSA-N 1 1 373.413 2.464 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187253 555505800 /nfs/dbraw/zinc/50/58/00/555505800.db2.gz RGOINJBKBULRAH-NWDGAFQWSA-N 1 1 354.794 2.233 20 5 FEBDMO CCc1n[nH]c(C(=O)N2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000365222029 555514996 /nfs/dbraw/zinc/51/49/96/555514996.db2.gz QPTFSFWGTWCDTM-GFCCVEGCSA-N 1 1 358.402 2.300 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC[C@@H]2CNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000365222029 555515001 /nfs/dbraw/zinc/51/50/01/555515001.db2.gz QPTFSFWGTWCDTM-GFCCVEGCSA-N 1 1 358.402 2.300 20 5 FEBDMO CCc1ccc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000365433535 555574838 /nfs/dbraw/zinc/57/48/38/555574838.db2.gz REQSRVMXUGJSPV-UHFFFAOYSA-N 1 1 357.414 2.290 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000513881791 561953157 /nfs/dbraw/zinc/95/31/57/561953157.db2.gz WFWDRZQVMGRUDR-HNNXBMFYSA-N 1 1 355.460 2.087 20 5 FEBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@@H]12 ZINC000366482908 555856569 /nfs/dbraw/zinc/85/65/69/555856569.db2.gz OQJWCRRHJNRSLE-HUUCEWRRSA-N 1 1 371.418 2.418 20 5 FEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366578922 555881988 /nfs/dbraw/zinc/88/19/88/555881988.db2.gz QKFDSSAGIKXIGI-KDOFPFPSSA-N 1 1 363.414 2.193 20 5 FEBDMO Cc1cc(OCC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366584796 555883115 /nfs/dbraw/zinc/88/31/15/555883115.db2.gz SYUGYPJNVBWWJN-ZVZYQTTQSA-N 1 1 359.426 2.225 20 5 FEBDMO Cc1cc(OCC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366584795 555883185 /nfs/dbraw/zinc/88/31/85/555883185.db2.gz SYUGYPJNVBWWJN-YXJHDRRASA-N 1 1 359.426 2.225 20 5 FEBDMO Nc1nccc([C@@H]2CCC[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000366983769 555989215 /nfs/dbraw/zinc/98/92/15/555989215.db2.gz SOCLGYSTLZGRHJ-LLVKDONJSA-N 1 1 354.370 2.488 20 5 FEBDMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C2)n1 ZINC000366983769 555989216 /nfs/dbraw/zinc/98/92/16/555989216.db2.gz SOCLGYSTLZGRHJ-LLVKDONJSA-N 1 1 354.370 2.488 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367283597 556007601 /nfs/dbraw/zinc/00/76/01/556007601.db2.gz XIHXRZWPTMIXKB-SNVBAGLBSA-N 1 1 364.146 2.036 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1[nH+]c(C)n2c1CCCC2 ZINC000367412215 556041526 /nfs/dbraw/zinc/04/15/26/556041526.db2.gz HGDWOGIMKMZMRR-UHFFFAOYSA-N 1 1 373.413 2.444 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514870254 561984256 /nfs/dbraw/zinc/98/42/56/561984256.db2.gz XUUPTIKZBGRELN-BZNIZROVSA-N 1 1 353.369 2.358 20 5 FEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367924796 556174120 /nfs/dbraw/zinc/17/41/20/556174120.db2.gz BXXWYBGDRGJHKC-KSSFIOAISA-N 1 1 360.458 2.260 20 5 FEBDMO Cc1csc2nc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)cc(=O)n12 ZINC000368475379 556321241 /nfs/dbraw/zinc/32/12/41/556321241.db2.gz RZVVEHVOYJUAID-UHFFFAOYSA-N 1 1 374.426 2.006 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000368594798 556356995 /nfs/dbraw/zinc/35/69/95/556356995.db2.gz XLTBHYVPQMSGHP-BZNIZROVSA-N 1 1 356.382 2.015 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000368671760 556381661 /nfs/dbraw/zinc/38/16/61/556381661.db2.gz JOCGKIKQQCBNGV-ROUUACIJSA-N 1 1 374.441 2.033 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000368671760 556381663 /nfs/dbraw/zinc/38/16/63/556381663.db2.gz JOCGKIKQQCBNGV-ROUUACIJSA-N 1 1 374.441 2.033 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000369380764 556585382 /nfs/dbraw/zinc/58/53/82/556585382.db2.gz XTZYADQTYBEDNA-SJKOYZFVSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000369380764 556585383 /nfs/dbraw/zinc/58/53/83/556585383.db2.gz XTZYADQTYBEDNA-SJKOYZFVSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369657439 556661036 /nfs/dbraw/zinc/66/10/36/556661036.db2.gz BKOXKSQXZGNLGR-BHYGNILZSA-N 1 1 374.441 2.229 20 5 FEBDMO C[NH+](C)[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000369688126 556668997 /nfs/dbraw/zinc/66/89/97/556668997.db2.gz IFHYQXTZLSHPJZ-FQEVSTJZSA-N 1 1 369.421 2.493 20 5 FEBDMO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(-c2ccc(F)cc2)no1 ZINC000369903100 556725820 /nfs/dbraw/zinc/72/58/20/556725820.db2.gz UEWTZMNQTSXXKL-NSHDSACASA-N 1 1 373.344 2.296 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3F)C2)c1 ZINC000369974991 556746502 /nfs/dbraw/zinc/74/65/02/556746502.db2.gz QVXWXGYAIXCKCI-DZGCQCFKSA-N 1 1 364.377 2.007 20 5 FEBDMO O=C1[C@H]([N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C1CCOCC1 ZINC000370497634 556890942 /nfs/dbraw/zinc/89/09/42/556890942.db2.gz CLOQTAYVZUDYQF-GOSISDBHSA-N 1 1 359.426 2.339 20 5 FEBDMO O=C1[C@H]([N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCN1C1CCOCC1 ZINC000370497634 556890945 /nfs/dbraw/zinc/89/09/45/556890945.db2.gz CLOQTAYVZUDYQF-GOSISDBHSA-N 1 1 359.426 2.339 20 5 FEBDMO Cc1[nH+]c(CNS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c2n1CCCC2 ZINC000371136978 557085681 /nfs/dbraw/zinc/08/56/81/557085681.db2.gz FURYWHCHHPQSNV-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO CSc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371283163 557130355 /nfs/dbraw/zinc/13/03/55/557130355.db2.gz GZQWGHVJFWVVIH-UONOGXRCSA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371283163 557130357 /nfs/dbraw/zinc/13/03/57/557130357.db2.gz GZQWGHVJFWVVIH-UONOGXRCSA-N 1 1 365.455 2.300 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000371285252 557131206 /nfs/dbraw/zinc/13/12/06/557131206.db2.gz ZBNWHJOUSAYGPC-STQMWFEESA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000371285252 557131210 /nfs/dbraw/zinc/13/12/10/557131210.db2.gz ZBNWHJOUSAYGPC-STQMWFEESA-N 1 1 353.806 2.231 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000371283856 557131556 /nfs/dbraw/zinc/13/15/56/557131556.db2.gz MKARQVDJGBVHJM-QGZVFWFLSA-N 1 1 356.426 2.357 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000371581526 557229426 /nfs/dbraw/zinc/22/94/26/557229426.db2.gz RHUMYOAZEHZICY-PBHICJAKSA-N 1 1 352.398 2.288 20 5 FEBDMO Cn1cc([C@@H]2[C@@H](CNC(=O)Cc3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000371754618 557283683 /nfs/dbraw/zinc/28/36/83/557283683.db2.gz GZZIXQRJQISJOK-BEFAXECRSA-N 1 1 371.441 2.070 20 5 FEBDMO Cn1cc([C@@H]2[C@H](CNC(=O)Cc3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000371754621 557283846 /nfs/dbraw/zinc/28/38/46/557283846.db2.gz GZZIXQRJQISJOK-KXBFYZLASA-N 1 1 371.441 2.070 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371784123 557292644 /nfs/dbraw/zinc/29/26/44/557292644.db2.gz PPTOWROCYBPFHC-VCCRENGCSA-N 1 1 359.426 2.368 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371784123 557292647 /nfs/dbraw/zinc/29/26/47/557292647.db2.gz PPTOWROCYBPFHC-VCCRENGCSA-N 1 1 359.426 2.368 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000372497309 557486148 /nfs/dbraw/zinc/48/61/48/557486148.db2.gz PQNQXHUOYGJRAX-SFHVURJKSA-N 1 1 357.414 2.113 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000372543535 557498911 /nfs/dbraw/zinc/49/89/11/557498911.db2.gz FAAGCDCHHFTNLC-ZSOGYDGISA-N 1 1 365.434 2.311 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1 ZINC000372819911 557568878 /nfs/dbraw/zinc/56/88/78/557568878.db2.gz GCZWROAJRPYZNZ-QWHCGFSZSA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1 ZINC000372819911 557568880 /nfs/dbraw/zinc/56/88/80/557568880.db2.gz GCZWROAJRPYZNZ-QWHCGFSZSA-N 1 1 365.455 2.300 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000373929127 557789194 /nfs/dbraw/zinc/78/91/94/557789194.db2.gz LPRXCZYLDDCZSM-ZIAGYGMSSA-N 1 1 355.398 2.137 20 5 FEBDMO COc1ccc(NC(=O)C[NH2+][C@@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000520640868 562160747 /nfs/dbraw/zinc/16/07/47/562160747.db2.gz OXIUFAHQNCOBKJ-HNNXBMFYSA-N 1 1 363.345 2.004 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000374022341 557809340 /nfs/dbraw/zinc/80/93/40/557809340.db2.gz PFPMWINCOIEFKX-BZPMIXESSA-N 1 1 353.444 2.370 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000374597697 557904500 /nfs/dbraw/zinc/90/45/00/557904500.db2.gz WBUWZPMNSGQOEY-OAHLLOKOSA-N 1 1 362.474 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000374597697 557904501 /nfs/dbraw/zinc/90/45/01/557904501.db2.gz WBUWZPMNSGQOEY-OAHLLOKOSA-N 1 1 362.474 2.204 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000374917078 557950810 /nfs/dbraw/zinc/95/08/10/557950810.db2.gz XWYWZBUTPQETGE-GWCFXTLKSA-N 1 1 355.341 2.362 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C[C@H]21 ZINC000375050316 557969972 /nfs/dbraw/zinc/96/99/72/557969972.db2.gz QIGUPNDMKMDDNF-KBXCAEBGSA-N 1 1 358.442 2.361 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375284465 558004310 /nfs/dbraw/zinc/00/43/10/558004310.db2.gz PGLFDNBHXYWSRB-UGSOOPFHSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000375284465 558004311 /nfs/dbraw/zinc/00/43/11/558004311.db2.gz PGLFDNBHXYWSRB-UGSOOPFHSA-N 1 1 363.414 2.433 20 5 FEBDMO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375351621 558013846 /nfs/dbraw/zinc/01/38/46/558013846.db2.gz DNFRBWJRJAJOND-JJMVLAAESA-N 1 1 371.397 2.353 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375443944 558028303 /nfs/dbraw/zinc/02/83/03/558028303.db2.gz HRCLSZCLPASDCO-ZIAGYGMSSA-N 1 1 374.397 2.084 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000376425349 558171165 /nfs/dbraw/zinc/17/11/65/558171165.db2.gz CKYIBRLLADWBKA-VIFPVBQESA-N 1 1 358.324 2.450 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1 ZINC000376425349 558171167 /nfs/dbraw/zinc/17/11/67/558171167.db2.gz CKYIBRLLADWBKA-VIFPVBQESA-N 1 1 358.324 2.450 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000377168180 558280726 /nfs/dbraw/zinc/28/07/26/558280726.db2.gz JPKCRNMXXGKTRW-XYPHTWIQSA-N 1 1 374.441 2.350 20 5 FEBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000377841406 558433003 /nfs/dbraw/zinc/43/30/03/558433003.db2.gz AREMPJDNTHOCJG-NSHDSACASA-N 1 1 356.810 2.169 20 5 FEBDMO Cc1[nH+]c(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c2n1CCCC2 ZINC000378283311 558519396 /nfs/dbraw/zinc/51/93/96/558519396.db2.gz CERVFXGATFZNSR-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO C[C@@H]1C[N@@H+](CCOC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000409717769 558715896 /nfs/dbraw/zinc/71/58/96/558715896.db2.gz SFLMMHBZXCUVGW-BETUJISGSA-N 1 1 370.475 2.146 20 5 FEBDMO C[C@@H]1C[N@H+](CCOC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000409717769 558715898 /nfs/dbraw/zinc/71/58/98/558715898.db2.gz SFLMMHBZXCUVGW-BETUJISGSA-N 1 1 370.475 2.146 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524780777 562234606 /nfs/dbraw/zinc/23/46/06/562234606.db2.gz NAAUPNAYQNUFEF-ZFWWWQNUSA-N 1 1 350.419 2.098 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000411408929 558889379 /nfs/dbraw/zinc/88/93/79/558889379.db2.gz PATYWASSCDFIRV-KBPBESRZSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000411408929 558889381 /nfs/dbraw/zinc/88/93/81/558889381.db2.gz PATYWASSCDFIRV-KBPBESRZSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000411424710 558892596 /nfs/dbraw/zinc/89/25/96/558892596.db2.gz LLTMVTUZTDKJTL-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000411424710 558892597 /nfs/dbraw/zinc/89/25/97/558892597.db2.gz LLTMVTUZTDKJTL-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000411424710 558892599 /nfs/dbraw/zinc/89/25/99/558892599.db2.gz LLTMVTUZTDKJTL-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000411428585 558893475 /nfs/dbraw/zinc/89/34/75/558893475.db2.gz QAGJFUNJJAGMLD-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000411428585 558893477 /nfs/dbraw/zinc/89/34/77/558893477.db2.gz QAGJFUNJJAGMLD-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000411428585 558893478 /nfs/dbraw/zinc/89/34/78/558893478.db2.gz QAGJFUNJJAGMLD-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1F ZINC000411473572 558901179 /nfs/dbraw/zinc/90/11/79/558901179.db2.gz OZRKWIGPIJBIEU-NEPJUHHUSA-N 1 1 351.378 2.028 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000411484174 558902699 /nfs/dbraw/zinc/90/26/99/558902699.db2.gz OPWNPXOJFVQLIJ-OAHLLOKOSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000411553123 558916325 /nfs/dbraw/zinc/91/63/25/558916325.db2.gz ICLMYRBHQKDZOY-SUYBPPKGSA-N 1 1 374.441 2.030 20 5 FEBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411776765 558960638 /nfs/dbraw/zinc/96/06/38/558960638.db2.gz XOHSFVWOSFBBEQ-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525809897 562255846 /nfs/dbraw/zinc/25/58/46/562255846.db2.gz YSJANGBJMOGNDP-OAHLLOKOSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc(NC(=O)CCN(C)[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000411858296 558977550 /nfs/dbraw/zinc/97/75/50/558977550.db2.gz CQAVTBGXCIRQNU-CQSZACIVSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000411858296 558977551 /nfs/dbraw/zinc/97/75/51/558977551.db2.gz CQAVTBGXCIRQNU-CQSZACIVSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000411858296 558977553 /nfs/dbraw/zinc/97/75/53/558977553.db2.gz CQAVTBGXCIRQNU-CQSZACIVSA-N 1 1 364.446 2.347 20 5 FEBDMO COCC(COC)[NH+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000411862424 558978217 /nfs/dbraw/zinc/97/82/17/558978217.db2.gz PGDYGSVRUREDAA-UHFFFAOYSA-N 1 1 357.838 2.027 20 5 FEBDMO O=C(CC[N@H+]1CCc2ccccc2C1)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000416187166 559297194 /nfs/dbraw/zinc/29/71/94/559297194.db2.gz DYVMGZDYQFODSA-UHFFFAOYSA-N 1 1 366.421 2.323 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000416304440 559304411 /nfs/dbraw/zinc/30/44/11/559304411.db2.gz YZXLCEJARURWBO-UONOGXRCSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000416304440 559304412 /nfs/dbraw/zinc/30/44/12/559304412.db2.gz YZXLCEJARURWBO-UONOGXRCSA-N 1 1 363.458 2.419 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416389340 559309412 /nfs/dbraw/zinc/30/94/12/559309412.db2.gz MSTJHNAPMFOMHF-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416389340 559309413 /nfs/dbraw/zinc/30/94/13/559309413.db2.gz MSTJHNAPMFOMHF-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1C ZINC000416552741 559321430 /nfs/dbraw/zinc/32/14/30/559321430.db2.gz HYWUPNNXQGCNBF-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416991762 559342661 /nfs/dbraw/zinc/34/26/61/559342661.db2.gz CRGDZGSQABRUFA-ZIAGYGMSSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416991762 559342662 /nfs/dbraw/zinc/34/26/62/559342662.db2.gz CRGDZGSQABRUFA-ZIAGYGMSSA-N 1 1 350.419 2.130 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000418996201 559424814 /nfs/dbraw/zinc/42/48/14/559424814.db2.gz JTRMIUSIIOORTC-OLZOCXBDSA-N 1 1 360.414 2.043 20 5 FEBDMO Cc1cccc(C[NH+]2CCN(c3c(C(N)=O)cccc3[N+](=O)[O-])CC2)c1 ZINC000420592431 559493283 /nfs/dbraw/zinc/49/32/83/559493283.db2.gz WKNRPDGQCQSBBZ-UHFFFAOYSA-N 1 1 354.410 2.324 20 5 FEBDMO CCCN1C[C@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421353270 559539980 /nfs/dbraw/zinc/53/99/80/559539980.db2.gz PBXCXISSJLIGON-KSSFIOAISA-N 1 1 371.441 2.266 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000527327347 562285478 /nfs/dbraw/zinc/28/54/78/562285478.db2.gz PPRBXEAWTVHRLV-UHFFFAOYSA-N 1 1 362.430 2.112 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000426128129 559730065 /nfs/dbraw/zinc/73/00/65/559730065.db2.gz OULYETJRMNDEBL-LLVKDONJSA-N 1 1 361.320 2.104 20 5 FEBDMO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428546127 559777837 /nfs/dbraw/zinc/77/78/37/559777837.db2.gz WOMULAXZUJASJZ-INIZCTEOSA-N 1 1 357.366 2.119 20 5 FEBDMO O=C(Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428546127 559777838 /nfs/dbraw/zinc/77/78/38/559777838.db2.gz WOMULAXZUJASJZ-INIZCTEOSA-N 1 1 357.366 2.119 20 5 FEBDMO CC[C@H](C)[C@@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000429258237 559794028 /nfs/dbraw/zinc/79/40/28/559794028.db2.gz GSAVEZHIJZFEOS-BLLLJJGKSA-N 1 1 365.430 2.123 20 5 FEBDMO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cc(C(F)(F)F)on1 ZINC000429259807 559794067 /nfs/dbraw/zinc/79/40/67/559794067.db2.gz ZCKYFOYZTCVITR-UHFFFAOYSA-N 1 1 360.292 2.288 20 5 FEBDMO COc1cc[nH+]c(N2CCN(Cc3ccc([N+](=O)[O-])cc3OC)CC2)c1 ZINC000430220847 559815643 /nfs/dbraw/zinc/81/56/43/559815643.db2.gz SEJCKHKMYDRMEQ-UHFFFAOYSA-N 1 1 358.398 2.329 20 5 FEBDMO Cc1c(CNC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000433456676 559881911 /nfs/dbraw/zinc/88/19/11/559881911.db2.gz NDADHJVULBHPOA-AWEZNQCLSA-N 1 1 364.446 2.203 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000437276477 559962791 /nfs/dbraw/zinc/96/27/91/559962791.db2.gz UBAUWHIOCFWVBY-UHFFFAOYSA-N 1 1 363.361 2.392 20 5 FEBDMO NC(=O)c1cccc(NCc2ccccc2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000439099273 559988521 /nfs/dbraw/zinc/98/85/21/559988521.db2.gz NNGGNIQCZHQWJV-UHFFFAOYSA-N 1 1 370.409 2.138 20 5 FEBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000439485245 559995433 /nfs/dbraw/zinc/99/54/33/559995433.db2.gz IOYIVACSJMOTDT-SFHVURJKSA-N 1 1 366.414 2.265 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000443063236 560068668 /nfs/dbraw/zinc/06/86/68/560068668.db2.gz DBGKMJHICPRHDK-JSGCOSHPSA-N 1 1 352.387 2.146 20 5 FEBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000443724115 560091235 /nfs/dbraw/zinc/09/12/35/560091235.db2.gz ZRFGCKVAUKGIQM-UHFFFAOYSA-N 1 1 369.487 2.478 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000444922744 560124932 /nfs/dbraw/zinc/12/49/32/560124932.db2.gz PIFRCYQANMZISZ-AWEZNQCLSA-N 1 1 366.418 2.082 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445140348 560129615 /nfs/dbraw/zinc/12/96/15/560129615.db2.gz SHJTVCAUXUMWGL-KBPBESRZSA-N 1 1 370.409 2.430 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447939365 560174032 /nfs/dbraw/zinc/17/40/32/560174032.db2.gz KBDJTVGWWNDTBH-OAHLLOKOSA-N 1 1 371.459 2.002 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000447946378 560174339 /nfs/dbraw/zinc/17/43/39/560174339.db2.gz UXCWQZNMDCZUPF-HNNXBMFYSA-N 1 1 355.460 2.135 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000449398313 560228837 /nfs/dbraw/zinc/22/88/37/560228837.db2.gz XRGISQAEXRGFBR-AWEZNQCLSA-N 1 1 359.373 2.133 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000449398313 560228838 /nfs/dbraw/zinc/22/88/38/560228838.db2.gz XRGISQAEXRGFBR-AWEZNQCLSA-N 1 1 359.373 2.133 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450054525 560249419 /nfs/dbraw/zinc/24/94/19/560249419.db2.gz YAADDCSUPLKDJA-CVEARBPZSA-N 1 1 369.425 2.479 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450234065 560255153 /nfs/dbraw/zinc/25/51/53/560255153.db2.gz PPNHAQPLXRFWRO-HZPDHXFCSA-N 1 1 369.425 2.337 20 5 FEBDMO COC(=O)Cc1ccc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000450246938 560255668 /nfs/dbraw/zinc/25/56/68/560255668.db2.gz WNEGTFDNTCATIV-KRWDZBQOSA-N 1 1 365.430 2.079 20 5 FEBDMO COCC[N@H+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC000450313092 560258138 /nfs/dbraw/zinc/25/81/38/560258138.db2.gz OXMGFIOUXZFEJQ-ZDUSSCGKSA-N 1 1 360.414 2.309 20 5 FEBDMO CC[NH+]1CCN(CC(C)(C)Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000450923056 560278602 /nfs/dbraw/zinc/27/86/02/560278602.db2.gz PTHNTRTVTFMNJX-UHFFFAOYSA-N 1 1 364.475 2.428 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450927830 560278889 /nfs/dbraw/zinc/27/88/89/560278889.db2.gz DSBVRQSNMKXFKA-OAHLLOKOSA-N 1 1 357.414 2.383 20 5 FEBDMO COc1cc(-c2noc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])n2)ncn1 ZINC000450978808 560281057 /nfs/dbraw/zinc/28/10/57/560281057.db2.gz ZZZYQZMZZDLEAX-UHFFFAOYSA-N 1 1 370.369 2.118 20 5 FEBDMO COc1cc(-c2noc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])n2)ncn1 ZINC000450978808 560281058 /nfs/dbraw/zinc/28/10/58/560281058.db2.gz ZZZYQZMZZDLEAX-UHFFFAOYSA-N 1 1 370.369 2.118 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451814227 560330297 /nfs/dbraw/zinc/33/02/97/560330297.db2.gz SYKZRDXAKSYMEG-STQMWFEESA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451814227 560330298 /nfs/dbraw/zinc/33/02/98/560330298.db2.gz SYKZRDXAKSYMEG-STQMWFEESA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCNC(C)(C)C[NH+]1CCCC1 ZINC000452096530 560351131 /nfs/dbraw/zinc/35/11/31/560351131.db2.gz NWJDGHLRCXHBHU-UHFFFAOYSA-N 1 1 364.446 2.396 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452125788 560352977 /nfs/dbraw/zinc/35/29/77/560352977.db2.gz JNGHMJTVRPKJAC-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452125788 560352978 /nfs/dbraw/zinc/35/29/78/560352978.db2.gz JNGHMJTVRPKJAC-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452133760 560353277 /nfs/dbraw/zinc/35/32/77/560353277.db2.gz STCCGJUOPHYLFN-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452133760 560353278 /nfs/dbraw/zinc/35/32/78/560353278.db2.gz STCCGJUOPHYLFN-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000455245269 560475318 /nfs/dbraw/zinc/47/53/18/560475318.db2.gz LFLQEUBCJRIKJA-CQSZACIVSA-N 1 1 350.419 2.180 20 5 FEBDMO CNc1nc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000456000225 560503940 /nfs/dbraw/zinc/50/39/40/560503940.db2.gz QVMBWRYMORTWFD-IUODEOHRSA-N 1 1 359.430 2.120 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456065975 560505886 /nfs/dbraw/zinc/50/58/86/560505886.db2.gz VDTFSDPAWHMCBV-HNNXBMFYSA-N 1 1 369.425 2.030 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456065975 560505887 /nfs/dbraw/zinc/50/58/87/560505887.db2.gz VDTFSDPAWHMCBV-HNNXBMFYSA-N 1 1 369.425 2.030 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000457929024 560594597 /nfs/dbraw/zinc/59/45/97/560594597.db2.gz MZOPOHZHEVXOON-ZDUSSCGKSA-N 1 1 362.430 2.229 20 5 FEBDMO CC[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514710 560628809 /nfs/dbraw/zinc/62/88/09/560628809.db2.gz RLIWCSKMIAYFGW-RDJZCZTQSA-N 1 1 364.446 2.192 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000459278697 560677509 /nfs/dbraw/zinc/67/75/09/560677509.db2.gz BMMMJTIPPMXJRR-CQSZACIVSA-N 1 1 362.430 2.099 20 5 FEBDMO CC(C)C[N@H+](Cc1cnn(C)c1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459601358 560697032 /nfs/dbraw/zinc/69/70/32/560697032.db2.gz XKKGBYBFUQLHBJ-INIZCTEOSA-N 1 1 362.430 2.226 20 5 FEBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@](O)(CO)C3)o2)c([N+](=O)[O-])c1 ZINC000459717182 560704241 /nfs/dbraw/zinc/70/42/41/560704241.db2.gz MFRJGTZXECVSLG-GOSISDBHSA-N 1 1 362.382 2.183 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468320773 560927049 /nfs/dbraw/zinc/92/70/49/560927049.db2.gz AOVNKKSCPSAJCC-OAHLLOKOSA-N 1 1 362.430 2.242 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000468702405 560936549 /nfs/dbraw/zinc/93/65/49/560936549.db2.gz AYSINLZKOKHZIM-GFCCVEGCSA-N 1 1 353.444 2.427 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000468702405 560936550 /nfs/dbraw/zinc/93/65/50/560936550.db2.gz AYSINLZKOKHZIM-GFCCVEGCSA-N 1 1 353.444 2.427 20 5 FEBDMO O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000469858012 560966945 /nfs/dbraw/zinc/96/69/45/560966945.db2.gz AAZSLYKREVRQQX-AWEZNQCLSA-N 1 1 360.439 2.270 20 5 FEBDMO O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])[nH]1 ZINC000469858012 560966946 /nfs/dbraw/zinc/96/69/46/560966946.db2.gz AAZSLYKREVRQQX-AWEZNQCLSA-N 1 1 360.439 2.270 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470173252 560975949 /nfs/dbraw/zinc/97/59/49/560975949.db2.gz KKXXVYRGWAELOO-OVHOFWQVSA-N 1 1 353.444 2.012 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000470182980 560976372 /nfs/dbraw/zinc/97/63/72/560976372.db2.gz LJSAUMZJVZQDEN-SDNWHVSQSA-N 1 1 367.471 2.354 20 5 FEBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208204 560976755 /nfs/dbraw/zinc/97/67/55/560976755.db2.gz GOTDCSGSXBEQNL-LPDYGMJQSA-N 1 1 371.397 2.323 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000473177379 561043430 /nfs/dbraw/zinc/04/34/30/561043430.db2.gz NFOAMPSGUDZVPL-HZMBPMFUSA-N 1 1 365.411 2.315 20 5 FEBDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475110849 561090699 /nfs/dbraw/zinc/09/06/99/561090699.db2.gz OOKCURKMOGPUML-HNNXBMFYSA-N 1 1 366.414 2.395 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000475131170 561091209 /nfs/dbraw/zinc/09/12/09/561091209.db2.gz TWPSDCJWEXRUAL-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000476355962 561117502 /nfs/dbraw/zinc/11/75/02/561117502.db2.gz RKIVHQSPOLOLRI-HNNXBMFYSA-N 1 1 357.414 2.113 20 5 FEBDMO CC(C)(O)C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000530701053 562421197 /nfs/dbraw/zinc/42/11/97/562421197.db2.gz XLOAJYQHVNVZEU-UHFFFAOYSA-N 1 1 366.414 2.213 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CCOCC1 ZINC000533447778 562509081 /nfs/dbraw/zinc/50/90/81/562509081.db2.gz OMEPZMZTNYJUNR-UHFFFAOYSA-N 1 1 372.219 2.407 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](C)CC1 ZINC000534251850 562528605 /nfs/dbraw/zinc/52/86/05/562528605.db2.gz VFUIPGXBXGHXPJ-KRWDZBQOSA-N 1 1 373.457 2.078 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000535271173 562554756 /nfs/dbraw/zinc/55/47/56/562554756.db2.gz PRHSDHAPYJJABE-INIZCTEOSA-N 1 1 351.366 2.388 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000535271173 562554757 /nfs/dbraw/zinc/55/47/57/562554757.db2.gz PRHSDHAPYJJABE-INIZCTEOSA-N 1 1 351.366 2.388 20 5 FEBDMO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000541942417 562623982 /nfs/dbraw/zinc/62/39/82/562623982.db2.gz BOONPROATVUFKH-UHFFFAOYSA-N 1 1 355.341 2.364 20 5 FEBDMO COc1ccc(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542069873 562626327 /nfs/dbraw/zinc/62/63/27/562626327.db2.gz KNHDORBSPTWGMW-LJQANCHMSA-N 1 1 371.393 2.179 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000546063832 562633230 /nfs/dbraw/zinc/63/32/30/562633230.db2.gz RDHPSZIMWPGXPX-OAHLLOKOSA-N 1 1 367.471 2.088 20 5 FEBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2C1 ZINC000568795557 568221962 /nfs/dbraw/zinc/22/19/62/568221962.db2.gz UFBRQFMXXXJMNY-UHFFFAOYSA-N 1 1 360.435 2.468 20 5 FEBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2C1 ZINC000568795557 568221963 /nfs/dbraw/zinc/22/19/63/568221963.db2.gz UFBRQFMXXXJMNY-UHFFFAOYSA-N 1 1 360.435 2.468 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556067 599123808 /nfs/dbraw/zinc/12/38/08/599123808.db2.gz UVEANNXVTSXOEI-GFCCVEGCSA-N 1 1 356.390 2.055 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](Cc3ccccn3)CC2)s1 ZINC000557475588 674450318 /nfs/dbraw/zinc/45/03/18/674450318.db2.gz OPOJUXJVVCINBG-UHFFFAOYSA-N 1 1 356.411 2.317 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557494480 674450922 /nfs/dbraw/zinc/45/09/22/674450922.db2.gz ZKJRJCCHGIFCSE-WCQYABFASA-N 1 1 350.419 2.617 20 5 FEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000738357161 599534499 /nfs/dbraw/zinc/53/44/99/599534499.db2.gz DPVXALLSKLYEHZ-UHFFFAOYSA-N 1 1 357.418 2.230 20 5 FEBDMO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)NC(=O)NC1=O ZINC000809705147 674506247 /nfs/dbraw/zinc/50/62/47/674506247.db2.gz OVQDBYBLSVXCRX-MEDUHNTESA-N 1 1 366.805 2.201 20 5 FEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000809821052 674512922 /nfs/dbraw/zinc/51/29/22/674512922.db2.gz HHFQCVBJYICEOP-DTWKUNHWSA-N 1 1 365.814 2.148 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000809861193 674518038 /nfs/dbraw/zinc/51/80/38/674518038.db2.gz SJMDHGWDRCRRNL-VIFPVBQESA-N 1 1 367.830 2.394 20 5 FEBDMO COc1cc(C[N@@H+](CCNC(C)=O)C2CCSCC2)ccc1[N+](=O)[O-] ZINC000558864700 674518536 /nfs/dbraw/zinc/51/85/36/674518536.db2.gz ZWVMJWARUJYYGV-UHFFFAOYSA-N 1 1 367.471 2.437 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810441054 674544958 /nfs/dbraw/zinc/54/49/58/674544958.db2.gz BIFJHXIYIXKEIF-JTQLQIEISA-N 1 1 356.810 2.032 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000826029197 608379612 /nfs/dbraw/zinc/37/96/12/608379612.db2.gz QIOVXQQRXWSIFL-NSHDSACASA-N 1 1 368.401 2.077 20 5 FEBDMO COCC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000581279291 671880891 /nfs/dbraw/zinc/88/08/91/671880891.db2.gz VWFDCTJRUXHNJG-UHFFFAOYSA-N 1 1 350.156 2.278 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811600641 674616382 /nfs/dbraw/zinc/61/63/82/674616382.db2.gz JPNAJKNYVDNICU-LBPRGKRZSA-N 1 1 352.391 2.281 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811938852 674641006 /nfs/dbraw/zinc/64/10/06/674641006.db2.gz JPNAJKNYVDNICU-GFCCVEGCSA-N 1 1 352.391 2.281 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000816950188 675090041 /nfs/dbraw/zinc/09/00/41/675090041.db2.gz MZKFCBOCARPTIF-PELKAZGASA-N 1 1 372.194 2.273 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000565417162 675119796 /nfs/dbraw/zinc/11/97/96/675119796.db2.gz OWYVMPZTJGOZKQ-HNNXBMFYSA-N 1 1 369.487 2.079 20 5 FEBDMO CC(C)N1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000565417162 675119797 /nfs/dbraw/zinc/11/97/97/675119797.db2.gz OWYVMPZTJGOZKQ-HNNXBMFYSA-N 1 1 369.487 2.079 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000574153494 671208326 /nfs/dbraw/zinc/20/83/26/671208326.db2.gz KCKRENIDKITMMZ-CQSZACIVSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000574153494 671208328 /nfs/dbraw/zinc/20/83/28/671208328.db2.gz KCKRENIDKITMMZ-CQSZACIVSA-N 1 1 353.444 2.014 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000818033479 675192290 /nfs/dbraw/zinc/19/22/90/675192290.db2.gz ICWJZTJWDOSFAB-LSDHHAIUSA-N 1 1 353.806 2.183 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000608813260 675904672 /nfs/dbraw/zinc/90/46/72/675904672.db2.gz IAEWJSFPCPZVFR-UHFFFAOYSA-N 1 1 351.451 2.105 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000609269209 675916350 /nfs/dbraw/zinc/91/63/50/675916350.db2.gz NEOWCCVTQVMLSD-LBPRGKRZSA-N 1 1 353.444 2.157 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000578009292 671634253 /nfs/dbraw/zinc/63/42/53/671634253.db2.gz NWDMYPIZXWJZKB-LSDHHAIUSA-N 1 1 353.444 2.062 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000580186479 671788674 /nfs/dbraw/zinc/78/86/74/671788674.db2.gz WBAZOLSRGLKTQE-CQSZACIVSA-N 1 1 367.471 2.452 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000610135309 675956215 /nfs/dbraw/zinc/95/62/15/675956215.db2.gz PLMNXMXWPUCKQE-VXGBXAGGSA-N 1 1 359.423 2.227 20 5 FEBDMO CC[NH+]1CCN(C(=O)[C@@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000122456180 671967059 /nfs/dbraw/zinc/96/70/59/671967059.db2.gz FQDYBLWRAYZVKU-CYBMUJFWSA-N 1 1 368.865 2.233 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000129577752 672063972 /nfs/dbraw/zinc/06/39/72/672063972.db2.gz VIPRKUJXNWIMDD-NSHDSACASA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000129577752 672063975 /nfs/dbraw/zinc/06/39/75/672063975.db2.gz VIPRKUJXNWIMDD-NSHDSACASA-N 1 1 361.851 2.271 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000583991869 672145370 /nfs/dbraw/zinc/14/53/70/672145370.db2.gz ANSMDVZIPWHZDD-RHSMWYFYSA-N 1 1 368.455 2.260 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C2)C1 ZINC000584071041 672153010 /nfs/dbraw/zinc/15/30/10/672153010.db2.gz MJCONBMCDPWOJC-INIZCTEOSA-N 1 1 355.341 2.364 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C2)C1 ZINC000584071042 672153160 /nfs/dbraw/zinc/15/31/60/672153160.db2.gz MJCONBMCDPWOJC-MRXNPFEDSA-N 1 1 355.341 2.364 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000589501405 672529473 /nfs/dbraw/zinc/52/94/73/672529473.db2.gz MJVOUVUQHJHHHM-HUUCEWRRSA-N 1 1 352.412 2.088 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000589501405 672529474 /nfs/dbraw/zinc/52/94/74/672529474.db2.gz MJVOUVUQHJHHHM-HUUCEWRRSA-N 1 1 352.412 2.088 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+](C2CCC2)C1 ZINC000589930746 672548728 /nfs/dbraw/zinc/54/87/28/672548728.db2.gz CQHLKIAOUZSPAA-LLVKDONJSA-N 1 1 359.473 2.151 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+](C2CCC2)C1 ZINC000589930746 672548733 /nfs/dbraw/zinc/54/87/33/672548733.db2.gz CQHLKIAOUZSPAA-LLVKDONJSA-N 1 1 359.473 2.151 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000589930767 672548776 /nfs/dbraw/zinc/54/87/76/672548776.db2.gz IOWVEDNXOKZCHZ-CYBMUJFWSA-N 1 1 367.471 2.398 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000590400456 672578857 /nfs/dbraw/zinc/57/88/57/672578857.db2.gz USAMLCQTXZVJBI-LSDHHAIUSA-N 1 1 353.806 2.183 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC(C[NH+]2CCOCC2)C1 ZINC000590568064 672590270 /nfs/dbraw/zinc/59/02/70/672590270.db2.gz NVYWLORFHCUZCJ-UHFFFAOYSA-N 1 1 356.220 2.126 20 5 FEBDMO CC[C@H]1CCCC[N@@H+]1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740878 672707038 /nfs/dbraw/zinc/70/70/38/672707038.db2.gz BRLKKXPBRYROOK-DOTOQJQBSA-N 1 1 351.447 2.189 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740878 672707042 /nfs/dbraw/zinc/70/70/42/672707042.db2.gz BRLKKXPBRYROOK-DOTOQJQBSA-N 1 1 351.447 2.189 20 5 FEBDMO CC[C@@H]1CCCC[N@@H+]1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740881 672707210 /nfs/dbraw/zinc/70/72/10/672707210.db2.gz BRLKKXPBRYROOK-WBVHZDCISA-N 1 1 351.447 2.189 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740881 672707215 /nfs/dbraw/zinc/70/72/15/672707215.db2.gz BRLKKXPBRYROOK-WBVHZDCISA-N 1 1 351.447 2.189 20 5 FEBDMO C[C@@H]1CC2(C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592182714 672768216 /nfs/dbraw/zinc/76/82/16/672768216.db2.gz QGCRLLFZNWMLQW-GDBMZVCRSA-N 1 1 350.415 2.226 20 5 FEBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000195418250 672784081 /nfs/dbraw/zinc/78/40/81/672784081.db2.gz FYFBKKUQDGLPIC-UHFFFAOYSA-N 1 1 367.402 2.491 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c(F)c1 ZINC000592370506 672792984 /nfs/dbraw/zinc/79/29/84/672792984.db2.gz JBIKERJWJONWND-CYBMUJFWSA-N 1 1 366.370 2.058 20 5 FEBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593212123 672893605 /nfs/dbraw/zinc/89/36/05/672893605.db2.gz SHTBSQOSGJVQDR-UHFFFAOYSA-N 1 1 351.403 2.074 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000594476032 673082807 /nfs/dbraw/zinc/08/28/07/673082807.db2.gz XITBJQXENGAJFI-UHFFFAOYSA-N 1 1 371.459 2.098 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594482995 673086718 /nfs/dbraw/zinc/08/67/18/673086718.db2.gz HAKLZGBSLIKRTR-VXGBXAGGSA-N 1 1 359.473 2.260 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594482995 673086723 /nfs/dbraw/zinc/08/67/23/673086723.db2.gz HAKLZGBSLIKRTR-VXGBXAGGSA-N 1 1 359.473 2.260 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594483699 673087022 /nfs/dbraw/zinc/08/70/22/673087022.db2.gz NZTDJNVTORWAFA-GDBMZVCRSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484742 673088371 /nfs/dbraw/zinc/08/83/71/673088371.db2.gz TVWSLQUFODHXHE-GJZGRUSLSA-N 1 1 353.444 2.198 20 5 FEBDMO CC[N@@H+](CCCNS(=O)(=O)c1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000594797655 673146372 /nfs/dbraw/zinc/14/63/72/673146372.db2.gz XJOMWBWDXOTVED-UHFFFAOYSA-N 1 1 370.475 2.313 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594799817 673147138 /nfs/dbraw/zinc/14/71/38/673147138.db2.gz SBARVDQADIENBO-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO CNS(=O)(=O)c1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000595485549 673257298 /nfs/dbraw/zinc/25/72/98/673257298.db2.gz VLOQEUNUHNGVTL-UHFFFAOYSA-N 1 1 363.439 2.177 20 5 FEBDMO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000595716334 673285181 /nfs/dbraw/zinc/28/51/81/673285181.db2.gz AALQXTUOJODJIE-MLGOLLRUSA-N 1 1 354.428 2.446 20 5 FEBDMO CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@@H+](Cc1csc([N+](=O)[O-])c1)C2 ZINC000595716334 673285184 /nfs/dbraw/zinc/28/51/84/673285184.db2.gz AALQXTUOJODJIE-MLGOLLRUSA-N 1 1 354.428 2.446 20 5 FEBDMO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c([N+](=O)[O-])s1 ZINC000596229087 673370088 /nfs/dbraw/zinc/37/00/88/673370088.db2.gz AUHQYZSLFYGOKW-YHWZYXNKSA-N 1 1 352.460 2.460 20 5 FEBDMO CCC[C@H](C)C[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000537205902 673384032 /nfs/dbraw/zinc/38/40/32/673384032.db2.gz CMHJFPBRFADGFA-AWEZNQCLSA-N 1 1 355.460 2.337 20 5 FEBDMO NS(=O)(=O)c1cccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596479733 673388817 /nfs/dbraw/zinc/38/88/17/673388817.db2.gz PHRPCWRUVOFXFS-GFCCVEGCSA-N 1 1 368.459 2.061 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855288 673610498 /nfs/dbraw/zinc/61/04/98/673610498.db2.gz COWWBDOGJUDUAM-SKDRFNHKSA-N 1 1 355.341 2.409 20 5 FEBDMO CC(C)(C)c1ccc(NC(=O)NCC[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599787482 673717288 /nfs/dbraw/zinc/71/72/88/673717288.db2.gz UXJVNFNZGAPLFX-ZDUSSCGKSA-N 1 1 350.419 2.080 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000544677140 673725582 /nfs/dbraw/zinc/72/55/82/673725582.db2.gz YYMHNXZDPVYUEG-ZDUSSCGKSA-N 1 1 370.475 2.309 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599965982 673730981 /nfs/dbraw/zinc/73/09/81/673730981.db2.gz JDUAJIIETCQYDS-CABZTGNLSA-N 1 1 354.204 2.133 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000599966459 673731021 /nfs/dbraw/zinc/73/10/21/673731021.db2.gz JDUAJIIETCQYDS-SKDRFNHKSA-N 1 1 354.204 2.133 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000546779235 673817985 /nfs/dbraw/zinc/81/79/85/673817985.db2.gz ZPGIUANJCLKGRM-OKILXGFUSA-N 1 1 355.460 2.277 20 5 FEBDMO CN(C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1)S(C)(=O)=O ZINC000601108503 673826485 /nfs/dbraw/zinc/82/64/85/673826485.db2.gz LVZYZUOLPLNZDU-UHFFFAOYSA-N 1 1 364.427 2.003 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601363133 673848487 /nfs/dbraw/zinc/84/84/87/673848487.db2.gz LIXRMYNHBARWTD-UHFFFAOYSA-N 1 1 353.394 2.164 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601408060 673857280 /nfs/dbraw/zinc/85/72/80/673857280.db2.gz KKRMMXGOWVWXJP-GFCCVEGCSA-N 1 1 359.423 2.147 20 5 FEBDMO CC(C)NC(=O)[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602695491 673909577 /nfs/dbraw/zinc/90/95/77/673909577.db2.gz XAFHJVMRTICDSL-ZETCQYMHSA-N 1 1 350.238 2.422 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602846452 673911694 /nfs/dbraw/zinc/91/16/94/673911694.db2.gz OPTVDZMCGRLPIB-TZMCWYRMSA-N 1 1 352.435 2.399 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000602917633 673913901 /nfs/dbraw/zinc/91/39/01/673913901.db2.gz SQVKUOMSPNXNPL-TZMCWYRMSA-N 1 1 352.435 2.399 20 5 FEBDMO O=C(CC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000602987642 673914672 /nfs/dbraw/zinc/91/46/72/673914672.db2.gz MWHJUUHUGREBQR-GXFFZTMASA-N 1 1 361.320 2.026 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000567771251 675320674 /nfs/dbraw/zinc/32/06/74/675320674.db2.gz WQIQEKIKZFHWQD-WFASDCNBSA-N 1 1 355.460 2.118 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000825480877 675655304 /nfs/dbraw/zinc/65/53/04/675655304.db2.gz AGADFVSELGCZKP-RYUDHWBXSA-N 1 1 350.394 2.157 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825797523 675669425 /nfs/dbraw/zinc/66/94/25/675669425.db2.gz YVPLDWZNFJCHQO-LBPRGKRZSA-N 1 1 352.410 2.404 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H]1C ZINC000827660828 675771176 /nfs/dbraw/zinc/77/11/76/675771176.db2.gz BCRGUAQRJOEZOJ-OLZOCXBDSA-N 1 1 355.460 2.307 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(Cl)c1 ZINC000603424496 675799130 /nfs/dbraw/zinc/79/91/30/675799130.db2.gz YOBBMENGLVANAE-CQSZACIVSA-N 1 1 368.865 2.457 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000603640549 675800552 /nfs/dbraw/zinc/80/05/52/675800552.db2.gz YFXKMVVJWSVZLN-ZIAGYGMSSA-N 1 1 355.460 2.444 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000619500616 676382167 /nfs/dbraw/zinc/38/21/67/676382167.db2.gz QHPRWGZLHIMZIC-CQSZACIVSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000619500616 676382168 /nfs/dbraw/zinc/38/21/68/676382168.db2.gz QHPRWGZLHIMZIC-CQSZACIVSA-N 1 1 371.459 2.002 20 5 FEBDMO CC(C)C[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)C(=O)NCC[NH+](C)C ZINC000761526045 680725906 /nfs/dbraw/zinc/72/59/06/680725906.db2.gz GTZCRFXCIRTQDZ-HNNXBMFYSA-N 1 1 370.881 2.430 20 5 FEBDMO C[N@@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CCCC1 ZINC000839487197 680755976 /nfs/dbraw/zinc/75/59/76/680755976.db2.gz XQBBIMULCBVFTL-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000764401596 680808026 /nfs/dbraw/zinc/80/80/26/680808026.db2.gz HTJHBJJAWAVPGW-LBPRGKRZSA-N 1 1 353.444 2.109 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000764401596 680808027 /nfs/dbraw/zinc/80/80/27/680808027.db2.gz HTJHBJJAWAVPGW-LBPRGKRZSA-N 1 1 353.444 2.109 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000765518462 680845053 /nfs/dbraw/zinc/84/50/53/680845053.db2.gz WADHOPOZABDOIZ-LLVKDONJSA-N 1 1 371.821 2.415 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000748352151 679954566 /nfs/dbraw/zinc/95/45/66/679954566.db2.gz ZGOBOQDFTGNKBS-SNVBAGLBSA-N 1 1 361.320 2.312 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000748352151 679954570 /nfs/dbraw/zinc/95/45/70/679954570.db2.gz ZGOBOQDFTGNKBS-SNVBAGLBSA-N 1 1 361.320 2.312 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000832909686 680183991 /nfs/dbraw/zinc/18/39/91/680183991.db2.gz ZGUZBNXKBUGXKO-SNVBAGLBSA-N 1 1 354.382 2.151 20 5 FEBDMO Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)c(Cl)c1 ZINC000983655140 680318425 /nfs/dbraw/zinc/31/84/25/680318425.db2.gz QICZAANUGARFDH-XKVFNRALSA-N 1 1 351.834 2.298 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000996428827 680332354 /nfs/dbraw/zinc/33/23/54/680332354.db2.gz ILKSDJFOJAYQJF-HZPDHXFCSA-N 1 1 351.834 2.128 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000996428460 680332417 /nfs/dbraw/zinc/33/24/17/680332417.db2.gz FDLZNHBVIDZIKH-UKRRQHHQSA-N 1 1 355.797 2.225 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000757957678 680545771 /nfs/dbraw/zinc/54/57/71/680545771.db2.gz OGLSKTBHJGEGAJ-UHFFFAOYSA-N 1 1 365.367 2.067 20 5 FEBDMO C[N@H+](CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000767117933 680899840 /nfs/dbraw/zinc/89/98/40/680899840.db2.gz USAYZHBMVNEVQI-AWEZNQCLSA-N 1 1 354.428 2.344 20 5 FEBDMO C[N@@H+](CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCSC1 ZINC000767117933 680899841 /nfs/dbraw/zinc/89/98/41/680899841.db2.gz USAYZHBMVNEVQI-AWEZNQCLSA-N 1 1 354.428 2.344 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000767123231 680900151 /nfs/dbraw/zinc/90/01/51/680900151.db2.gz MYLSMGAYFOHINZ-AWEZNQCLSA-N 1 1 353.394 2.307 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000767123231 680900154 /nfs/dbraw/zinc/90/01/54/680900154.db2.gz MYLSMGAYFOHINZ-AWEZNQCLSA-N 1 1 353.394 2.307 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000769905412 680999938 /nfs/dbraw/zinc/99/99/38/680999938.db2.gz JHRBAVLEVMSMTG-JTQLQIEISA-N 1 1 361.851 2.177 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000845155811 681107608 /nfs/dbraw/zinc/10/76/08/681107608.db2.gz SMRMSCISVARMSI-VXGBXAGGSA-N 1 1 350.371 2.297 20 5 FEBDMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000846016374 681173571 /nfs/dbraw/zinc/17/35/71/681173571.db2.gz UPENIDUSNBMNEW-UHFFFAOYSA-N 1 1 370.837 2.281 20 5 FEBDMO O=C1CC2(CN1)CC[NH+](Cn1ncc3cc([N+](=O)[O-])cc(Cl)c31)CC2 ZINC000774637366 681213654 /nfs/dbraw/zinc/21/36/54/681213654.db2.gz NORPVFKUJUSZKF-UHFFFAOYSA-N 1 1 363.805 2.158 20 5 FEBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 ZINC000933090828 681361894 /nfs/dbraw/zinc/36/18/94/681361894.db2.gz LVZBTAOYXIFIEI-UHFFFAOYSA-N 1 1 367.471 2.375 20 5 FEBDMO CN(CC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000776598530 681413471 /nfs/dbraw/zinc/41/34/71/681413471.db2.gz PUQCWOCTUSENND-HNNXBMFYSA-N 1 1 353.419 2.427 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@H]2C[C@@H]2CCOC2)cc1 ZINC000933678173 681450178 /nfs/dbraw/zinc/45/01/78/681450178.db2.gz YOERLUVHUACELG-DOTOQJQBSA-N 1 1 350.415 2.491 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933738907 681460565 /nfs/dbraw/zinc/46/05/65/681460565.db2.gz PEYMUOJKFKJRGX-BWACUDIHSA-N 1 1 366.849 2.459 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)C(F)(F)Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000848591896 681585454 /nfs/dbraw/zinc/58/54/54/681585454.db2.gz ZQIBCARRFUNKHH-HNNXBMFYSA-N 1 1 355.341 2.121 20 5 FEBDMO C[N@@H+](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000913385228 685476118 /nfs/dbraw/zinc/47/61/18/685476118.db2.gz UDVCUILMQZLETL-JTQLQIEISA-N 1 1 361.826 2.441 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000780866077 681879465 /nfs/dbraw/zinc/87/94/65/681879465.db2.gz IFKLWSMQIWSYIN-LLVKDONJSA-N 1 1 361.851 2.319 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2CCCOCC2)cc1Cl ZINC000782415007 682040909 /nfs/dbraw/zinc/04/09/09/682040909.db2.gz LMCPOQMVKASPIZ-UHFFFAOYSA-N 1 1 357.794 2.169 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@H+]2CCCOCC2)cc1Cl ZINC000782415007 682040912 /nfs/dbraw/zinc/04/09/12/682040912.db2.gz LMCPOQMVKASPIZ-UHFFFAOYSA-N 1 1 357.794 2.169 20 5 FEBDMO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783609350 682159287 /nfs/dbraw/zinc/15/92/87/682159287.db2.gz WBVBFCFSCWTRAO-MRXNPFEDSA-N 1 1 368.865 2.281 20 5 FEBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783609350 682159293 /nfs/dbraw/zinc/15/92/93/682159293.db2.gz WBVBFCFSCWTRAO-MRXNPFEDSA-N 1 1 368.865 2.281 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000917654433 685533530 /nfs/dbraw/zinc/53/35/30/685533530.db2.gz HBSQUDUNXVAQJH-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO O=C(C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852345706 682264264 /nfs/dbraw/zinc/26/42/64/682264264.db2.gz VMMDXHHGGUESHQ-NTZNESFSSA-N 1 1 353.806 2.280 20 5 FEBDMO CC(C)[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+](C)C ZINC000787961541 682493926 /nfs/dbraw/zinc/49/39/26/682493926.db2.gz MADGHFSCRXPIBV-IINYFYTJSA-N 1 1 355.366 2.190 20 5 FEBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@@H]1CC[N@@H+](CC)C1 ZINC000855490926 682676131 /nfs/dbraw/zinc/67/61/31/682676131.db2.gz MFQVBVNQQSITIY-GFCCVEGCSA-N 1 1 352.410 2.356 20 5 FEBDMO CCC[N@H+]1CC[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000856073405 682739439 /nfs/dbraw/zinc/73/94/39/682739439.db2.gz PFIZHHQLHPDYOQ-CYBMUJFWSA-N 1 1 350.375 2.036 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000859348251 683089952 /nfs/dbraw/zinc/08/99/52/683089952.db2.gz NKROQURZWFEMIH-ZDUSSCGKSA-N 1 1 371.434 2.338 20 5 FEBDMO COc1c(C(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000796707240 683188038 /nfs/dbraw/zinc/18/80/38/683188038.db2.gz BZHMHYAIQORVNK-CYBMUJFWSA-N 1 1 352.387 2.117 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000797604186 683261177 /nfs/dbraw/zinc/26/11/77/683261177.db2.gz ASJZPKNQIXUGPJ-AWEZNQCLSA-N 1 1 356.220 2.315 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928094197 683384122 /nfs/dbraw/zinc/38/41/22/683384122.db2.gz AMAKRRMCNPEVAD-DOMZBBRYSA-N 1 1 360.439 2.386 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000862792966 683634860 /nfs/dbraw/zinc/63/48/60/683634860.db2.gz GUBSWEMUZZDHJE-SNVBAGLBSA-N 1 1 371.235 2.214 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000863498084 683734909 /nfs/dbraw/zinc/73/49/09/683734909.db2.gz CXDDVFLKPACMGJ-GFCCVEGCSA-N 1 1 357.357 2.415 20 5 FEBDMO COC[C@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930657477 683765045 /nfs/dbraw/zinc/76/50/45/683765045.db2.gz HAVHKSALPNCCGN-CQSZACIVSA-N 1 1 359.220 2.188 20 5 FEBDMO COC[C@]1(CO)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930657477 683765048 /nfs/dbraw/zinc/76/50/48/683765048.db2.gz HAVHKSALPNCCGN-CQSZACIVSA-N 1 1 359.220 2.188 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000866863672 684170341 /nfs/dbraw/zinc/17/03/41/684170341.db2.gz RWQRKONUMXBTIT-TZMCWYRMSA-N 1 1 373.450 2.393 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866893890 684175947 /nfs/dbraw/zinc/17/59/47/684175947.db2.gz UQJWCILCEUFVIT-CYBMUJFWSA-N 1 1 373.450 2.395 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000866985656 684191437 /nfs/dbraw/zinc/19/14/37/684191437.db2.gz KBRRPOSEHZSREH-GXTWGEPZSA-N 1 1 371.434 2.147 20 5 FEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000931607893 684312329 /nfs/dbraw/zinc/31/23/29/684312329.db2.gz OPLGLZSNQRJBFX-OCCSQVGLSA-N 1 1 354.407 2.435 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000867812315 684396853 /nfs/dbraw/zinc/39/68/53/684396853.db2.gz JORMSFLECSCYMW-DGCLKSJQSA-N 1 1 373.862 2.271 20 5 FEBDMO C[C@@]([NH3+])(C(=O)N1CCN(c2cccs2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000867941531 684430089 /nfs/dbraw/zinc/43/00/89/684430089.db2.gz HJPBUQMLXCCYDW-KRWDZBQOSA-N 1 1 360.439 2.179 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1C ZINC000872663871 685000298 /nfs/dbraw/zinc/00/02/98/685000298.db2.gz PEEPPFJUGXICMN-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1C ZINC000872663871 685000300 /nfs/dbraw/zinc/00/03/00/685000300.db2.gz PEEPPFJUGXICMN-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877740125 686447951 /nfs/dbraw/zinc/44/79/51/686447951.db2.gz VBNKRGVPXDOVQF-KBPBESRZSA-N 1 1 366.439 2.332 20 5 FEBDMO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877798649 686466032 /nfs/dbraw/zinc/46/60/32/686466032.db2.gz APDIMEVWMXRLKA-QLFBSQMISA-N 1 1 367.471 2.288 20 5 FEBDMO O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877798649 686466034 /nfs/dbraw/zinc/46/60/34/686466034.db2.gz APDIMEVWMXRLKA-QLFBSQMISA-N 1 1 367.471 2.288 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879558195 686854824 /nfs/dbraw/zinc/85/48/24/686854824.db2.gz HUANODKARSKUCA-VXGBXAGGSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879558195 686854828 /nfs/dbraw/zinc/85/48/28/686854828.db2.gz HUANODKARSKUCA-VXGBXAGGSA-N 1 1 351.428 2.227 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133974 687003973 /nfs/dbraw/zinc/00/39/73/687003973.db2.gz KJQFZGRDYTWYHA-KBPBESRZSA-N 1 1 352.822 2.355 20 5 FEBDMO CN1CCC[C@H]2[C@H]1CC[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136980 687004643 /nfs/dbraw/zinc/00/46/43/687004643.db2.gz VUAXSQODBMTBBT-CVEARBPZSA-N 1 1 350.394 2.231 20 5 FEBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136980 687004647 /nfs/dbraw/zinc/00/46/47/687004647.db2.gz VUAXSQODBMTBBT-CVEARBPZSA-N 1 1 350.394 2.231 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136980 687004651 /nfs/dbraw/zinc/00/46/51/687004651.db2.gz VUAXSQODBMTBBT-CVEARBPZSA-N 1 1 350.394 2.231 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000884951545 687972419 /nfs/dbraw/zinc/97/24/19/687972419.db2.gz FUBPLRLGNDKAEF-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884953476 687973042 /nfs/dbraw/zinc/97/30/42/687973042.db2.gz ZJNODITXSJTOOC-NWDGAFQWSA-N 1 1 373.862 2.462 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000886628639 688284686 /nfs/dbraw/zinc/28/46/86/688284686.db2.gz XWFRUAHALLVDSJ-GDBMZVCRSA-N 1 1 353.806 2.424 20 5 FEBDMO O=C(C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000886628639 688284691 /nfs/dbraw/zinc/28/46/91/688284691.db2.gz XWFRUAHALLVDSJ-GDBMZVCRSA-N 1 1 353.806 2.424 20 5 FEBDMO C[C@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895248744 689683818 /nfs/dbraw/zinc/68/38/18/689683818.db2.gz MYPVXAYVPOJWBY-XHDPSFHLSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895248744 689683825 /nfs/dbraw/zinc/68/38/25/689683825.db2.gz MYPVXAYVPOJWBY-XHDPSFHLSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895248744 689683828 /nfs/dbraw/zinc/68/38/28/689683828.db2.gz MYPVXAYVPOJWBY-XHDPSFHLSA-N 1 1 363.849 2.265 20 5 FEBDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000895708094 689757619 /nfs/dbraw/zinc/75/76/19/689757619.db2.gz PBDAJMCAUDIFSM-QGZVFWFLSA-N 1 1 362.407 2.433 20 5 FEBDMO CSCC1CC[NH+]([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000899244781 690324806 /nfs/dbraw/zinc/32/48/06/690324806.db2.gz HKYMNSLSRCFQPI-HNNXBMFYSA-N 1 1 363.439 2.302 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000900598941 690537154 /nfs/dbraw/zinc/53/71/54/690537154.db2.gz ARFIBDCYZKVGMY-TZMCWYRMSA-N 1 1 371.796 2.059 20 5 FEBDMO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000900784962 690561450 /nfs/dbraw/zinc/56/14/50/690561450.db2.gz YUEPDHHEYYHYEF-SNVBAGLBSA-N 1 1 359.785 2.085 20 5 FEBDMO C[N@H+]1CCC[C@](O)(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000900837398 690571804 /nfs/dbraw/zinc/57/18/04/690571804.db2.gz GICOIBBJOLIYRX-IRXDYDNUSA-N 1 1 365.455 2.016 20 5 FEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC001164811018 720072636 /nfs/dbraw/zinc/07/26/36/720072636.db2.gz NAMFEHMGNKLUSM-LPHOPBHVSA-N 1 1 360.458 2.483 20 5 FEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001164814832 720099709 /nfs/dbraw/zinc/09/97/09/720099709.db2.gz WZSFYKJDROZJGN-RDTXWAMCSA-N 1 1 364.421 2.314 20 5 FEBDMO CCOc1nc(N2CC[NH+](CCc3ccccn3)CC2)ccc1[N+](=O)[O-] ZINC001165056326 722015422 /nfs/dbraw/zinc/01/54/22/722015422.db2.gz SSJNXLDEQMOVPX-UHFFFAOYSA-N 1 1 357.414 2.148 20 5 FEBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[nH+]c1 ZINC000531491547 830766616 /nfs/dbraw/zinc/76/66/16/830766616.db2.gz PIQGCILIJIROIB-UHFFFAOYSA-N 1 1 372.381 2.301 20 5 FEBDMO Cc1cccc(C[NH+]2CCN(C(=O)COc3cccnc3[N+](=O)[O-])CC2)c1 ZINC000021101603 539680347 /nfs/dbraw/zinc/68/03/47/539680347.db2.gz CCZSARMEDBSPBU-UHFFFAOYSA-N 1 1 370.409 2.021 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000026852814 539794866 /nfs/dbraw/zinc/79/48/66/539794866.db2.gz FCNZXZPLIWREBM-INIZCTEOSA-N 1 1 355.394 2.364 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000041823304 540035513 /nfs/dbraw/zinc/03/55/13/540035513.db2.gz UYGINODUFVXLRX-AWEZNQCLSA-N 1 1 360.414 2.163 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000042638135 540071852 /nfs/dbraw/zinc/07/18/52/540071852.db2.gz XWKYSLHKDKJZGR-CYBMUJFWSA-N 1 1 362.430 2.030 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045713451 540223269 /nfs/dbraw/zinc/22/32/69/540223269.db2.gz FRARHJPOZFCPDR-UHFFFAOYSA-N 1 1 353.444 2.152 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)cc2)C[C@H](C)O1 ZINC000047587817 540319159 /nfs/dbraw/zinc/31/91/59/540319159.db2.gz LQUOMNMYVKWYTG-OKILXGFUSA-N 1 1 372.425 2.462 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000047676783 540323776 /nfs/dbraw/zinc/32/37/76/540323776.db2.gz YMNLMJILKDUMOQ-UHFFFAOYSA-N 1 1 360.370 2.097 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000051043115 540420167 /nfs/dbraw/zinc/42/01/67/540420167.db2.gz DPUOEPBZTUDNQW-UONOGXRCSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000051043115 540420169 /nfs/dbraw/zinc/42/01/69/540420169.db2.gz DPUOEPBZTUDNQW-UONOGXRCSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000051043267 540420178 /nfs/dbraw/zinc/42/01/78/540420178.db2.gz YKSBQICWSVTXNL-CQSZACIVSA-N 1 1 362.430 2.162 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000053691095 540550335 /nfs/dbraw/zinc/55/03/35/540550335.db2.gz IMIJDJWLVDCNIX-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000053691095 540550337 /nfs/dbraw/zinc/55/03/37/540550337.db2.gz IMIJDJWLVDCNIX-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO COC(=O)c1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000054281580 540580368 /nfs/dbraw/zinc/58/03/68/540580368.db2.gz WTLOHYRAAPJKDM-UHFFFAOYSA-N 1 1 371.393 2.243 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000550624712 674102800 /nfs/dbraw/zinc/10/28/00/674102800.db2.gz YQTOGGJIUGIVLP-LLVKDONJSA-N 1 1 366.443 2.331 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000550624268 674102803 /nfs/dbraw/zinc/10/28/03/674102803.db2.gz MJNRYXKLVFIFMO-NSHDSACASA-N 1 1 352.416 2.023 20 5 FEBDMO O=C(c1ccccn1)N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000063522789 541172606 /nfs/dbraw/zinc/17/26/06/541172606.db2.gz OBJAKAHENWKBSP-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO O=C(c1ccccn1)N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000063522789 541172609 /nfs/dbraw/zinc/17/26/09/541172609.db2.gz OBJAKAHENWKBSP-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO COc1cc(OCC(=O)N2CCC[N@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000063727990 541182175 /nfs/dbraw/zinc/18/21/75/541182175.db2.gz XUQVMXYUIKHFQI-UHFFFAOYSA-N 1 1 365.430 2.315 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cnc3cc4ccccc4cc3c2=O)C[C@H](C)O1 ZINC000066482658 541324547 /nfs/dbraw/zinc/32/45/47/541324547.db2.gz BAPQCSUNRZNMRW-DAYGRLMNSA-N 1 1 367.449 2.020 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H](O)Cn2cnc3cc4ccccc4cc3c2=O)C[C@H](C)O1 ZINC000066482658 541324549 /nfs/dbraw/zinc/32/45/49/541324549.db2.gz BAPQCSUNRZNMRW-DAYGRLMNSA-N 1 1 367.449 2.020 20 5 FEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[N@H+]1CCC[C@@H](C)C1 ZINC000066614311 541346327 /nfs/dbraw/zinc/34/63/27/541346327.db2.gz NZTYZPMOXMLUQV-OLZOCXBDSA-N 1 1 363.414 2.216 20 5 FEBDMO COCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000066865686 541382797 /nfs/dbraw/zinc/38/27/97/541382797.db2.gz CPYDVVSXUJBDMY-UHFFFAOYSA-N 1 1 360.208 2.264 20 5 FEBDMO COCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000066865686 541382800 /nfs/dbraw/zinc/38/28/00/541382800.db2.gz CPYDVVSXUJBDMY-UHFFFAOYSA-N 1 1 360.208 2.264 20 5 FEBDMO CC(C)[NH+]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000067383012 541452860 /nfs/dbraw/zinc/45/28/60/541452860.db2.gz ZJAVWDLXBVDICS-UHFFFAOYSA-N 1 1 357.414 2.090 20 5 FEBDMO COc1ccc(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000067785888 541513342 /nfs/dbraw/zinc/51/33/42/541513342.db2.gz MNGFPMMKWGBJTC-UHFFFAOYSA-N 1 1 369.421 2.490 20 5 FEBDMO COCCOC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000072796357 541866025 /nfs/dbraw/zinc/86/60/25/541866025.db2.gz JRMHHBLBHAOSKQ-HNNXBMFYSA-N 1 1 365.430 2.217 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000074095037 542036677 /nfs/dbraw/zinc/03/66/77/542036677.db2.gz WRJZCZAURPXFFN-LLVKDONJSA-N 1 1 363.443 2.191 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076802251 542322899 /nfs/dbraw/zinc/32/28/99/542322899.db2.gz ZNZBFOBFUXONIF-OAHLLOKOSA-N 1 1 368.437 2.400 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000247419485 549331614 /nfs/dbraw/zinc/33/16/14/549331614.db2.gz KDDJIMQZJFBVFS-UONOGXRCSA-N 1 1 353.444 2.008 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000081364231 542651412 /nfs/dbraw/zinc/65/14/12/542651412.db2.gz CTCAZSNHICQHEK-ZDUSSCGKSA-N 1 1 363.414 2.170 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)n1C ZINC000083734067 542701849 /nfs/dbraw/zinc/70/18/49/542701849.db2.gz CTTWZOFJCVAIQA-UHFFFAOYSA-N 1 1 374.445 2.216 20 5 FEBDMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000089681938 542769205 /nfs/dbraw/zinc/76/92/05/542769205.db2.gz CIBAGQLKNJUDSS-MSOLQXFVSA-N 1 1 370.409 2.352 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089963369 542779398 /nfs/dbraw/zinc/77/93/98/542779398.db2.gz WDJPRCKQLRMRLC-QZTJIDSGSA-N 1 1 369.421 2.268 20 5 FEBDMO CCC(=O)N1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000092186834 542847651 /nfs/dbraw/zinc/84/76/51/542847651.db2.gz GZIZUHPKZIVUHO-UHFFFAOYSA-N 1 1 371.441 2.440 20 5 FEBDMO CCC(=O)N[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092705147 542882985 /nfs/dbraw/zinc/88/29/85/542882985.db2.gz WHYSMQDCQMMTTJ-INIZCTEOSA-N 1 1 371.441 2.486 20 5 FEBDMO CCc1nn(C)c(NCc2cccc(C[NH+]3CCOCC3)c2)c1[N+](=O)[O-] ZINC000092828925 542889815 /nfs/dbraw/zinc/88/98/15/542889815.db2.gz XJWJNLJZLZWJFL-UHFFFAOYSA-N 1 1 359.430 2.335 20 5 FEBDMO COc1ccc(-c2ccc(C[N@@H+](CCO)CCCO)o2)c([N+](=O)[O-])c1 ZINC000093324001 542927157 /nfs/dbraw/zinc/92/71/57/542927157.db2.gz RPZFXWXKUNPZEX-UHFFFAOYSA-N 1 1 350.371 2.040 20 5 FEBDMO Cc1cc(C)n2c(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc2n1 ZINC000093534437 542934163 /nfs/dbraw/zinc/93/41/63/542934163.db2.gz FUVDZHHDTJIYOE-AWEZNQCLSA-N 1 1 367.413 2.336 20 5 FEBDMO Cc1cc(C)n2c(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc2n1 ZINC000093534437 542934166 /nfs/dbraw/zinc/93/41/66/542934166.db2.gz FUVDZHHDTJIYOE-AWEZNQCLSA-N 1 1 367.413 2.336 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c(F)c1 ZINC000106891625 543252877 /nfs/dbraw/zinc/25/28/77/543252877.db2.gz OVNGKHHEWZZPKE-NSHDSACASA-N 1 1 357.407 2.029 20 5 FEBDMO C[NH+]1CCN(C(=O)CC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000109789995 543339425 /nfs/dbraw/zinc/33/94/25/543339425.db2.gz AFKLSHUCCBXVSL-UHFFFAOYSA-N 1 1 366.487 2.032 20 5 FEBDMO O=C(C[N@H+](CCO)CCc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000112698906 543457471 /nfs/dbraw/zinc/45/74/71/543457471.db2.gz NOHNFSHDMYLKMI-UHFFFAOYSA-N 1 1 369.421 2.021 20 5 FEBDMO O=C(C[N@@H+](CCO)CCc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000112698906 543457473 /nfs/dbraw/zinc/45/74/73/543457473.db2.gz NOHNFSHDMYLKMI-UHFFFAOYSA-N 1 1 369.421 2.021 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000112851479 543465164 /nfs/dbraw/zinc/46/51/64/543465164.db2.gz JTYVNBDYDPIJRF-ZBFHGGJFSA-N 1 1 374.441 2.175 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000112851486 543465290 /nfs/dbraw/zinc/46/52/90/543465290.db2.gz KAAFBOIETJKBFS-GDBMZVCRSA-N 1 1 374.441 2.175 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112922738 543469096 /nfs/dbraw/zinc/46/90/96/543469096.db2.gz MEEGAQNDVFYXPY-CYBMUJFWSA-N 1 1 368.865 2.252 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247473998 549339758 /nfs/dbraw/zinc/33/97/58/549339758.db2.gz VNLSDYHXVGSHIY-SJORKVTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247473998 549339759 /nfs/dbraw/zinc/33/97/59/549339759.db2.gz VNLSDYHXVGSHIY-SJORKVTESA-N 1 1 363.414 2.112 20 5 FEBDMO COCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122615062 543713977 /nfs/dbraw/zinc/71/39/77/543713977.db2.gz PKZUVOSQEBHTFZ-AWEZNQCLSA-N 1 1 365.430 2.439 20 5 FEBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000123820889 543784516 /nfs/dbraw/zinc/78/45/16/543784516.db2.gz QECVYWBWVQWDOS-UHFFFAOYSA-N 1 1 369.385 2.326 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000124407501 543819344 /nfs/dbraw/zinc/81/93/44/543819344.db2.gz OWVNHCURBOAARH-UONOGXRCSA-N 1 1 357.414 2.335 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@H+]1C ZINC000124667124 543836367 /nfs/dbraw/zinc/83/63/67/543836367.db2.gz CHYVQKBAHWVQJZ-SUMWQHHRSA-N 1 1 357.414 2.335 20 5 FEBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000127944257 544023421 /nfs/dbraw/zinc/02/34/21/544023421.db2.gz QLIIPTZQVGALQB-GFCCVEGCSA-N 1 1 374.363 2.492 20 5 FEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1CC(F)(F)F ZINC000127944257 544023424 /nfs/dbraw/zinc/02/34/24/544023424.db2.gz QLIIPTZQVGALQB-GFCCVEGCSA-N 1 1 374.363 2.492 20 5 FEBDMO COC(=O)c1cc(C(=O)NCCCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000130296075 544145709 /nfs/dbraw/zinc/14/57/09/544145709.db2.gz CFNPVYJFLIBACT-UHFFFAOYSA-N 1 1 360.370 2.097 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000131796336 544207321 /nfs/dbraw/zinc/20/73/21/544207321.db2.gz WEYJTVOTZWSRGR-RHSMWYFYSA-N 1 1 371.441 2.127 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000134677820 544317707 /nfs/dbraw/zinc/31/77/07/544317707.db2.gz KFBRGDDLVKKVLG-OAHLLOKOSA-N 1 1 372.469 2.433 20 5 FEBDMO CCOC(=O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000140068369 544406546 /nfs/dbraw/zinc/40/65/46/544406546.db2.gz SCVBBVHNSJDAJZ-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO CCOC(=O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000140068369 544406547 /nfs/dbraw/zinc/40/65/47/544406547.db2.gz SCVBBVHNSJDAJZ-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000137046985 544383558 /nfs/dbraw/zinc/38/35/58/544383558.db2.gz DADQLNJLFAOSQN-ZDUSSCGKSA-N 1 1 367.833 2.433 20 5 FEBDMO COc1cc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000150802353 544473396 /nfs/dbraw/zinc/47/33/96/544473396.db2.gz UVLMUQHJJDFARF-UHFFFAOYSA-N 1 1 371.459 2.146 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150814537 544475453 /nfs/dbraw/zinc/47/54/53/544475453.db2.gz YJRXBLDUPYSJJE-ZDUSSCGKSA-N 1 1 371.459 2.146 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000151979307 544602297 /nfs/dbraw/zinc/60/22/97/544602297.db2.gz JYOGTDBGNYTJFE-OKILXGFUSA-N 1 1 364.446 2.256 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc(Cl)c1[N+](=O)[O-] ZINC000152172071 544621123 /nfs/dbraw/zinc/62/11/23/544621123.db2.gz HSICFEUOECTMNN-LBPRGKRZSA-N 1 1 355.822 2.215 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C2CC2)c1 ZINC000153272421 544755082 /nfs/dbraw/zinc/75/50/82/544755082.db2.gz PDWUADNYYCOCRT-ROUUACIJSA-N 1 1 350.415 2.116 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000153294836 544757093 /nfs/dbraw/zinc/75/70/93/544757093.db2.gz DAPQQWSLORXHGD-QWHCGFSZSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000153689399 544809131 /nfs/dbraw/zinc/80/91/31/544809131.db2.gz VWRNAGRWHOCJAR-UHFFFAOYSA-N 1 1 363.462 2.393 20 5 FEBDMO Cc1cc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000153689399 544809136 /nfs/dbraw/zinc/80/91/36/544809136.db2.gz VWRNAGRWHOCJAR-UHFFFAOYSA-N 1 1 363.462 2.393 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1F ZINC000154319549 544890252 /nfs/dbraw/zinc/89/02/52/544890252.db2.gz RUSJSGHWRONSGN-OCCSQVGLSA-N 1 1 371.434 2.147 20 5 FEBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000154534275 544918902 /nfs/dbraw/zinc/91/89/02/544918902.db2.gz OVSSXBLCFOSDPE-MSOLQXFVSA-N 1 1 355.394 2.366 20 5 FEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000154534275 544918905 /nfs/dbraw/zinc/91/89/05/544918905.db2.gz OVSSXBLCFOSDPE-MSOLQXFVSA-N 1 1 355.394 2.366 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(OCCCO)CC3)o2)cc1 ZINC000155040668 544981019 /nfs/dbraw/zinc/98/10/19/544981019.db2.gz XYDZFQQSZAKIRX-UHFFFAOYSA-N 1 1 362.386 2.008 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000155073989 544985158 /nfs/dbraw/zinc/98/51/58/544985158.db2.gz KEOCBNKJHLFAFG-INIZCTEOSA-N 1 1 367.471 2.279 20 5 FEBDMO CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000803497365 674246212 /nfs/dbraw/zinc/24/62/12/674246212.db2.gz KHUFYFOEDJWPIW-CQSZACIVSA-N 1 1 357.794 2.316 20 5 FEBDMO COC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184631470 327876420 /nfs/dbraw/zinc/87/64/20/327876420.db2.gz AIMUKKBFCXNVND-HOCLYGCPSA-N 1 1 350.371 2.213 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C)(CO)CC1 ZINC000186897738 327989220 /nfs/dbraw/zinc/98/92/20/327989220.db2.gz FBONHBLNXBNSGW-GFCCVEGCSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000188676275 328103690 /nfs/dbraw/zinc/10/36/90/328103690.db2.gz KWCUBYOHAPWYSH-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000188676275 328103691 /nfs/dbraw/zinc/10/36/91/328103691.db2.gz KWCUBYOHAPWYSH-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000189413762 328146400 /nfs/dbraw/zinc/14/64/00/328146400.db2.gz ZHMXLMBSQPCUDE-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000189413762 328146401 /nfs/dbraw/zinc/14/64/01/328146401.db2.gz ZHMXLMBSQPCUDE-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO COc1cc(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000189957870 328178704 /nfs/dbraw/zinc/17/87/04/328178704.db2.gz KWWFZDHTBTYJFE-LBPRGKRZSA-N 1 1 355.410 2.020 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000191331974 328260672 /nfs/dbraw/zinc/26/06/72/328260672.db2.gz PHVHWWPKSBKCNL-CQSZACIVSA-N 1 1 350.419 2.396 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000191331974 328260673 /nfs/dbraw/zinc/26/06/73/328260673.db2.gz PHVHWWPKSBKCNL-CQSZACIVSA-N 1 1 350.419 2.396 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191971708 328291117 /nfs/dbraw/zinc/29/11/17/328291117.db2.gz ONTCIAYCTFWWRS-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000192054409 328297360 /nfs/dbraw/zinc/29/73/60/328297360.db2.gz ZWYSJLWFCFYQME-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193641445 328386978 /nfs/dbraw/zinc/38/69/78/328386978.db2.gz HCBUEFNXHNIWCS-UTUOFQBUSA-N 1 1 352.822 2.069 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000077656839 325002492 /nfs/dbraw/zinc/00/24/92/325002492.db2.gz LYOPAFFGDYYEAE-NSHDSACASA-N 1 1 361.851 2.401 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000077656836 325002780 /nfs/dbraw/zinc/00/27/80/325002780.db2.gz LYOPAFFGDYYEAE-LLVKDONJSA-N 1 1 361.851 2.401 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080504564 325134171 /nfs/dbraw/zinc/13/41/71/325134171.db2.gz BTNICGHZFWZNFF-QGZVFWFLSA-N 1 1 371.441 2.223 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000080619134 325137645 /nfs/dbraw/zinc/13/76/45/325137645.db2.gz MVSOSZMQEYQJIR-HIFRSBDPSA-N 1 1 353.444 2.014 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000090551814 325362930 /nfs/dbraw/zinc/36/29/30/325362930.db2.gz FNSSRFBNHSMLJZ-GOSISDBHSA-N 1 1 357.410 2.128 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000090552777 325363217 /nfs/dbraw/zinc/36/32/17/325363217.db2.gz YELPLABMDQPSSW-UHFFFAOYSA-N 1 1 358.354 2.329 20 5 FEBDMO NC(=O)c1ccc(NCc2cccc(C[NH+]3CCOCC3)c2)c([N+](=O)[O-])c1 ZINC000108088600 325637725 /nfs/dbraw/zinc/63/77/25/325637725.db2.gz XFNGZCCUOLHSCK-UHFFFAOYSA-N 1 1 370.409 2.138 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000109793948 325677716 /nfs/dbraw/zinc/67/77/16/325677716.db2.gz GJHQZDXPTAJNNW-ZDUSSCGKSA-N 1 1 373.413 2.464 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)CNc3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000116836539 326038201 /nfs/dbraw/zinc/03/82/01/326038201.db2.gz DDFVBKUVDNNXID-UHFFFAOYSA-N 1 1 369.425 2.495 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000118842769 326107492 /nfs/dbraw/zinc/10/74/92/326107492.db2.gz CEBJQYSQTMKQMT-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000118842769 326107493 /nfs/dbraw/zinc/10/74/93/326107493.db2.gz CEBJQYSQTMKQMT-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000118843816 326107740 /nfs/dbraw/zinc/10/77/40/326107740.db2.gz FFRIUHVCHAXCSX-LBPRGKRZSA-N 1 1 354.838 2.460 20 5 FEBDMO CC[N@H+](CCO)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000119932017 326213783 /nfs/dbraw/zinc/21/37/83/326213783.db2.gz NETRPAKCRQGQDE-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO CC[N@@H+](CCO)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000119932017 326213786 /nfs/dbraw/zinc/21/37/86/326213786.db2.gz NETRPAKCRQGQDE-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000120324676 326249729 /nfs/dbraw/zinc/24/97/29/326249729.db2.gz KAMWWAKGFYFWMM-INIZCTEOSA-N 1 1 369.487 2.382 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000120670152 326277378 /nfs/dbraw/zinc/27/73/78/326277378.db2.gz WVKVRQKQNUNRNU-QWRGUYRKSA-N 1 1 368.821 2.128 20 5 FEBDMO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCN(C)CC1 ZINC000120812391 326290141 /nfs/dbraw/zinc/29/01/41/326290141.db2.gz ULSGRODLUNVEJF-VQIMIIECSA-N 1 1 360.502 2.389 20 5 FEBDMO CCOc1cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000127183959 326501718 /nfs/dbraw/zinc/50/17/18/326501718.db2.gz XLMIFDQYNMOURO-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000134027088 326618585 /nfs/dbraw/zinc/61/85/85/326618585.db2.gz CQKZTKQDWJKEAQ-CHWSQXEVSA-N 1 1 365.430 2.221 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000154391110 326758748 /nfs/dbraw/zinc/75/87/48/326758748.db2.gz WKRBFFZYTBUODL-IBGZPJMESA-N 1 1 363.458 2.205 20 5 FEBDMO COc1ccc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000158829800 326909222 /nfs/dbraw/zinc/90/92/22/326909222.db2.gz UQKLWDZOVLAAKJ-UHFFFAOYSA-N 1 1 356.382 2.269 20 5 FEBDMO COc1cc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000159264267 326924953 /nfs/dbraw/zinc/92/49/53/326924953.db2.gz QHFFZLZYEXEYER-UHFFFAOYSA-N 1 1 356.382 2.269 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000162509881 327027726 /nfs/dbraw/zinc/02/77/26/327027726.db2.gz JTECCYWWDMVLFT-UHFFFAOYSA-N 1 1 358.398 2.432 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000163567327 327054271 /nfs/dbraw/zinc/05/42/71/327054271.db2.gz RUMGRZMJYQSVLX-INIZCTEOSA-N 1 1 365.478 2.282 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173277697 327246176 /nfs/dbraw/zinc/24/61/76/327246176.db2.gz PZYIRHAYDQFOOP-PWSUYJOCSA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000173311892 327249145 /nfs/dbraw/zinc/24/91/45/327249145.db2.gz KLKHHXFYWPIEAZ-UHFFFAOYSA-N 1 1 352.416 2.167 20 5 FEBDMO COc1ccc(OCC[NH+]2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000173511118 327262437 /nfs/dbraw/zinc/26/24/37/327262437.db2.gz GFBAXMJWBYOFPJ-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000175130611 327375896 /nfs/dbraw/zinc/37/58/96/327375896.db2.gz JHLKFLMAMMEMHR-ZFWWWQNUSA-N 1 1 355.460 2.172 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175149290 327376859 /nfs/dbraw/zinc/37/68/59/327376859.db2.gz SYNGDZYEKMEROM-HUUCEWRRSA-N 1 1 367.471 2.459 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000250199009 328784797 /nfs/dbraw/zinc/78/47/97/328784797.db2.gz BFQMDUSDEFQASE-UMVBOHGHSA-N 1 1 365.405 2.448 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262056808 328838715 /nfs/dbraw/zinc/83/87/15/328838715.db2.gz VLLPUIAAVMSEPY-MRXNPFEDSA-N 1 1 358.423 2.255 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCN(C)CC1 ZINC000264944250 329077041 /nfs/dbraw/zinc/07/70/41/329077041.db2.gz WPURFSAOFNKQTH-INIZCTEOSA-N 1 1 374.441 2.343 20 5 FEBDMO COc1ccc(NC(=O)CCN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000264945445 329077191 /nfs/dbraw/zinc/07/71/91/329077191.db2.gz JKMMGYHLINOZTM-KGLIPLIRSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920579 329172802 /nfs/dbraw/zinc/17/28/02/329172802.db2.gz CAQIJLIYKIAPRA-DGCLKSJQSA-N 1 1 351.403 2.167 20 5 FEBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267396287 329322590 /nfs/dbraw/zinc/32/25/90/329322590.db2.gz RLZNNBBWZPXWPF-ZDUSSCGKSA-N 1 1 359.382 2.135 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000267853156 329363220 /nfs/dbraw/zinc/36/32/20/329363220.db2.gz NOYBBQMGYWAUOR-CABCVRRESA-N 1 1 362.430 2.372 20 5 FEBDMO CNC(=O)c1ccc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000267912095 329367723 /nfs/dbraw/zinc/36/77/23/329367723.db2.gz GHMMLNFOJFFKMC-OKILXGFUSA-N 1 1 364.446 2.256 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000269676455 329539479 /nfs/dbraw/zinc/53/94/79/329539479.db2.gz YSTFHZXPNQKPMI-UHFFFAOYSA-N 1 1 356.373 2.276 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CC(C)(C)O ZINC000275471318 330052541 /nfs/dbraw/zinc/05/25/41/330052541.db2.gz IKXXKBXTXSWCQN-LLVKDONJSA-N 1 1 354.382 2.043 20 5 FEBDMO CCc1ccc([C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])nc3C)CC[NH2+]2)cc1 ZINC000367072972 330213758 /nfs/dbraw/zinc/21/37/58/330213758.db2.gz QHBOYOKPSIOKGK-KRWDZBQOSA-N 1 1 371.441 2.225 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000369332047 330240725 /nfs/dbraw/zinc/24/07/25/330240725.db2.gz SCOQBFAJACMODY-KSSFIOAISA-N 1 1 367.413 2.162 20 5 FEBDMO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375786741 330251580 /nfs/dbraw/zinc/25/15/80/330251580.db2.gz FKYDSGAAOKOQLG-NVXWUHKLSA-N 1 1 363.414 2.464 20 5 FEBDMO O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCc2[nH+]ccn21 ZINC000377927463 330251984 /nfs/dbraw/zinc/25/19/84/330251984.db2.gz VVVUWSDOFXHLHA-GFCCVEGCSA-N 1 1 353.342 2.093 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155480058 545531244 /nfs/dbraw/zinc/53/12/44/545531244.db2.gz QWZRTPXDVKDNKI-DYVFJYSZSA-N 1 1 363.414 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155480058 545531248 /nfs/dbraw/zinc/53/12/48/545531248.db2.gz QWZRTPXDVKDNKI-DYVFJYSZSA-N 1 1 363.414 2.433 20 5 FEBDMO CC(=O)N1CC[C@H](C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156356459 545620759 /nfs/dbraw/zinc/62/07/59/545620759.db2.gz PLWPXUDVFQXNEG-OAHLLOKOSA-N 1 1 362.430 2.032 20 5 FEBDMO Cc1cnc(CC[N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000157527875 545751300 /nfs/dbraw/zinc/75/13/00/545751300.db2.gz PVMDQNRPBURKJZ-CQSZACIVSA-N 1 1 351.428 2.274 20 5 FEBDMO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000478037951 561158727 /nfs/dbraw/zinc/15/87/27/561158727.db2.gz TYKOTBLZTQTSPZ-KRWDZBQOSA-N 1 1 358.377 2.385 20 5 FEBDMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000478037951 561158728 /nfs/dbraw/zinc/15/87/28/561158728.db2.gz TYKOTBLZTQTSPZ-KRWDZBQOSA-N 1 1 358.377 2.385 20 5 FEBDMO CC(C)C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000160265374 546024616 /nfs/dbraw/zinc/02/46/16/546024616.db2.gz YVUSFQWWQNWXLJ-GFCCVEGCSA-N 1 1 359.423 2.133 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000160265374 546024622 /nfs/dbraw/zinc/02/46/22/546024622.db2.gz YVUSFQWWQNWXLJ-GFCCVEGCSA-N 1 1 359.423 2.133 20 5 FEBDMO C[C@H](CN1CCOCC1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176228763 546422216 /nfs/dbraw/zinc/42/22/16/546422216.db2.gz RBSQKFWKRBQXLU-QGZVFWFLSA-N 1 1 373.457 2.014 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)nc1 ZINC000177199391 546568281 /nfs/dbraw/zinc/56/82/81/546568281.db2.gz VDQMYDHQRUKQIR-OAHLLOKOSA-N 1 1 365.397 2.257 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000177307829 546590593 /nfs/dbraw/zinc/59/05/93/546590593.db2.gz AKWBPHCXLBIMBP-HIFRSBDPSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1cc(C[NH+]2CCC([C@H](C)NC(C)=O)CC2)c([N+](=O)[O-])cc1F ZINC000481587550 561236798 /nfs/dbraw/zinc/23/67/98/561236798.db2.gz LEFKDIVPBXGDPG-NSHDSACASA-N 1 1 353.394 2.479 20 5 FEBDMO COc1cc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000481703672 561239059 /nfs/dbraw/zinc/23/90/59/561239059.db2.gz LNHPFGIJPAKFAC-MRXNPFEDSA-N 1 1 358.394 2.401 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179449216 546955191 /nfs/dbraw/zinc/95/51/91/546955191.db2.gz JXKPAPVZRBOKIF-UHFFFAOYSA-N 1 1 363.439 2.477 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000179449216 546955193 /nfs/dbraw/zinc/95/51/93/546955193.db2.gz JXKPAPVZRBOKIF-UHFFFAOYSA-N 1 1 363.439 2.477 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[N@H+]1C[C@@H](C)O ZINC000179643731 546990627 /nfs/dbraw/zinc/99/06/27/546990627.db2.gz YGWGDBSBYQSYPS-GDBMZVCRSA-N 1 1 363.458 2.437 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)Cc1ccccc1 ZINC000180899386 547205114 /nfs/dbraw/zinc/20/51/14/547205114.db2.gz UOWDTCIHXHWAPS-UHFFFAOYSA-N 1 1 357.366 2.185 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181424876 547312963 /nfs/dbraw/zinc/31/29/63/547312963.db2.gz HUVUHOBDDVFFHP-BBRMVZONSA-N 1 1 365.430 2.415 20 5 FEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000181937079 547408577 /nfs/dbraw/zinc/40/85/77/547408577.db2.gz AZUDJRSGMLEJJK-BBWFWOEESA-N 1 1 363.458 2.282 20 5 FEBDMO CCC[NH+]1CCC(N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181945374 547410724 /nfs/dbraw/zinc/41/07/24/547410724.db2.gz NJIULUTXVRFGTG-INIZCTEOSA-N 1 1 351.447 2.141 20 5 FEBDMO Cn1cc(Cl)cc1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181996509 547419412 /nfs/dbraw/zinc/41/94/12/547419412.db2.gz OZTXVFWGJZYEPW-CQSZACIVSA-N 1 1 353.806 2.458 20 5 FEBDMO C[C@@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000183525740 547675578 /nfs/dbraw/zinc/67/55/78/547675578.db2.gz WLZVOSRCSBUUIY-CYBMUJFWSA-N 1 1 367.421 2.143 20 5 FEBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000183592495 547686026 /nfs/dbraw/zinc/68/60/26/547686026.db2.gz KCFUXWHOESJILT-UHFFFAOYSA-N 1 1 357.414 2.342 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H](C)C1 ZINC000183633253 547693569 /nfs/dbraw/zinc/69/35/69/547693569.db2.gz XCDWSPSIAJWYSP-ZIAGYGMSSA-N 1 1 365.434 2.248 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184588700 547850402 /nfs/dbraw/zinc/85/04/02/547850402.db2.gz VTAOPZMHWGNWLL-OAHLLOKOSA-N 1 1 355.460 2.231 20 5 FEBDMO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(-c2cccc(F)c2)no1 ZINC000185103626 547933767 /nfs/dbraw/zinc/93/37/67/547933767.db2.gz KRMVUNYLIQGRCW-NSHDSACASA-N 1 1 373.344 2.296 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185599847 548007062 /nfs/dbraw/zinc/00/70/62/548007062.db2.gz VCSSGSADSCAMPF-LBPRGKRZSA-N 1 1 366.443 2.152 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CCO)CC2CCCCC2)c([N+](=O)[O-])c1 ZINC000485858294 561330209 /nfs/dbraw/zinc/33/02/09/561330209.db2.gz MRVUKCCUBYVYOY-UHFFFAOYSA-N 1 1 365.430 2.417 20 5 FEBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186932446 548222374 /nfs/dbraw/zinc/22/23/74/548222374.db2.gz UEMGSZKEFCYCKA-UHFFFAOYSA-N 1 1 358.398 2.466 20 5 FEBDMO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000193936028 548409885 /nfs/dbraw/zinc/40/98/85/548409885.db2.gz AZECYVGQUQUWOV-GFCCVEGCSA-N 1 1 368.393 2.356 20 5 FEBDMO C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000193936028 548409890 /nfs/dbraw/zinc/40/98/90/548409890.db2.gz AZECYVGQUQUWOV-GFCCVEGCSA-N 1 1 368.393 2.356 20 5 FEBDMO O=[N+]([O-])c1cncc(Br)c1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000227537449 548752129 /nfs/dbraw/zinc/75/21/29/548752129.db2.gz HOXQGZRYBXRNLX-NXEZZACHSA-N 1 1 357.208 2.027 20 5 FEBDMO Cc1cc(N2CCC[N@H+](CCO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000235832155 548766139 /nfs/dbraw/zinc/76/61/39/548766139.db2.gz UBVUYXJBGUFSDP-UHFFFAOYSA-N 1 1 358.236 2.170 20 5 FEBDMO Cc1cc(N2CCC[N@@H+](CCO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000235832155 548766141 /nfs/dbraw/zinc/76/61/41/548766141.db2.gz UBVUYXJBGUFSDP-UHFFFAOYSA-N 1 1 358.236 2.170 20 5 FEBDMO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000237151194 548803658 /nfs/dbraw/zinc/80/36/58/548803658.db2.gz FRFCTJZCNIDFOA-UHFFFAOYSA-N 1 1 350.396 2.167 20 5 FEBDMO COCCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245467436 548928411 /nfs/dbraw/zinc/92/84/11/548928411.db2.gz ZMASOWQBIFZISJ-HUUCEWRRSA-N 1 1 365.430 2.215 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)cc1 ZINC000245849656 549003718 /nfs/dbraw/zinc/00/37/18/549003718.db2.gz JCRASYOKRWUQJO-CZUORRHYSA-N 1 1 363.805 2.006 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1ccc(Cl)cc1 ZINC000245849656 549003720 /nfs/dbraw/zinc/00/37/20/549003720.db2.gz JCRASYOKRWUQJO-CZUORRHYSA-N 1 1 363.805 2.006 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245869061 549006181 /nfs/dbraw/zinc/00/61/81/549006181.db2.gz GPWUFZHDHALEOS-HOCLYGCPSA-N 1 1 369.487 2.129 20 5 FEBDMO CCC[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000245930627 549022258 /nfs/dbraw/zinc/02/22/58/549022258.db2.gz PFINSQCGGXGBSM-QZTJIDSGSA-N 1 1 351.447 2.061 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000246028500 549039050 /nfs/dbraw/zinc/03/90/50/549039050.db2.gz AAKBMMJSKXQFMR-KBPBESRZSA-N 1 1 353.444 2.151 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246164068 549067845 /nfs/dbraw/zinc/06/78/45/549067845.db2.gz OJOGLGULLPDYFY-KBPBESRZSA-N 1 1 364.446 2.204 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000246693338 549189614 /nfs/dbraw/zinc/18/96/14/549189614.db2.gz YYQBTQJRTRWEFV-ZFWWWQNUSA-N 1 1 355.460 2.254 20 5 FEBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCCCc1ccccc1 ZINC000488990166 561401154 /nfs/dbraw/zinc/40/11/54/561401154.db2.gz ZLTGIUHMRUUYQU-UHFFFAOYSA-N 1 1 371.441 2.177 20 5 FEBDMO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248846024 549512697 /nfs/dbraw/zinc/51/26/97/549512697.db2.gz NESXOJJDPPFLQN-PBHICJAKSA-N 1 1 367.409 2.430 20 5 FEBDMO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248846024 549512699 /nfs/dbraw/zinc/51/26/99/549512699.db2.gz NESXOJJDPPFLQN-PBHICJAKSA-N 1 1 367.409 2.430 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248859680 549515674 /nfs/dbraw/zinc/51/56/74/549515674.db2.gz SDHSGHFQWPWMNP-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249717848 549618102 /nfs/dbraw/zinc/61/81/02/549618102.db2.gz JWNXAMRIBFFAQS-DZGCQCFKSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249717848 549618107 /nfs/dbraw/zinc/61/81/07/549618107.db2.gz JWNXAMRIBFFAQS-DZGCQCFKSA-N 1 1 374.441 2.160 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489927324 561422480 /nfs/dbraw/zinc/42/24/80/561422480.db2.gz WKCIRFBDTMYZDQ-CYBMUJFWSA-N 1 1 366.381 2.183 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000269652853 550214181 /nfs/dbraw/zinc/21/41/81/550214181.db2.gz GYIOCPHRUBKEBH-SFHVURJKSA-N 1 1 355.394 2.392 20 5 FEBDMO CC(C)N1CC[NH+](C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000270835145 550312033 /nfs/dbraw/zinc/31/20/33/550312033.db2.gz DECCIQUXFMSZPW-UHFFFAOYSA-N 1 1 366.487 2.287 20 5 FEBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859339 550314872 /nfs/dbraw/zinc/31/48/72/550314872.db2.gz ZORJQXFFFDTDLJ-INIZCTEOSA-N 1 1 371.441 2.313 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272463571 550450544 /nfs/dbraw/zinc/45/05/44/550450544.db2.gz SERFFOWZIIIUMY-SMDDNHRTSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272463571 550450545 /nfs/dbraw/zinc/45/05/45/550450545.db2.gz SERFFOWZIIIUMY-SMDDNHRTSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486020 550452701 /nfs/dbraw/zinc/45/27/01/550452701.db2.gz RMEKRDNZRBGWET-UKRRQHHQSA-N 1 1 355.398 2.085 20 5 FEBDMO CCOC(=O)CC[N@H+](Cc1cccnc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000274146571 550524967 /nfs/dbraw/zinc/52/49/67/550524967.db2.gz HTDDKORWWLFUGF-GOSISDBHSA-N 1 1 373.409 2.479 20 5 FEBDMO COc1cc(C(=O)N(C)CC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000274573782 550544666 /nfs/dbraw/zinc/54/46/66/550544666.db2.gz MWHGWMZQUMFZAN-UHFFFAOYSA-N 1 1 373.356 2.371 20 5 FEBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000274619859 550546524 /nfs/dbraw/zinc/54/65/24/550546524.db2.gz FLHIMOMFGNHXLF-HNNXBMFYSA-N 1 1 359.430 2.215 20 5 FEBDMO COc1cc(CNCCC[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000277701419 550703698 /nfs/dbraw/zinc/70/36/98/550703698.db2.gz IBJILPPEYITTIE-CQSZACIVSA-N 1 1 367.446 2.203 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277733776 550708011 /nfs/dbraw/zinc/70/80/11/550708011.db2.gz OHJFJZVUQFIQLR-STQMWFEESA-N 1 1 374.445 2.391 20 5 FEBDMO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278045236 550742630 /nfs/dbraw/zinc/74/26/30/550742630.db2.gz LKOWUSIJLRLCJW-UKRRQHHQSA-N 1 1 370.409 2.336 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000278632090 550806155 /nfs/dbraw/zinc/80/61/55/550806155.db2.gz OGTYKEJZQQXTJH-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO O=C1C[C@@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)CN1 ZINC000278915038 550835410 /nfs/dbraw/zinc/83/54/10/550835410.db2.gz QUWXSEPRUUIRPF-SFHVURJKSA-N 1 1 356.382 2.004 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278920639 550835913 /nfs/dbraw/zinc/83/59/13/550835913.db2.gz RNZVIGCJOMMNGY-GOEBONIOSA-N 1 1 367.471 2.464 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278920639 550835915 /nfs/dbraw/zinc/83/59/15/550835915.db2.gz RNZVIGCJOMMNGY-GOEBONIOSA-N 1 1 367.471 2.464 20 5 FEBDMO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000495207016 561484541 /nfs/dbraw/zinc/48/45/41/561484541.db2.gz ATVKSFHSUZDBNU-MRXNPFEDSA-N 1 1 362.430 2.175 20 5 FEBDMO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000495207016 561484542 /nfs/dbraw/zinc/48/45/42/561484542.db2.gz ATVKSFHSUZDBNU-MRXNPFEDSA-N 1 1 362.430 2.175 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000495471499 561488633 /nfs/dbraw/zinc/48/86/33/561488633.db2.gz YJLVLJNERPWBDK-OIISXLGYSA-N 1 1 352.431 2.063 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280337148 550982457 /nfs/dbraw/zinc/98/24/57/550982457.db2.gz HNJCKNCIHNATEP-KSSFIOAISA-N 1 1 363.414 2.112 20 5 FEBDMO CC[C@H](C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)OC ZINC000281191485 551072476 /nfs/dbraw/zinc/07/24/76/551072476.db2.gz BSYVVUCPERMFFX-NSHDSACASA-N 1 1 355.366 2.336 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000281684908 551130426 /nfs/dbraw/zinc/13/04/26/551130426.db2.gz FPLFISINVJJSBD-UHFFFAOYSA-N 1 1 354.838 2.004 20 5 FEBDMO Cc1cccc(NCCNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])[nH+]1 ZINC000497515637 561502785 /nfs/dbraw/zinc/50/27/85/561502785.db2.gz PDZOGRUTWMDMDU-UHFFFAOYSA-N 1 1 350.400 2.226 20 5 FEBDMO COC(=O)[C@]1(C)C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000282803426 551272175 /nfs/dbraw/zinc/27/21/75/551272175.db2.gz QWELMBAGUCEXJS-AEDCBLDQSA-N 1 1 363.414 2.361 20 5 FEBDMO C[N@H+]1C[C@@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000497801934 561509200 /nfs/dbraw/zinc/50/92/00/561509200.db2.gz DZUDCVXMJGIVTM-NVXWUHKLSA-N 1 1 365.393 2.299 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000283642876 551402363 /nfs/dbraw/zinc/40/23/63/551402363.db2.gz QGAWINJCWHWXMZ-HNNXBMFYSA-N 1 1 362.361 2.476 20 5 FEBDMO CN1CCO[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000284417888 551544975 /nfs/dbraw/zinc/54/49/75/551544975.db2.gz RAFGWVVTKBZQCH-ZFWWWQNUSA-N 1 1 357.357 2.101 20 5 FEBDMO CN1CCO[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000284417888 551544976 /nfs/dbraw/zinc/54/49/76/551544976.db2.gz RAFGWVVTKBZQCH-ZFWWWQNUSA-N 1 1 357.357 2.101 20 5 FEBDMO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000284726916 551618286 /nfs/dbraw/zinc/61/82/86/551618286.db2.gz KAUQOBKUVVTEMT-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000284726916 551618288 /nfs/dbraw/zinc/61/82/88/551618288.db2.gz KAUQOBKUVVTEMT-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO C[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000284765343 551627701 /nfs/dbraw/zinc/62/77/01/551627701.db2.gz MOGDCHLMKNSEMO-PMACEKPBSA-N 1 1 355.438 2.487 20 5 FEBDMO CN1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000284765343 551627705 /nfs/dbraw/zinc/62/77/05/551627705.db2.gz MOGDCHLMKNSEMO-PMACEKPBSA-N 1 1 355.438 2.487 20 5 FEBDMO CN1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000284765343 551627706 /nfs/dbraw/zinc/62/77/06/551627706.db2.gz MOGDCHLMKNSEMO-PMACEKPBSA-N 1 1 355.438 2.487 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285238752 551724670 /nfs/dbraw/zinc/72/46/70/551724670.db2.gz BMYVSBCQXLNFCU-UKRRQHHQSA-N 1 1 355.460 2.320 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285238752 551724672 /nfs/dbraw/zinc/72/46/72/551724672.db2.gz BMYVSBCQXLNFCU-UKRRQHHQSA-N 1 1 355.460 2.320 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H](C)[S@@]1=O ZINC000285428167 551755080 /nfs/dbraw/zinc/75/50/80/551755080.db2.gz CFXZHDKUIJBLEP-SUXZAAGHSA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H](C)[S@@]1=O ZINC000285428167 551755082 /nfs/dbraw/zinc/75/50/82/551755082.db2.gz CFXZHDKUIJBLEP-SUXZAAGHSA-N 1 1 367.471 2.463 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000285453489 551759012 /nfs/dbraw/zinc/75/90/12/551759012.db2.gz JDCCDZBKNPEYML-GFCCVEGCSA-N 1 1 373.862 2.294 20 5 FEBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000286641020 551909621 /nfs/dbraw/zinc/90/96/21/551909621.db2.gz YUCUBQUFNKFIGK-SFHVURJKSA-N 1 1 370.409 2.390 20 5 FEBDMO Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000286641020 551909623 /nfs/dbraw/zinc/90/96/23/551909623.db2.gz YUCUBQUFNKFIGK-SFHVURJKSA-N 1 1 370.409 2.390 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[NH+](C3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC000499618151 561554773 /nfs/dbraw/zinc/55/47/73/561554773.db2.gz RADUMWJQTHNIEX-UHFFFAOYSA-N 1 1 361.398 2.082 20 5 FEBDMO COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)CC[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000499828964 561559452 /nfs/dbraw/zinc/55/94/52/561559452.db2.gz NNVBVNPYDXDEDT-LLVKDONJSA-N 1 1 364.402 2.248 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000289350282 552305653 /nfs/dbraw/zinc/30/56/53/552305653.db2.gz JBRIIVKGHBOKCZ-AWEZNQCLSA-N 1 1 355.460 2.007 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000289857531 552390185 /nfs/dbraw/zinc/39/01/85/552390185.db2.gz QWJIQPXRTIQUAP-CXAGYDPISA-N 1 1 362.430 2.484 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000289868880 552392197 /nfs/dbraw/zinc/39/21/97/552392197.db2.gz RDVXWFQENNUMSN-RRQGHBQHSA-N 1 1 350.415 2.224 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000289903489 552396915 /nfs/dbraw/zinc/39/69/15/552396915.db2.gz UQQHDYYGWHSPEC-UHFFFAOYSA-N 1 1 363.462 2.305 20 5 FEBDMO CCc1ccc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000289974455 552408416 /nfs/dbraw/zinc/40/84/16/552408416.db2.gz CKVZJAVANGICJW-UHFFFAOYSA-N 1 1 350.463 2.113 20 5 FEBDMO CCc1ccc(C(=O)N(C)CCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000289974455 552408418 /nfs/dbraw/zinc/40/84/18/552408418.db2.gz CKVZJAVANGICJW-UHFFFAOYSA-N 1 1 350.463 2.113 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808868 552542049 /nfs/dbraw/zinc/54/20/49/552542049.db2.gz QXUROIIBLIMMFF-CJNGLKHVSA-N 1 1 369.425 2.411 20 5 FEBDMO C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000501081944 561589409 /nfs/dbraw/zinc/58/94/09/561589409.db2.gz BOXGGHKXLGRLAC-ZDUSSCGKSA-N 1 1 364.446 2.423 20 5 FEBDMO CCN1CC[NH+]([C@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000291957230 552678634 /nfs/dbraw/zinc/67/86/34/552678634.db2.gz NWCWCIUWQUWQRY-HNNXBMFYSA-N 1 1 355.442 2.359 20 5 FEBDMO CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H](C)CO ZINC000292254608 552709222 /nfs/dbraw/zinc/70/92/22/552709222.db2.gz RCGWCJHTTJCKAX-LLVKDONJSA-N 1 1 364.427 2.360 20 5 FEBDMO CC[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H](C)CO ZINC000292254608 552709224 /nfs/dbraw/zinc/70/92/24/552709224.db2.gz RCGWCJHTTJCKAX-LLVKDONJSA-N 1 1 364.427 2.360 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292703291 552750913 /nfs/dbraw/zinc/75/09/13/552750913.db2.gz DLVLENLVLZFJFO-INIZCTEOSA-N 1 1 371.434 2.149 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@@H](O)C12CCCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000292782321 552757963 /nfs/dbraw/zinc/75/79/63/552757963.db2.gz QARUJRDRQIOKQW-OAHLLOKOSA-N 1 1 351.378 2.442 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292878658 552767881 /nfs/dbraw/zinc/76/78/81/552767881.db2.gz FCHDFYOCBPYKJR-UHFFFAOYSA-N 1 1 352.435 2.097 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C2)C1 ZINC000293970327 552871969 /nfs/dbraw/zinc/87/19/69/552871969.db2.gz UOPQTYVKYIPJGL-LJQANCHMSA-N 1 1 358.442 2.363 20 5 FEBDMO COC(C[N@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)OC ZINC000294495847 552910686 /nfs/dbraw/zinc/91/06/86/552910686.db2.gz HYYRPWNLUXMYER-UHFFFAOYSA-N 1 1 366.336 2.417 20 5 FEBDMO COC(C[N@@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)OC ZINC000294495847 552910688 /nfs/dbraw/zinc/91/06/88/552910688.db2.gz HYYRPWNLUXMYER-UHFFFAOYSA-N 1 1 366.336 2.417 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000294823093 552936889 /nfs/dbraw/zinc/93/68/89/552936889.db2.gz CUHDSOPNCYGSHK-CYBMUJFWSA-N 1 1 357.414 2.399 20 5 FEBDMO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000294823093 552936890 /nfs/dbraw/zinc/93/68/90/552936890.db2.gz CUHDSOPNCYGSHK-CYBMUJFWSA-N 1 1 357.414 2.399 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)[nH]n2)C1 ZINC000294823093 552936891 /nfs/dbraw/zinc/93/68/91/552936891.db2.gz CUHDSOPNCYGSHK-CYBMUJFWSA-N 1 1 357.414 2.399 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294926950 552944883 /nfs/dbraw/zinc/94/48/83/552944883.db2.gz LDFUDFAAEPSTEV-UHFFFAOYSA-N 1 1 363.361 2.392 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](CCCO)C2)c(Br)c1 ZINC000294977580 552948582 /nfs/dbraw/zinc/94/85/82/552948582.db2.gz OTHDOFBZTXYTPE-SNVBAGLBSA-N 1 1 359.224 2.011 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@H+](CCCO)C2)c(Br)c1 ZINC000294977580 552948584 /nfs/dbraw/zinc/94/85/84/552948584.db2.gz OTHDOFBZTXYTPE-SNVBAGLBSA-N 1 1 359.224 2.011 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H](O)c1ccccc1Br ZINC000295364708 552994979 /nfs/dbraw/zinc/99/49/79/552994979.db2.gz PFFAJIKXUKNTJO-AWEZNQCLSA-N 1 1 369.219 2.219 20 5 FEBDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295743821 553053080 /nfs/dbraw/zinc/05/30/80/553053080.db2.gz WSRUZQRLOUPRHP-ZDUSSCGKSA-N 1 1 364.402 2.086 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000295969260 553083138 /nfs/dbraw/zinc/08/31/38/553083138.db2.gz VPPJIOQUOUGRIM-LLVKDONJSA-N 1 1 355.822 2.255 20 5 FEBDMO CCc1nn(C)c(CC)c1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000295993046 553086124 /nfs/dbraw/zinc/08/61/24/553086124.db2.gz LAKKURJMGMSISR-UHFFFAOYSA-N 1 1 358.446 2.170 20 5 FEBDMO CC[N@H+](Cc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1)C1CC1 ZINC000296365896 553148483 /nfs/dbraw/zinc/14/84/83/553148483.db2.gz IJFVQYYUBLDPFO-UHFFFAOYSA-N 1 1 355.358 2.210 20 5 FEBDMO CC[N@@H+](Cc1nc(-c2ccc(-n3cncn3)c([N+](=O)[O-])c2)no1)C1CC1 ZINC000296365896 553148485 /nfs/dbraw/zinc/14/84/85/553148485.db2.gz IJFVQYYUBLDPFO-UHFFFAOYSA-N 1 1 355.358 2.210 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000502659005 561622965 /nfs/dbraw/zinc/62/29/65/561622965.db2.gz UJXZIDJGQIGEDE-LLVKDONJSA-N 1 1 366.443 2.331 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4cccc([N+](=O)[O-])c34)[C@H]2C1 ZINC000502740202 561624321 /nfs/dbraw/zinc/62/43/21/561624321.db2.gz UPGBNQQMSWAEEY-JKSUJKDBSA-N 1 1 358.398 2.011 20 5 FEBDMO Cc1cc(F)c(NC(=O)NCCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000296644955 553192373 /nfs/dbraw/zinc/19/23/73/553192373.db2.gz DRWFYTKBGOOZDM-UHFFFAOYSA-N 1 1 355.414 2.047 20 5 FEBDMO Cc1cc(F)c(NC(=O)NCCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000296644955 553192375 /nfs/dbraw/zinc/19/23/75/553192375.db2.gz DRWFYTKBGOOZDM-UHFFFAOYSA-N 1 1 355.414 2.047 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])cc1F ZINC000297768943 553336686 /nfs/dbraw/zinc/33/66/86/553336686.db2.gz LWEMOEKDNCUAMO-BXUZGUMPSA-N 1 1 351.378 2.299 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000298098713 553383628 /nfs/dbraw/zinc/38/36/28/553383628.db2.gz LFQVLAWBLCNLBN-CQSZACIVSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000503424072 561641055 /nfs/dbraw/zinc/64/10/55/561641055.db2.gz FJIBUMIEGSSMCU-CABCVRRESA-N 1 1 369.487 2.320 20 5 FEBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@H+]1CCc2sccc2C1 ZINC000298297895 553409394 /nfs/dbraw/zinc/40/93/94/553409394.db2.gz LASZLTOOWPKPQD-SNVBAGLBSA-N 1 1 361.427 2.009 20 5 FEBDMO Cc1c(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000298393239 553419984 /nfs/dbraw/zinc/41/99/84/553419984.db2.gz MDTSMBHPLVOEJR-QGZVFWFLSA-N 1 1 363.462 2.297 20 5 FEBDMO CC[C@]1(CO)CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000298507016 553433857 /nfs/dbraw/zinc/43/38/57/553433857.db2.gz KLQARWFTZHPCJB-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000299343027 553550693 /nfs/dbraw/zinc/55/06/93/553550693.db2.gz OVMFOOOKWYCTPD-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000299457612 553565927 /nfs/dbraw/zinc/56/59/27/553565927.db2.gz AZSLUSVQTFBUPR-KGLIPLIRSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000299457612 553565929 /nfs/dbraw/zinc/56/59/29/553565929.db2.gz AZSLUSVQTFBUPR-KGLIPLIRSA-N 1 1 362.430 2.160 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000299730187 553608953 /nfs/dbraw/zinc/60/89/53/553608953.db2.gz WQYGJMGVWAPHSQ-UONOGXRCSA-N 1 1 362.430 2.091 20 5 FEBDMO C[N@@H+](Cc1ccccc1)C1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000504657383 561660801 /nfs/dbraw/zinc/66/08/01/561660801.db2.gz DRRICPIWLPBXNU-LJQANCHMSA-N 1 1 371.437 2.151 20 5 FEBDMO Cc1cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301960663 553694631 /nfs/dbraw/zinc/69/46/31/553694631.db2.gz MLDVETANRPFFOK-AWEZNQCLSA-N 1 1 366.849 2.475 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000302113798 553704952 /nfs/dbraw/zinc/70/49/52/553704952.db2.gz BRVHRWSLCJAGQC-GFCCVEGCSA-N 1 1 370.475 2.165 20 5 FEBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000312610996 553756371 /nfs/dbraw/zinc/75/63/71/553756371.db2.gz GTXJHRZHCOXKNT-OAHLLOKOSA-N 1 1 369.425 2.214 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000313352181 553757941 /nfs/dbraw/zinc/75/79/41/553757941.db2.gz NYCAKCNEDLGFRB-QGZVFWFLSA-N 1 1 361.423 2.071 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505603060 561675006 /nfs/dbraw/zinc/67/50/06/561675006.db2.gz BAGGVSQHLANNMY-GWCFXTLKSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505603060 561675007 /nfs/dbraw/zinc/67/50/07/561675007.db2.gz BAGGVSQHLANNMY-GWCFXTLKSA-N 1 1 360.357 2.450 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)C1 ZINC000506452225 561699233 /nfs/dbraw/zinc/69/92/33/561699233.db2.gz OAOKRMJJOHWHBE-CYBMUJFWSA-N 1 1 357.414 2.480 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000330710043 554161697 /nfs/dbraw/zinc/16/16/97/554161697.db2.gz OQJKQWCXMKJUAQ-UHFFFAOYSA-N 1 1 359.423 2.277 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000330710043 554161698 /nfs/dbraw/zinc/16/16/98/554161698.db2.gz OQJKQWCXMKJUAQ-UHFFFAOYSA-N 1 1 359.423 2.277 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000331129149 554218001 /nfs/dbraw/zinc/21/80/01/554218001.db2.gz INVDSCFPLKQNLU-HNNXBMFYSA-N 1 1 365.430 2.414 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331222108 554232988 /nfs/dbraw/zinc/23/29/88/554232988.db2.gz CKLZLFGMYGWDLH-GFCCVEGCSA-N 1 1 359.423 2.193 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332186608 554396679 /nfs/dbraw/zinc/39/66/79/554396679.db2.gz VXEOXMMFZDHIPJ-ZDUSSCGKSA-N 1 1 363.414 2.074 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332206993 554401374 /nfs/dbraw/zinc/40/13/74/554401374.db2.gz FECNJJFHGXSKAY-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253160 554410325 /nfs/dbraw/zinc/41/03/25/554410325.db2.gz MILHXGSESGUVKZ-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000332297135 554419660 /nfs/dbraw/zinc/41/96/60/554419660.db2.gz KSFQUOLNFIQQDN-UHFFFAOYSA-N 1 1 364.427 2.267 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000332562100 554471854 /nfs/dbraw/zinc/47/18/54/554471854.db2.gz XEQUJCZWTKNXAR-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000510778656 561846302 /nfs/dbraw/zinc/84/63/02/561846302.db2.gz NHNOBSMSSZUJSY-STQMWFEESA-N 1 1 361.851 2.198 20 5 FEBDMO COc1c(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000334068041 554674425 /nfs/dbraw/zinc/67/44/25/554674425.db2.gz BSJLCEBFXFXMLC-CHWSQXEVSA-N 1 1 365.430 2.221 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCCOc1ccccc1 ZINC000511071199 561855819 /nfs/dbraw/zinc/85/58/19/561855819.db2.gz ARAVLGRHRZEPHS-UHFFFAOYSA-N 1 1 357.410 2.264 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCCOc1ccccc1 ZINC000511071199 561855820 /nfs/dbraw/zinc/85/58/20/561855820.db2.gz ARAVLGRHRZEPHS-UHFFFAOYSA-N 1 1 357.410 2.264 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000361099220 554904128 /nfs/dbraw/zinc/90/41/28/554904128.db2.gz BQAIAINRVYLVCO-AYOQOUSVSA-N 1 1 363.458 2.453 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCC[C@H]1O ZINC000511602938 561874225 /nfs/dbraw/zinc/87/42/25/561874225.db2.gz DPGULEPZMPWPGR-CHWSQXEVSA-N 1 1 372.219 2.141 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@H]1c1cccs1 ZINC000361390545 554920459 /nfs/dbraw/zinc/92/04/59/554920459.db2.gz GVEOTMPGYCIAAA-YGRLFVJLSA-N 1 1 362.411 2.180 20 5 FEBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000362337124 554964967 /nfs/dbraw/zinc/96/49/67/554964967.db2.gz SRTJGQJKQHNCKI-SWLSCSKDSA-N 1 1 361.450 2.119 20 5 FEBDMO O=C(c1ccoc1)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362902950 554997495 /nfs/dbraw/zinc/99/74/95/554997495.db2.gz XUGHRTYKYNTSGQ-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO O=C(c1ccoc1)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362902950 554997497 /nfs/dbraw/zinc/99/74/97/554997497.db2.gz XUGHRTYKYNTSGQ-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)cn1 ZINC000363170461 555045006 /nfs/dbraw/zinc/04/50/06/555045006.db2.gz IIPWIEHYTDRELV-ZDUSSCGKSA-N 1 1 368.397 2.443 20 5 FEBDMO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNCc1ccccc1[N+](=O)[O-] ZINC000363532948 555130482 /nfs/dbraw/zinc/13/04/82/555130482.db2.gz FVDCSKOFAMSDPK-UHFFFAOYSA-N 1 1 372.473 2.068 20 5 FEBDMO C[C@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1=CC[N@@H+](C)CC1 ZINC000512129957 561893405 /nfs/dbraw/zinc/89/34/05/561893405.db2.gz XZBIORREKZPOOU-ZDUSSCGKSA-N 1 1 355.398 2.161 20 5 FEBDMO C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1=CC[N@@H+](C)CC1 ZINC000512142834 561893869 /nfs/dbraw/zinc/89/38/69/561893869.db2.gz OEXFLUOOVNGJON-CYBMUJFWSA-N 1 1 370.409 2.288 20 5 FEBDMO CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364343314 555295168 /nfs/dbraw/zinc/29/51/68/555295168.db2.gz OMAGYGMJRCIYDG-MRXNPFEDSA-N 1 1 357.414 2.087 20 5 FEBDMO CN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364343314 555295169 /nfs/dbraw/zinc/29/51/69/555295169.db2.gz OMAGYGMJRCIYDG-MRXNPFEDSA-N 1 1 357.414 2.087 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427816 555312149 /nfs/dbraw/zinc/31/21/49/555312149.db2.gz SAVGPPMHWONYPW-XNRPHZJLSA-N 1 1 365.405 2.353 20 5 FEBDMO Cc1ncccc1O[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000364593334 555347710 /nfs/dbraw/zinc/34/77/10/555347710.db2.gz YMXADXWWIKBGDV-HOTGVXAUSA-N 1 1 373.409 2.191 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653933 555364175 /nfs/dbraw/zinc/36/41/75/555364175.db2.gz WFPXIWUJQIKYEQ-BXUZGUMPSA-N 1 1 363.443 2.121 20 5 FEBDMO CC(=O)c1ccc(N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000364664212 555367289 /nfs/dbraw/zinc/36/72/89/555367289.db2.gz UZLOTZGHLVVSSH-INIZCTEOSA-N 1 1 360.458 2.261 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000365048968 555473149 /nfs/dbraw/zinc/47/31/49/555473149.db2.gz XGAFCKYUPNHYSV-JKSUJKDBSA-N 1 1 350.415 2.083 20 5 FEBDMO Cn1nccc1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163021 555499158 /nfs/dbraw/zinc/49/91/58/555499158.db2.gz NBLOSKRXFXPBPB-RDTXWAMCSA-N 1 1 369.425 2.313 20 5 FEBDMO Cn1nccc1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163021 555499160 /nfs/dbraw/zinc/49/91/60/555499160.db2.gz NBLOSKRXFXPBPB-RDTXWAMCSA-N 1 1 369.425 2.313 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000365189793 555506329 /nfs/dbraw/zinc/50/63/29/555506329.db2.gz DQJXXWPXYJXIIJ-IUODEOHRSA-N 1 1 363.805 2.043 20 5 FEBDMO Cc1sc(C(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000365207161 555511165 /nfs/dbraw/zinc/51/11/65/555511165.db2.gz KNUDSVLLHYSFSA-CQSZACIVSA-N 1 1 366.487 2.064 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(F)c([N+](=O)[O-])cc1F ZINC000365340357 555548445 /nfs/dbraw/zinc/54/84/45/555548445.db2.gz AXNQYNVDVZLGLP-LLVKDONJSA-N 1 1 369.368 2.198 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000365393743 555562943 /nfs/dbraw/zinc/56/29/43/555562943.db2.gz KBEWKAOSGWPHTC-MORSLUCNSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000365393743 555562946 /nfs/dbraw/zinc/56/29/46/555562946.db2.gz KBEWKAOSGWPHTC-MORSLUCNSA-N 1 1 374.441 2.397 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365550001 555606673 /nfs/dbraw/zinc/60/66/73/555606673.db2.gz SNKBPUVQYFMSOF-KYJSFNMBSA-N 1 1 358.442 2.258 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000366200882 555779712 /nfs/dbraw/zinc/77/97/12/555779712.db2.gz KBLOUMPFFXGWJV-HFTRVMKXSA-N 1 1 352.394 2.365 20 5 FEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366281939 555800923 /nfs/dbraw/zinc/80/09/23/555800923.db2.gz CQQZQWRPTUJZCE-ZWKOTPCHSA-N 1 1 361.442 2.287 20 5 FEBDMO C[C@]1([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)NC(=O)NC1=O ZINC000366388814 555830641 /nfs/dbraw/zinc/83/06/41/555830641.db2.gz LLKQFWASGNFVQD-BDJLRTHQSA-N 1 1 366.805 2.058 20 5 FEBDMO CC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366567398 555878041 /nfs/dbraw/zinc/87/80/41/555878041.db2.gz CQUUFOUFSDCCMG-KBXCAEBGSA-N 1 1 366.414 2.252 20 5 FEBDMO CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366567398 555878043 /nfs/dbraw/zinc/87/80/43/555878043.db2.gz CQUUFOUFSDCCMG-KBXCAEBGSA-N 1 1 366.414 2.252 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1(C)C ZINC000366669835 555903995 /nfs/dbraw/zinc/90/39/95/555903995.db2.gz PGKCRZMMADEVBW-ZDUSSCGKSA-N 1 1 360.370 2.276 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1(C)C ZINC000366669835 555903997 /nfs/dbraw/zinc/90/39/97/555903997.db2.gz PGKCRZMMADEVBW-ZDUSSCGKSA-N 1 1 360.370 2.276 20 5 FEBDMO C[C@H](C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000366672666 555905062 /nfs/dbraw/zinc/90/50/62/555905062.db2.gz FBZQYCJSTZUNIV-ZDUSSCGKSA-N 1 1 367.421 2.143 20 5 FEBDMO O=C1NC[C@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]12 ZINC000367941635 556178875 /nfs/dbraw/zinc/17/88/75/556178875.db2.gz IYPRLRJRRYHVBL-SWLSCSKDSA-N 1 1 358.423 2.286 20 5 FEBDMO O=C1NC[C@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]12 ZINC000367941635 556178877 /nfs/dbraw/zinc/17/88/77/556178877.db2.gz IYPRLRJRRYHVBL-SWLSCSKDSA-N 1 1 358.423 2.286 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000370198404 556808168 /nfs/dbraw/zinc/80/81/68/556808168.db2.gz SDELRRWILXLKEA-INIZCTEOSA-N 1 1 371.441 2.074 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352411 556847704 /nfs/dbraw/zinc/84/77/04/556847704.db2.gz YSPKKLVLEFDESM-HUUCEWRRSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352411 556847706 /nfs/dbraw/zinc/84/77/06/556847706.db2.gz YSPKKLVLEFDESM-HUUCEWRRSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352411 556847708 /nfs/dbraw/zinc/84/77/08/556847708.db2.gz YSPKKLVLEFDESM-HUUCEWRRSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)no1 ZINC000370582324 556913902 /nfs/dbraw/zinc/91/39/02/556913902.db2.gz DQUPRGULWVIKLG-UHFFFAOYSA-N 1 1 362.361 2.881 20 5 FEBDMO O=C1CO[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]2N1 ZINC000370714219 556947285 /nfs/dbraw/zinc/94/72/85/556947285.db2.gz ADRXRVYZIZFBIS-ZBFHGGJFSA-N 1 1 373.434 2.413 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000371277063 557128618 /nfs/dbraw/zinc/12/86/18/557128618.db2.gz DSJSOYSGYKJOED-SFHVURJKSA-N 1 1 365.393 2.058 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000371277063 557128620 /nfs/dbraw/zinc/12/86/20/557128620.db2.gz DSJSOYSGYKJOED-SFHVURJKSA-N 1 1 365.393 2.058 20 5 FEBDMO CCCc1n[nH]c(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC000371281769 557130029 /nfs/dbraw/zinc/13/00/29/557130029.db2.gz DOSOJFSDIJYJNN-FOLVSLTJSA-N 1 1 369.425 2.131 20 5 FEBDMO CC(C)c1nccn1C[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371284768 557131298 /nfs/dbraw/zinc/13/12/98/557131298.db2.gz UTMBYGBYNAOSHG-OAHLLOKOSA-N 1 1 359.430 2.241 20 5 FEBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336588 557151792 /nfs/dbraw/zinc/15/17/92/557151792.db2.gz RVHVUXYQHNIRAE-WBVHZDCISA-N 1 1 360.414 2.295 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000517484735 562091064 /nfs/dbraw/zinc/09/10/64/562091064.db2.gz GYTUZFKOMHYOGV-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000517484735 562091065 /nfs/dbraw/zinc/09/10/65/562091065.db2.gz GYTUZFKOMHYOGV-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000371506307 557203471 /nfs/dbraw/zinc/20/34/71/557203471.db2.gz QHVKGBMMCGUNMZ-RISCZKNCSA-N 1 1 373.862 2.271 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000518846444 562119795 /nfs/dbraw/zinc/11/97/95/562119795.db2.gz UVJICOARSKRZKK-STQMWFEESA-N 1 1 362.430 2.037 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000518846444 562119796 /nfs/dbraw/zinc/11/97/96/562119796.db2.gz UVJICOARSKRZKK-STQMWFEESA-N 1 1 362.430 2.037 20 5 FEBDMO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000372286409 557430168 /nfs/dbraw/zinc/43/01/68/557430168.db2.gz ANZXENKUPKBPQE-FUHWJXTLSA-N 1 1 374.441 2.485 20 5 FEBDMO C[N@@H+](CCNC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000372803498 557565371 /nfs/dbraw/zinc/56/53/71/557565371.db2.gz PGFZPQULOOTEJL-OAHLLOKOSA-N 1 1 364.450 2.012 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000373081715 557624327 /nfs/dbraw/zinc/62/43/27/557624327.db2.gz SGSRVDHOSSMQBL-KBXCAEBGSA-N 1 1 371.441 2.450 20 5 FEBDMO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1 ZINC000373528458 557711551 /nfs/dbraw/zinc/71/15/51/557711551.db2.gz IFAOFSAJJVJCCY-AWEZNQCLSA-N 1 1 350.438 2.334 20 5 FEBDMO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C1CCN(C)CC1 ZINC000373528458 557711552 /nfs/dbraw/zinc/71/15/52/557711552.db2.gz IFAOFSAJJVJCCY-AWEZNQCLSA-N 1 1 350.438 2.334 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000373762471 557753878 /nfs/dbraw/zinc/75/38/78/557753878.db2.gz XAYHHVBONZEGDH-DOTOQJQBSA-N 1 1 360.414 2.425 20 5 FEBDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000374009033 557806739 /nfs/dbraw/zinc/80/67/39/557806739.db2.gz VDHYVFZBTCSCRQ-GFCCVEGCSA-N 1 1 358.402 2.250 20 5 FEBDMO CC[C@@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000374163374 557834834 /nfs/dbraw/zinc/83/48/34/557834834.db2.gz SYLJKMFVBCAEAG-WXYTYNPNSA-N 1 1 359.426 2.177 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000374307745 557862803 /nfs/dbraw/zinc/86/28/03/557862803.db2.gz IGUZFNXQUPLEMS-NVXWUHKLSA-N 1 1 360.414 2.425 20 5 FEBDMO C[N@H+]1C[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000374319343 557864933 /nfs/dbraw/zinc/86/49/33/557864933.db2.gz XQBGOMLWAGOAKR-HZPDHXFCSA-N 1 1 355.394 2.188 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374375704 557874281 /nfs/dbraw/zinc/87/42/81/557874281.db2.gz TWLZNUSZBVHKHL-OLZOCXBDSA-N 1 1 366.393 2.417 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374375704 557874283 /nfs/dbraw/zinc/87/42/83/557874283.db2.gz TWLZNUSZBVHKHL-OLZOCXBDSA-N 1 1 366.393 2.417 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000375010348 557963857 /nfs/dbraw/zinc/96/38/57/557963857.db2.gz APZYLWIHIHNSGP-XYJFISCASA-N 1 1 364.442 2.473 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000375032743 557967343 /nfs/dbraw/zinc/96/73/43/557967343.db2.gz SVHYDYILPMEYNI-XHDPSFHLSA-N 1 1 352.822 2.213 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375318548 558008273 /nfs/dbraw/zinc/00/82/73/558008273.db2.gz KICWTODZGNXJJQ-FZMZJTMJSA-N 1 1 355.358 2.244 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375318548 558008274 /nfs/dbraw/zinc/00/82/74/558008274.db2.gz KICWTODZGNXJJQ-FZMZJTMJSA-N 1 1 355.358 2.244 20 5 FEBDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000375390548 558019751 /nfs/dbraw/zinc/01/97/51/558019751.db2.gz JBDVGLMJJVDKEM-LLVKDONJSA-N 1 1 350.400 2.477 20 5 FEBDMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000375390548 558019752 /nfs/dbraw/zinc/01/97/52/558019752.db2.gz JBDVGLMJJVDKEM-LLVKDONJSA-N 1 1 350.400 2.477 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@H](O)c3c(F)cccc3F)C2)c1 ZINC000375406153 558021806 /nfs/dbraw/zinc/02/18/06/558021806.db2.gz UGHRZDPCKBLAJT-ABAIWWIYSA-N 1 1 352.341 2.440 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H](O)c3c(F)cccc3F)C2)c1 ZINC000375406153 558021808 /nfs/dbraw/zinc/02/18/08/558021808.db2.gz UGHRZDPCKBLAJT-ABAIWWIYSA-N 1 1 352.341 2.440 20 5 FEBDMO O=C(C[N@H+]1CCCC2(CCOCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375887422 558093828 /nfs/dbraw/zinc/09/38/28/558093828.db2.gz BTOZPVRIXDUHFJ-UHFFFAOYSA-N 1 1 359.426 2.377 20 5 FEBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000376394019 558167621 /nfs/dbraw/zinc/16/76/21/558167621.db2.gz FFMSBJPNFHEBOM-GFCCVEGCSA-N 1 1 368.397 2.436 20 5 FEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000377149216 558276579 /nfs/dbraw/zinc/27/65/79/558276579.db2.gz KMYOJVLHWIRRDU-QGZVFWFLSA-N 1 1 360.458 2.404 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(F)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000377642172 558384467 /nfs/dbraw/zinc/38/44/67/558384467.db2.gz AHJQJPUOVVPSGR-UHFFFAOYSA-N 1 1 371.328 2.028 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(F)cc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000377651436 558387042 /nfs/dbraw/zinc/38/70/42/558387042.db2.gz TYRNPJQPCFHHHU-UHFFFAOYSA-N 1 1 358.333 2.453 20 5 FEBDMO CC(C)(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)n1cc([N+](=O)[O-])cn1 ZINC000522476216 562199071 /nfs/dbraw/zinc/19/90/71/562199071.db2.gz ZVPNZGROBLASAE-UHFFFAOYSA-N 1 1 371.441 2.261 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)n1 ZINC000377760043 558413702 /nfs/dbraw/zinc/41/37/02/558413702.db2.gz INGSVZKCBBMUJX-QZTJIDSGSA-N 1 1 355.442 2.245 20 5 FEBDMO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378073177 558475021 /nfs/dbraw/zinc/47/50/21/558475021.db2.gz FRYMABGIXKFSIT-IBGZPJMESA-N 1 1 374.485 2.154 20 5 FEBDMO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378073177 558475024 /nfs/dbraw/zinc/47/50/24/558475024.db2.gz FRYMABGIXKFSIT-IBGZPJMESA-N 1 1 374.485 2.154 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000378306329 558525335 /nfs/dbraw/zinc/52/53/35/558525335.db2.gz AFQCLMBRWMCOPA-ZFWWWQNUSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000378306329 558525337 /nfs/dbraw/zinc/52/53/37/558525337.db2.gz AFQCLMBRWMCOPA-ZFWWWQNUSA-N 1 1 353.806 2.231 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000523480590 562213829 /nfs/dbraw/zinc/21/38/29/562213829.db2.gz ZBRDCBKPQIZANS-HNNXBMFYSA-N 1 1 350.419 2.085 20 5 FEBDMO COc1ccc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945429 562238029 /nfs/dbraw/zinc/23/80/29/562238029.db2.gz VJJZRYWSAUYPJK-FQEVSTJZSA-N 1 1 371.437 2.330 20 5 FEBDMO COc1ccc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524945429 562238030 /nfs/dbraw/zinc/23/80/30/562238030.db2.gz VJJZRYWSAUYPJK-FQEVSTJZSA-N 1 1 371.437 2.330 20 5 FEBDMO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525105000 562240609 /nfs/dbraw/zinc/24/06/09/562240609.db2.gz VCHAPVNQXXSJQC-NWDGAFQWSA-N 1 1 351.403 2.215 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000525324532 562246101 /nfs/dbraw/zinc/24/61/01/562246101.db2.gz PKVLPQKFVHZVPZ-CQSZACIVSA-N 1 1 361.446 2.241 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411317743 558875428 /nfs/dbraw/zinc/87/54/28/558875428.db2.gz PDBWZGFXSCDUDD-XJKSGUPXSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000411484172 558902635 /nfs/dbraw/zinc/90/26/35/558902635.db2.gz OPWNPXOJFVQLIJ-HNNXBMFYSA-N 1 1 362.430 2.078 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1F ZINC000411544913 558914327 /nfs/dbraw/zinc/91/43/27/558914327.db2.gz VQNYTIWOWPWZHZ-NSHDSACASA-N 1 1 364.377 2.242 20 5 FEBDMO CCN1C[C@@H](C)[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000411715109 558949570 /nfs/dbraw/zinc/94/95/70/558949570.db2.gz AXHVMRXMTCJFTN-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411844995 558975076 /nfs/dbraw/zinc/97/50/76/558975076.db2.gz KFABOPAPFNMQGY-KRWDZBQOSA-N 1 1 363.414 2.433 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@@H](N2CCCC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000412054953 559007268 /nfs/dbraw/zinc/00/72/68/559007268.db2.gz JXRWIDFYIZDXMN-MRXNPFEDSA-N 1 1 374.441 2.400 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412067656 559009279 /nfs/dbraw/zinc/00/92/79/559009279.db2.gz DWGYNTNCCLMNKV-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412090879 559012384 /nfs/dbraw/zinc/01/23/84/559012384.db2.gz YGKIPGPUVYFWIE-CYBMUJFWSA-N 1 1 354.428 2.332 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412090879 559012385 /nfs/dbraw/zinc/01/23/85/559012385.db2.gz YGKIPGPUVYFWIE-CYBMUJFWSA-N 1 1 354.428 2.332 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412100072 559013455 /nfs/dbraw/zinc/01/34/55/559013455.db2.gz XDSXHAUBJFCUMX-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO CC(C)Oc1cc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000412134615 559016378 /nfs/dbraw/zinc/01/63/78/559016378.db2.gz ZEOMHABNLYMNHR-AWEZNQCLSA-N 1 1 365.430 2.080 20 5 FEBDMO C[C@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000413535773 559114850 /nfs/dbraw/zinc/11/48/50/559114850.db2.gz UPNHKZMAOTWRQR-AWEZNQCLSA-N 1 1 354.410 2.404 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N2CC[NH2+]C[C@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000417716062 559373688 /nfs/dbraw/zinc/37/36/88/559373688.db2.gz LCHCUGLRLSPSBI-KRWDZBQOSA-N 1 1 367.425 2.048 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])CC1 ZINC000424991913 559682465 /nfs/dbraw/zinc/68/24/65/559682465.db2.gz QIMGBPIEWVPAPS-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425049251 559685203 /nfs/dbraw/zinc/68/52/03/559685203.db2.gz PKMKZZKUHWPYBV-MAUKXSAKSA-N 1 1 358.442 2.361 20 5 FEBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cn3cc([N+](=O)[O-])cn3)sc2C1 ZINC000425088082 559686731 /nfs/dbraw/zinc/68/67/31/559686731.db2.gz VNLKOLJNOMXYGD-UHFFFAOYSA-N 1 1 364.431 2.043 20 5 FEBDMO COC(=O)[C@H](CC(C)C)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429244552 559793759 /nfs/dbraw/zinc/79/37/59/559793759.db2.gz LNOICYGBQQGYGL-AWEZNQCLSA-N 1 1 365.430 2.123 20 5 FEBDMO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429396536 559797750 /nfs/dbraw/zinc/79/77/50/559797750.db2.gz BTXNFONGSSECCM-GUYCJALGSA-N 1 1 363.414 2.361 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429396536 559797751 /nfs/dbraw/zinc/79/77/51/559797751.db2.gz BTXNFONGSSECCM-GUYCJALGSA-N 1 1 363.414 2.361 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429769265 559805216 /nfs/dbraw/zinc/80/52/16/559805216.db2.gz CAEQJJGJCGLZQZ-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433068870 559871049 /nfs/dbraw/zinc/87/10/49/559871049.db2.gz BHZQXEQHDHJEKN-MRXNPFEDSA-N 1 1 357.410 2.377 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433068870 559871050 /nfs/dbraw/zinc/87/10/50/559871050.db2.gz BHZQXEQHDHJEKN-MRXNPFEDSA-N 1 1 357.410 2.377 20 5 FEBDMO CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122369 559872404 /nfs/dbraw/zinc/87/24/04/559872404.db2.gz VPNHRPYMYGTYCU-KSSFIOAISA-N 1 1 374.485 2.494 20 5 FEBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000439479657 559995192 /nfs/dbraw/zinc/99/51/92/559995192.db2.gz ANTMJAPPXAIMRY-SFHVURJKSA-N 1 1 366.414 2.395 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000441318719 560028497 /nfs/dbraw/zinc/02/84/97/560028497.db2.gz QBHUXYNAJYBQAE-BXUZGUMPSA-N 1 1 364.320 2.370 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000441318719 560028498 /nfs/dbraw/zinc/02/84/98/560028498.db2.gz QBHUXYNAJYBQAE-BXUZGUMPSA-N 1 1 364.320 2.370 20 5 FEBDMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000447807448 560169600 /nfs/dbraw/zinc/16/96/00/560169600.db2.gz ROBVXLRIEMPJGV-IRXDYDNUSA-N 1 1 360.458 2.466 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447929525 560173333 /nfs/dbraw/zinc/17/33/33/560173333.db2.gz IGOPBIGJUWQOHK-HNNXBMFYSA-N 1 1 355.460 2.302 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000448820305 560200890 /nfs/dbraw/zinc/20/08/90/560200890.db2.gz BALNHWNKCDPTHT-CYBMUJFWSA-N 1 1 357.414 2.447 20 5 FEBDMO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498321 560231672 /nfs/dbraw/zinc/23/16/72/560231672.db2.gz LCKDFVNAPWVTHW-IBGZPJMESA-N 1 1 374.485 2.361 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449956782 560246366 /nfs/dbraw/zinc/24/63/66/560246366.db2.gz AXKDMDSGLSLUTB-KRWDZBQOSA-N 1 1 357.414 2.397 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450054526 560249456 /nfs/dbraw/zinc/24/94/56/560249456.db2.gz YAADDCSUPLKDJA-HOTGVXAUSA-N 1 1 369.425 2.479 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450107733 560250806 /nfs/dbraw/zinc/25/08/06/560250806.db2.gz YKEBCLJXYBGDJR-HNNXBMFYSA-N 1 1 371.441 2.488 20 5 FEBDMO COC(=O)Cc1ccc(NC2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1 ZINC000450476339 560263543 /nfs/dbraw/zinc/26/35/43/560263543.db2.gz OYJQHNABBYYXME-UHFFFAOYSA-N 1 1 373.413 2.125 20 5 FEBDMO Cc1cc(NC[C@H]2CCCC[N@H+]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450617505 560268121 /nfs/dbraw/zinc/26/81/21/560268121.db2.gz RDBTZDZSCOYJDN-QGZVFWFLSA-N 1 1 371.441 2.041 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@H+]2CCO)c(Br)c1 ZINC000450619230 560268227 /nfs/dbraw/zinc/26/82/27/560268227.db2.gz UQVWYTJWSCKVJZ-SNVBAGLBSA-N 1 1 359.224 2.011 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCCC[N@@H+]2CCO)c(Br)c1 ZINC000450619230 560268228 /nfs/dbraw/zinc/26/82/28/560268228.db2.gz UQVWYTJWSCKVJZ-SNVBAGLBSA-N 1 1 359.224 2.011 20 5 FEBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451003928 560281764 /nfs/dbraw/zinc/28/17/64/560281764.db2.gz MSCDNXUJULMTOX-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000451003928 560281765 /nfs/dbraw/zinc/28/17/65/560281765.db2.gz MSCDNXUJULMTOX-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451691013 560322284 /nfs/dbraw/zinc/32/22/84/560322284.db2.gz BCXXHBPCWHAJGF-KJWYOANISA-N 1 1 359.426 2.183 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451814222 560330183 /nfs/dbraw/zinc/33/01/83/560330183.db2.gz SYKZRDXAKSYMEG-OLZOCXBDSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451814222 560330184 /nfs/dbraw/zinc/33/01/84/560330184.db2.gz SYKZRDXAKSYMEG-OLZOCXBDSA-N 1 1 365.430 2.413 20 5 FEBDMO CCOc1cc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000452028249 560346414 /nfs/dbraw/zinc/34/64/14/560346414.db2.gz ZLMPNWBVPSCMDQ-CQSZACIVSA-N 1 1 350.419 2.229 20 5 FEBDMO CCOc1cc(C[N@H+]2CCC[C@@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000452028249 560346415 /nfs/dbraw/zinc/34/64/15/560346415.db2.gz ZLMPNWBVPSCMDQ-CQSZACIVSA-N 1 1 350.419 2.229 20 5 FEBDMO CCOc1ccc(NC(=O)C[NH2+]C(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000452096146 560350837 /nfs/dbraw/zinc/35/08/37/560350837.db2.gz NAZBYNBRBOKAKT-UHFFFAOYSA-N 1 1 364.446 2.396 20 5 FEBDMO COC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000452100882 560351259 /nfs/dbraw/zinc/35/12/59/560351259.db2.gz IUDZIAHTEQMPPI-CQSZACIVSA-N 1 1 356.444 2.117 20 5 FEBDMO COC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000452100882 560351260 /nfs/dbraw/zinc/35/12/60/560351260.db2.gz IUDZIAHTEQMPPI-CQSZACIVSA-N 1 1 356.444 2.117 20 5 FEBDMO CC(C)(C)c1ccc(C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452785124 560374013 /nfs/dbraw/zinc/37/40/13/560374013.db2.gz QPBNUFRQWBDBDR-OAHLLOKOSA-N 1 1 363.458 2.469 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]21 ZINC000453038635 560381971 /nfs/dbraw/zinc/38/19/71/560381971.db2.gz QCQQKJCZJWKJIG-DOMZBBRYSA-N 1 1 358.423 2.494 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000456368127 560517804 /nfs/dbraw/zinc/51/78/04/560517804.db2.gz DULGHDOPJWVENI-ZDUSSCGKSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457092914 560548411 /nfs/dbraw/zinc/54/84/11/560548411.db2.gz XNUPLNDJKRCZFU-OAHLLOKOSA-N 1 1 363.414 2.326 20 5 FEBDMO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000462426356 560809469 /nfs/dbraw/zinc/80/94/69/560809469.db2.gz HKTANQFTWDCWBH-UHFFFAOYSA-N 1 1 372.425 2.337 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000466017120 560878037 /nfs/dbraw/zinc/87/80/37/560878037.db2.gz CMLIKXCSJCJPEW-AWEZNQCLSA-N 1 1 374.441 2.384 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000467134510 560904418 /nfs/dbraw/zinc/90/44/18/560904418.db2.gz XJZSQEOYGGYPIS-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000469057787 560946006 /nfs/dbraw/zinc/94/60/06/560946006.db2.gz UHKUIRSBWROVNH-OLZOCXBDSA-N 1 1 371.459 2.145 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000469163427 560948795 /nfs/dbraw/zinc/94/87/95/560948795.db2.gz IEHCNACNZXFLCH-STQMWFEESA-N 1 1 371.459 2.097 20 5 FEBDMO CC[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000470126068 560974803 /nfs/dbraw/zinc/97/48/03/560974803.db2.gz XVCYOWVQKQLITK-AWEZNQCLSA-N 1 1 354.382 2.308 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470173254 560975986 /nfs/dbraw/zinc/97/59/86/560975986.db2.gz KKXXVYRGWAELOO-WQMJKPAKSA-N 1 1 353.444 2.012 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475706399 561102794 /nfs/dbraw/zinc/10/27/94/561102794.db2.gz PBWDYBPYVHMAGH-GJZGRUSLSA-N 1 1 364.398 2.148 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722716 561103380 /nfs/dbraw/zinc/10/33/80/561103380.db2.gz STDDJWULRFRNRM-CABCVRRESA-N 1 1 364.398 2.005 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@H+]1CCc2ccccc2C1 ZINC000476377828 561117908 /nfs/dbraw/zinc/11/79/08/561117908.db2.gz XDFIPCKELYLGEO-QGZVFWFLSA-N 1 1 371.441 2.141 20 5 FEBDMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000531664756 562453553 /nfs/dbraw/zinc/45/35/53/562453553.db2.gz HQIQXWRQCBFMBL-GDBMZVCRSA-N 1 1 372.425 2.449 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000533309685 562504956 /nfs/dbraw/zinc/50/49/56/562504956.db2.gz VAFIFZSWMLAAOI-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000534272287 562529217 /nfs/dbraw/zinc/52/92/17/562529217.db2.gz UUFXZVOHPYDZMR-AWEZNQCLSA-N 1 1 357.414 2.241 20 5 FEBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](NC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000535808148 562568440 /nfs/dbraw/zinc/56/84/40/562568440.db2.gz SPYGRIUBKHOVKP-NSHDSACASA-N 1 1 360.370 2.106 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000541282496 562607869 /nfs/dbraw/zinc/60/78/69/562607869.db2.gz QODJWMUUZOVWOY-OWCLPIDISA-N 1 1 350.415 2.083 20 5 FEBDMO COCC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000541591802 562616032 /nfs/dbraw/zinc/61/60/32/562616032.db2.gz ZPZKVPRGYBVMBZ-UHFFFAOYSA-N 1 1 373.251 2.219 20 5 FEBDMO COCC[N@H+]1CCCN(c2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000541591802 562616033 /nfs/dbraw/zinc/61/60/33/562616033.db2.gz ZPZKVPRGYBVMBZ-UHFFFAOYSA-N 1 1 373.251 2.219 20 5 FEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908373 562623018 /nfs/dbraw/zinc/62/30/18/562623018.db2.gz KXWWCQZXWRPBBX-UKRRQHHQSA-N 1 1 355.398 2.369 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)cn1 ZINC000568349664 568024720 /nfs/dbraw/zinc/02/47/20/568024720.db2.gz AKSXBJKGMXQAEA-UHFFFAOYSA-N 1 1 354.370 2.295 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000569503290 568403881 /nfs/dbraw/zinc/40/38/81/568403881.db2.gz NHJVUWHEXNFNIH-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CN(CCCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)CC[NH+](C)C ZINC000569503290 568403882 /nfs/dbraw/zinc/40/38/82/568403882.db2.gz NHJVUWHEXNFNIH-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736652561 598274801 /nfs/dbraw/zinc/27/48/01/598274801.db2.gz YTPGPRJAEXGMCT-UHFFFAOYSA-N 1 1 354.370 2.463 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821000888 606224585 /nfs/dbraw/zinc/22/45/85/606224585.db2.gz KXJSUPHBZCBIBA-TZMCWYRMSA-N 1 1 357.418 2.228 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2COCc3ccccc32)cc1 ZINC000559904621 674559856 /nfs/dbraw/zinc/55/98/56/674559856.db2.gz SPGJPNRGGBCSFY-QGZVFWFLSA-N 1 1 362.407 2.230 20 5 FEBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1[N+](=O)[O-] ZINC000561985342 674713113 /nfs/dbraw/zinc/71/31/13/674713113.db2.gz CQEDEHLPRRLMAP-HNNXBMFYSA-N 1 1 367.471 2.197 20 5 FEBDMO Cc1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1[N+](=O)[O-] ZINC000561985342 674713117 /nfs/dbraw/zinc/71/31/17/674713117.db2.gz CQEDEHLPRRLMAP-HNNXBMFYSA-N 1 1 367.471 2.197 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000562224506 674730499 /nfs/dbraw/zinc/73/04/99/674730499.db2.gz ZLFIPANTKQYEBM-LBPRGKRZSA-N 1 1 351.403 2.232 20 5 FEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815009441 674895141 /nfs/dbraw/zinc/89/51/41/674895141.db2.gz FRDDCXXIMHMHJL-UHFFFAOYSA-N 1 1 365.814 2.104 20 5 FEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815009441 674895143 /nfs/dbraw/zinc/89/51/43/674895143.db2.gz FRDDCXXIMHMHJL-UHFFFAOYSA-N 1 1 365.814 2.104 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000041669604 670148874 /nfs/dbraw/zinc/14/88/74/670148874.db2.gz DWMVUEFQLPSSJR-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000041669611 670149151 /nfs/dbraw/zinc/14/91/51/670149151.db2.gz DWMVUEFQLPSSJR-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000816936303 675088215 /nfs/dbraw/zinc/08/82/15/675088215.db2.gz HTWGAJRJZWBVSK-GFCCVEGCSA-N 1 1 353.806 2.043 20 5 FEBDMO Cc1c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047144432 670235106 /nfs/dbraw/zinc/23/51/06/670235106.db2.gz NGSKSFLKVOKSRF-NSHDSACASA-N 1 1 350.375 2.416 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@H](CCNC(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000565381130 675116500 /nfs/dbraw/zinc/11/65/00/675116500.db2.gz PJZDYXBBYABRPT-CYBMUJFWSA-N 1 1 353.394 2.481 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](CCNC(C)=O)C2)c([N+](=O)[O-])cc1F ZINC000565381130 675116503 /nfs/dbraw/zinc/11/65/03/675116503.db2.gz PJZDYXBBYABRPT-CYBMUJFWSA-N 1 1 353.394 2.481 20 5 FEBDMO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000817491343 675138631 /nfs/dbraw/zinc/13/86/31/675138631.db2.gz OJIJFXHKZWBSBL-LBPRGKRZSA-N 1 1 350.375 2.286 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000609674026 675932023 /nfs/dbraw/zinc/93/20/23/675932023.db2.gz SQFYWOZPNSMDAC-UHFFFAOYSA-N 1 1 355.460 2.446 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000581248833 671878153 /nfs/dbraw/zinc/87/81/53/671878153.db2.gz PSWOCURZMXQFMB-KGLIPLIRSA-N 1 1 353.444 2.014 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000610135417 675956386 /nfs/dbraw/zinc/95/63/86/675956386.db2.gz RPNIGPWYNYLVOO-KBPBESRZSA-N 1 1 355.460 2.397 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000123934846 671987860 /nfs/dbraw/zinc/98/78/60/671987860.db2.gz CFHBQOPNPNGMPB-SNVBAGLBSA-N 1 1 361.851 2.318 20 5 FEBDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)s1 ZINC000582306429 671988323 /nfs/dbraw/zinc/98/83/23/671988323.db2.gz ORDCLHQQJNVRES-LBPRGKRZSA-N 1 1 363.443 2.282 20 5 FEBDMO O=C(OCC[NH+]1CCSCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000127616544 672039278 /nfs/dbraw/zinc/03/92/78/672039278.db2.gz YCTQMYGXXNWZON-UHFFFAOYSA-N 1 1 365.455 2.401 20 5 FEBDMO Cc1cc(F)cc(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000152156558 672176156 /nfs/dbraw/zinc/17/61/56/672176156.db2.gz RHEBCIBUBXWBMC-CQSZACIVSA-N 1 1 353.394 2.009 20 5 FEBDMO COC(=O)[C@@H](C)C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000153759393 672204228 /nfs/dbraw/zinc/20/42/28/672204228.db2.gz YLBDVGSXPUUANO-JTQLQIEISA-N 1 1 369.805 2.460 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000153759393 672204230 /nfs/dbraw/zinc/20/42/30/672204230.db2.gz YLBDVGSXPUUANO-JTQLQIEISA-N 1 1 369.805 2.460 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088327 676016638 /nfs/dbraw/zinc/01/66/38/676016638.db2.gz PQWNJNBNQSDWCI-ZDUSSCGKSA-N 1 1 367.471 2.389 20 5 FEBDMO CC[N@H+]1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000611088327 676016641 /nfs/dbraw/zinc/01/66/41/676016641.db2.gz PQWNJNBNQSDWCI-ZDUSSCGKSA-N 1 1 367.471 2.389 20 5 FEBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204939 676024548 /nfs/dbraw/zinc/02/45/48/676024548.db2.gz BUCLDBPVDICVHY-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO COC(=O)CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)C ZINC000611260673 676028685 /nfs/dbraw/zinc/02/86/85/676028685.db2.gz QHJFWFOTHXLVFL-UHFFFAOYSA-N 1 1 352.387 2.387 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@H]2C1 ZINC000590043742 672555405 /nfs/dbraw/zinc/55/54/05/672555405.db2.gz FLFNMYFYBYJWPG-DOMZBBRYSA-N 1 1 358.423 2.494 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000590445077 672583366 /nfs/dbraw/zinc/58/33/66/672583366.db2.gz QEBYRVMGRWEFPW-IUODEOHRSA-N 1 1 365.455 2.109 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000590444957 672583637 /nfs/dbraw/zinc/58/36/37/672583637.db2.gz OLQDDGVOEWUURK-TVQRCGJNSA-N 1 1 354.204 2.133 20 5 FEBDMO CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590758815 672612468 /nfs/dbraw/zinc/61/24/68/672612468.db2.gz PAQFQTWTUSBSKJ-HNNXBMFYSA-N 1 1 356.444 2.263 20 5 FEBDMO CS(=O)(=O)C[C@@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590758815 672612472 /nfs/dbraw/zinc/61/24/72/672612472.db2.gz PAQFQTWTUSBSKJ-HNNXBMFYSA-N 1 1 356.444 2.263 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCc2ccc(Cl)cc21 ZINC000593066560 672871254 /nfs/dbraw/zinc/87/12/54/672871254.db2.gz NOYJIQAJPJWYMC-WBMJQRKESA-N 1 1 364.833 2.467 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484745 673088750 /nfs/dbraw/zinc/08/87/50/673088750.db2.gz TVWSLQUFODHXHE-LSDHHAIUSA-N 1 1 353.444 2.198 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594792313 673144123 /nfs/dbraw/zinc/14/41/23/673144123.db2.gz PHDNTDACLDTIAQ-CQSZACIVSA-N 1 1 369.487 2.177 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594854182 673164830 /nfs/dbraw/zinc/16/48/30/673164830.db2.gz FHIKZJCEJLXZMT-LBPRGKRZSA-N 1 1 371.434 2.419 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594854182 673164837 /nfs/dbraw/zinc/16/48/37/673164837.db2.gz FHIKZJCEJLXZMT-LBPRGKRZSA-N 1 1 371.434 2.419 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595471752 673255406 /nfs/dbraw/zinc/25/54/06/673255406.db2.gz PONQHWQTAMPNEK-CYBMUJFWSA-N 1 1 350.419 2.275 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595498776 673258491 /nfs/dbraw/zinc/25/84/91/673258491.db2.gz AYGNVUHSJFULFL-ZDUSSCGKSA-N 1 1 350.419 2.146 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000595701101 673283920 /nfs/dbraw/zinc/28/39/20/673283920.db2.gz PSHRJXNSUCCBBT-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000595701101 673283923 /nfs/dbraw/zinc/28/39/23/673283923.db2.gz PSHRJXNSUCCBBT-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595815333 673327348 /nfs/dbraw/zinc/32/73/48/673327348.db2.gz OEQSZMKDAHVZMU-ZBFHGGJFSA-N 1 1 350.415 2.368 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596097826 673358404 /nfs/dbraw/zinc/35/84/04/673358404.db2.gz GVHWVSFWTTZGSO-AWEZNQCLSA-N 1 1 370.475 2.309 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732223588 673359306 /nfs/dbraw/zinc/35/93/06/673359306.db2.gz IOSBTXGKIVFGEF-GFCCVEGCSA-N 1 1 361.851 2.401 20 5 FEBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732226708 673359700 /nfs/dbraw/zinc/35/97/00/673359700.db2.gz OGXUFJLTVDGIKS-GFCCVEGCSA-N 1 1 359.835 2.105 20 5 FEBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732226708 673359704 /nfs/dbraw/zinc/35/97/04/673359704.db2.gz OGXUFJLTVDGIKS-GFCCVEGCSA-N 1 1 359.835 2.105 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)O[NH+]=C(N)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000732570792 673372624 /nfs/dbraw/zinc/37/26/24/673372624.db2.gz WAXUMVZHPAMACK-LLVKDONJSA-N 1 1 350.375 2.155 20 5 FEBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1CCCO1 ZINC000538707297 673453368 /nfs/dbraw/zinc/45/33/68/673453368.db2.gz ROGDJYLOXXZKGK-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000539727917 673503096 /nfs/dbraw/zinc/50/30/96/673503096.db2.gz DBWMQNZAGGIDCE-AEFFLSMTSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@@H]1[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1(=O)=O ZINC000599003547 673628013 /nfs/dbraw/zinc/62/80/13/673628013.db2.gz KUCSUEMDUYNFDT-QMTHXVAHSA-N 1 1 367.452 2.384 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000543673259 673660618 /nfs/dbraw/zinc/66/06/18/673660618.db2.gz MLWCEKATLYFQAF-JSGCOSHPSA-N 1 1 355.460 2.172 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599464536 673678789 /nfs/dbraw/zinc/67/87/89/673678789.db2.gz NKGFCAOSKNSGLQ-OAHLLOKOSA-N 1 1 353.444 2.031 20 5 FEBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000543990872 673681992 /nfs/dbraw/zinc/68/19/92/673681992.db2.gz YMKHWXYEVJLBCL-SNVBAGLBSA-N 1 1 353.375 2.232 20 5 FEBDMO CCC(O)(CC)C[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000599672543 673704946 /nfs/dbraw/zinc/70/49/46/673704946.db2.gz FPCSBXUQUORNOG-UHFFFAOYSA-N 1 1 351.403 2.376 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000614445270 676175448 /nfs/dbraw/zinc/17/54/48/676175448.db2.gz XHLIZYREKPLWOV-LBPRGKRZSA-N 1 1 353.444 2.157 20 5 FEBDMO CSc1cccc(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000614456932 676175932 /nfs/dbraw/zinc/17/59/32/676175932.db2.gz DLLYUNQUUKNBKS-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO CSc1cccc(C(=O)NCCC[N@@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000614456932 676175934 /nfs/dbraw/zinc/17/59/34/676175934.db2.gz DLLYUNQUUKNBKS-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO CSc1cccc(C(=O)NCCC[N@H+]2CCCN(C)CC2)c1[N+](=O)[O-] ZINC000614456932 676175936 /nfs/dbraw/zinc/17/59/36/676175936.db2.gz DLLYUNQUUKNBKS-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000546731645 673814021 /nfs/dbraw/zinc/81/40/21/673814021.db2.gz VZEMGNDBWIVBMN-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000601315027 673841507 /nfs/dbraw/zinc/84/15/07/673841507.db2.gz UVMMQQRJVCKIHG-UHFFFAOYSA-N 1 1 355.460 2.229 20 5 FEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000601439114 673862523 /nfs/dbraw/zinc/86/25/23/673862523.db2.gz BZBKSAHTJQYMSO-LLVKDONJSA-N 1 1 361.851 2.353 20 5 FEBDMO COCCc1ncc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000602474759 673906616 /nfs/dbraw/zinc/90/66/16/673906616.db2.gz RQMBGUNQKITNIP-LBPRGKRZSA-N 1 1 363.443 2.322 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614932378 676197309 /nfs/dbraw/zinc/19/73/09/676197309.db2.gz IBPSLEXXQOJPCE-UHFFFAOYSA-N 1 1 350.419 2.132 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614932378 676197311 /nfs/dbraw/zinc/19/73/11/676197311.db2.gz IBPSLEXXQOJPCE-UHFFFAOYSA-N 1 1 350.419 2.132 20 5 FEBDMO Cn1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c([N+](=O)[O-])n1 ZINC000602589333 673908322 /nfs/dbraw/zinc/90/83/22/673908322.db2.gz UPMUFDNNAQBGAM-UHFFFAOYSA-N 1 1 358.324 2.381 20 5 FEBDMO O=C1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CN1C1CC1 ZINC000602588009 673908435 /nfs/dbraw/zinc/90/84/35/673908435.db2.gz LKKSWCJQTHYBIQ-ZETCQYMHSA-N 1 1 360.233 2.272 20 5 FEBDMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819383014 675286966 /nfs/dbraw/zinc/28/69/66/675286966.db2.gz HKDWIBQHEMUTDS-JOYOIKCWSA-N 1 1 351.384 2.222 20 5 FEBDMO Nc1ccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000824002958 675579407 /nfs/dbraw/zinc/57/94/07/675579407.db2.gz KCAPKSKRZCORSJ-UHFFFAOYSA-N 1 1 361.427 2.418 20 5 FEBDMO Nc1ccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000824002958 675579409 /nfs/dbraw/zinc/57/94/09/675579409.db2.gz KCAPKSKRZCORSJ-UHFFFAOYSA-N 1 1 361.427 2.418 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604505413 675805732 /nfs/dbraw/zinc/80/57/32/675805732.db2.gz ZGHAHPYHRIGYGG-CMPLNLGQSA-N 1 1 353.806 2.368 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000828337801 675814055 /nfs/dbraw/zinc/81/40/55/675814055.db2.gz BNXBCKOVNYSINX-ZJUUUORDSA-N 1 1 368.821 2.371 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000828337801 675814058 /nfs/dbraw/zinc/81/40/58/675814058.db2.gz BNXBCKOVNYSINX-ZJUUUORDSA-N 1 1 368.821 2.371 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@H]21 ZINC000828512533 675826612 /nfs/dbraw/zinc/82/66/12/675826612.db2.gz WBOBMOGXXPENEV-GZMMTYOYSA-N 1 1 356.785 2.136 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000829493533 675880944 /nfs/dbraw/zinc/88/09/44/675880944.db2.gz XBBNFDLMLLCBES-UHFFFAOYSA-N 1 1 351.407 2.331 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@@H]1C ZINC000619486217 676380343 /nfs/dbraw/zinc/38/03/43/676380343.db2.gz ZJAQNNQNPCQSQZ-STQMWFEESA-N 1 1 371.459 2.097 20 5 FEBDMO CCOC(=O)CC(C)(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000838790874 680719665 /nfs/dbraw/zinc/71/96/65/680719665.db2.gz KMBFVRICJWUAMA-UHFFFAOYSA-N 1 1 350.419 2.091 20 5 FEBDMO CON1CCC([N@@H+](C)CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000839617705 680767052 /nfs/dbraw/zinc/76/70/52/680767052.db2.gz ARGKGPBGDMMXCQ-UHFFFAOYSA-N 1 1 356.810 2.144 20 5 FEBDMO C[N@@H+](C[C@H](O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CC1 ZINC000839653685 680769289 /nfs/dbraw/zinc/76/92/89/680769289.db2.gz BZKKIOBWAWVGFN-YGRLFVJLSA-N 1 1 365.327 2.382 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000839715273 680774015 /nfs/dbraw/zinc/77/40/15/680774015.db2.gz CMRPXGYYGDHIFQ-RBDSIQFVSA-N 1 1 355.797 2.253 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NCCC[NH+]2CCOCC2)cc1Cl ZINC000765448469 680842564 /nfs/dbraw/zinc/84/25/64/680842564.db2.gz GOSASWKBUKZIAT-UHFFFAOYSA-N 1 1 357.794 2.169 20 5 FEBDMO CCCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[N@@H+](C)C1 ZINC000832742583 680171411 /nfs/dbraw/zinc/17/14/11/680171411.db2.gz KPOPMZVSDFXYOQ-LBPRGKRZSA-N 1 1 368.821 2.129 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC1(C)C ZINC000832756394 680173125 /nfs/dbraw/zinc/17/31/25/680173125.db2.gz NIUXSWBWYMVCQZ-UHFFFAOYSA-N 1 1 359.423 2.195 20 5 FEBDMO Cc1ccc([C@H](C)NC(=S)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000751916075 680209425 /nfs/dbraw/zinc/20/94/25/680209425.db2.gz YLRLFRMXZNXHIR-AWEZNQCLSA-N 1 1 366.487 2.151 20 5 FEBDMO Cc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429722 680332435 /nfs/dbraw/zinc/33/24/35/680332435.db2.gz UTHNITLTXSSEIM-HZPDHXFCSA-N 1 1 351.834 2.394 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000996429752 680332445 /nfs/dbraw/zinc/33/24/45/680332445.db2.gz WCCGSGJZFZAVHW-UKRRQHHQSA-N 1 1 355.797 2.225 20 5 FEBDMO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C2(CCCCC2)C1 ZINC000756181117 680465110 /nfs/dbraw/zinc/46/51/10/680465110.db2.gz NRPGNGCTCLKECX-UHFFFAOYSA-N 1 1 371.434 2.373 20 5 FEBDMO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C2(CCCCC2)C1 ZINC000756181117 680465111 /nfs/dbraw/zinc/46/51/11/680465111.db2.gz NRPGNGCTCLKECX-UHFFFAOYSA-N 1 1 371.434 2.373 20 5 FEBDMO C[N@H+](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCSC1 ZINC000767117919 680899935 /nfs/dbraw/zinc/89/99/35/680899935.db2.gz URASTKJOSFFUQU-NSHDSACASA-N 1 1 351.384 2.217 20 5 FEBDMO C[N@@H+](CC(=O)OCc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCSC1 ZINC000767117919 680899938 /nfs/dbraw/zinc/89/99/38/680899938.db2.gz URASTKJOSFFUQU-NSHDSACASA-N 1 1 351.384 2.217 20 5 FEBDMO O=C(OC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842304767 680937666 /nfs/dbraw/zinc/93/76/66/680937666.db2.gz LIXNATPRCDRXOF-DJSGYFEHSA-N 1 1 354.353 2.385 20 5 FEBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000768865800 680962454 /nfs/dbraw/zinc/96/24/54/680962454.db2.gz OMOPGLULKPHPMD-ZFWWWQNUSA-N 1 1 367.452 2.380 20 5 FEBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000768865800 680962456 /nfs/dbraw/zinc/96/24/56/680962456.db2.gz OMOPGLULKPHPMD-ZFWWWQNUSA-N 1 1 367.452 2.380 20 5 FEBDMO Cc1c(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844640983 681069636 /nfs/dbraw/zinc/06/96/36/681069636.db2.gz MMUUBEXGQFOWJN-JLLWLGSASA-N 1 1 350.375 2.365 20 5 FEBDMO Cc1c(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844640982 681069663 /nfs/dbraw/zinc/06/96/63/681069663.db2.gz MMUUBEXGQFOWJN-ADEWGFFLSA-N 1 1 350.375 2.365 20 5 FEBDMO CC[C@@H](CSC)[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000773260621 681133355 /nfs/dbraw/zinc/13/33/55/681133355.db2.gz YMTMLUXJEAHQOC-LBPRGKRZSA-N 1 1 366.443 2.394 20 5 FEBDMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000846015217 681173378 /nfs/dbraw/zinc/17/33/78/681173378.db2.gz YQDYDFFNIGJICS-UHFFFAOYSA-N 1 1 370.837 2.281 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C[C@@H]1C ZINC000848734439 681612232 /nfs/dbraw/zinc/61/22/32/681612232.db2.gz CTLJDUFRQFCLAK-OKILXGFUSA-N 1 1 352.435 2.322 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000779872333 681762891 /nfs/dbraw/zinc/76/28/91/681762891.db2.gz AUGIMJHGODDDGE-VXGBXAGGSA-N 1 1 373.862 2.462 20 5 FEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000913536727 685479519 /nfs/dbraw/zinc/47/95/19/685479519.db2.gz KACBLNOISQGPFB-PHIMTYICSA-N 1 1 354.204 2.276 20 5 FEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000913536727 685479520 /nfs/dbraw/zinc/47/95/20/685479520.db2.gz KACBLNOISQGPFB-PHIMTYICSA-N 1 1 354.204 2.276 20 5 FEBDMO CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000783598555 682157869 /nfs/dbraw/zinc/15/78/69/682157869.db2.gz IRFYQRBETUPBLX-UHFFFAOYSA-N 1 1 369.830 2.446 20 5 FEBDMO O=C(CC[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852345921 682264757 /nfs/dbraw/zinc/26/47/57/682264757.db2.gz OSHCCWKOCYRQMA-MBNYWOFBSA-N 1 1 351.378 2.155 20 5 FEBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)CC1 ZINC000854571906 682566547 /nfs/dbraw/zinc/56/65/47/682566547.db2.gz ZPKGKYOOERYTLC-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000854954556 682614168 /nfs/dbraw/zinc/61/41/68/682614168.db2.gz FTCVDCNLOXGPSQ-NWDGAFQWSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000854954556 682614171 /nfs/dbraw/zinc/61/41/71/682614171.db2.gz FTCVDCNLOXGPSQ-NWDGAFQWSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000855163116 682634366 /nfs/dbraw/zinc/63/43/66/682634366.db2.gz SPHIJWAOOYVVGF-GFCCVEGCSA-N 1 1 350.375 2.414 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1F ZINC000790451439 682678563 /nfs/dbraw/zinc/67/85/63/682678563.db2.gz RUDJXDZAAARQNU-CQSZACIVSA-N 1 1 373.450 2.441 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1Cl ZINC000856254412 682758407 /nfs/dbraw/zinc/75/84/07/682758407.db2.gz BNAVEGGKDRMGKH-ZDUSSCGKSA-N 1 1 367.833 2.228 20 5 FEBDMO CC1(C)CN(c2cccc(Br)c2[N+](=O)[O-])CC[N@H+]1CCO ZINC000856744247 682803210 /nfs/dbraw/zinc/80/32/10/682803210.db2.gz KXOVSXBRYMOEIF-UHFFFAOYSA-N 1 1 358.236 2.250 20 5 FEBDMO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000796571716 683173026 /nfs/dbraw/zinc/17/30/26/683173026.db2.gz WHYHQHPTPXXPMB-CQSZACIVSA-N 1 1 353.423 2.124 20 5 FEBDMO C[C@H](C[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860097969 683201712 /nfs/dbraw/zinc/20/17/12/683201712.db2.gz XFAMFPGCJCKJHL-IUODEOHRSA-N 1 1 353.419 2.473 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000919853941 683304029 /nfs/dbraw/zinc/30/40/29/683304029.db2.gz QAAFAIIHJAZNMB-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928093756 683383276 /nfs/dbraw/zinc/38/32/76/683383276.db2.gz NNHJSTCXBSVQOR-HIFRSBDPSA-N 1 1 365.455 2.060 20 5 FEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000928097958 683387423 /nfs/dbraw/zinc/38/74/23/683387423.db2.gz XKETVFLPBJMHFB-KGLIPLIRSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1cc(F)cc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000928097958 683387432 /nfs/dbraw/zinc/38/74/32/683387432.db2.gz XKETVFLPBJMHFB-KGLIPLIRSA-N 1 1 353.419 2.352 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928098055 683388740 /nfs/dbraw/zinc/38/87/40/683388740.db2.gz GRAAZIBMQZAMEK-LSDHHAIUSA-N 1 1 367.496 2.383 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928098055 683388745 /nfs/dbraw/zinc/38/87/45/683388745.db2.gz GRAAZIBMQZAMEK-LSDHHAIUSA-N 1 1 367.496 2.383 20 5 FEBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929212165 683562923 /nfs/dbraw/zinc/56/29/23/683562923.db2.gz NWNONXWUBPYVDR-KGLIPLIRSA-N 1 1 368.821 2.311 20 5 FEBDMO Cc1c(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cccc1[N+](=O)[O-] ZINC000922168237 683672818 /nfs/dbraw/zinc/67/28/18/683672818.db2.gz MPRNCZMJSLXGFD-GDBMZVCRSA-N 1 1 364.471 2.282 20 5 FEBDMO C[C@@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000866098311 684071830 /nfs/dbraw/zinc/07/18/30/684071830.db2.gz RQILJWXBARYGLO-SNVBAGLBSA-N 1 1 356.220 2.062 20 5 FEBDMO C[C@@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000866098311 684071834 /nfs/dbraw/zinc/07/18/34/684071834.db2.gz RQILJWXBARYGLO-SNVBAGLBSA-N 1 1 356.220 2.062 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000923889778 684362160 /nfs/dbraw/zinc/36/21/60/684362160.db2.gz BBQVKJAKUMPQNY-OAHLLOKOSA-N 1 1 350.371 2.297 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC000923889778 684362167 /nfs/dbraw/zinc/36/21/67/684362167.db2.gz BBQVKJAKUMPQNY-OAHLLOKOSA-N 1 1 350.371 2.297 20 5 FEBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCC[N@@H+]1CC=CCC1 ZINC000867921282 684426488 /nfs/dbraw/zinc/42/64/88/684426488.db2.gz IPOJJSQCVKYGMR-UHFFFAOYSA-N 1 1 368.231 2.278 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[S@@](=O)CC(F)(F)F)nc2c1 ZINC000877623153 686424423 /nfs/dbraw/zinc/42/44/23/686424423.db2.gz YENVBTBAWYFDCN-HSZRJFAPSA-N 1 1 351.306 2.137 20 5 FEBDMO CCOC(=O)[C@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000879368720 686806391 /nfs/dbraw/zinc/80/63/91/686806391.db2.gz SDJTYNIRXUFRLV-ZIAGYGMSSA-N 1 1 358.341 2.149 20 5 FEBDMO CCOC(=O)[C@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000879368720 686806392 /nfs/dbraw/zinc/80/63/92/686806392.db2.gz SDJTYNIRXUFRLV-ZIAGYGMSSA-N 1 1 358.341 2.149 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC000879565650 686858559 /nfs/dbraw/zinc/85/85/59/686858559.db2.gz PNUAFXJQQMVYHO-STQMWFEESA-N 1 1 356.469 2.053 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC000879565650 686858567 /nfs/dbraw/zinc/85/85/67/686858567.db2.gz PNUAFXJQQMVYHO-STQMWFEESA-N 1 1 356.469 2.053 20 5 FEBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CCOCC1 ZINC000879706242 686891959 /nfs/dbraw/zinc/89/19/59/686891959.db2.gz MGEBOYSPAYORCE-UHFFFAOYSA-N 1 1 352.387 2.089 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133975 687004125 /nfs/dbraw/zinc/00/41/25/687004125.db2.gz KJQFZGRDYTWYHA-KGLIPLIRSA-N 1 1 352.822 2.355 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000881784898 687215082 /nfs/dbraw/zinc/21/50/82/687215082.db2.gz QDBCCONFZCNNQQ-LLVKDONJSA-N 1 1 373.862 2.319 20 5 FEBDMO C[NH+]1CCN(CC2CN(c3cccc(C(F)(F)F)c3[N+](=O)[O-])C2)CC1 ZINC000884547461 687889046 /nfs/dbraw/zinc/88/90/46/687889046.db2.gz MCGMFXVIEDUOCD-UHFFFAOYSA-N 1 1 358.364 2.297 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1SC ZINC000887933218 688522883 /nfs/dbraw/zinc/52/28/83/688522883.db2.gz IBRSCWHSCNSSOS-APPDUMDISA-N 1 1 365.455 2.349 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000888279315 688576446 /nfs/dbraw/zinc/57/64/46/688576446.db2.gz ATOUCABCWXRCBA-VXGBXAGGSA-N 1 1 370.837 2.475 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000888279315 688576448 /nfs/dbraw/zinc/57/64/48/688576448.db2.gz ATOUCABCWXRCBA-VXGBXAGGSA-N 1 1 370.837 2.475 20 5 FEBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896526368 689885247 /nfs/dbraw/zinc/88/52/47/689885247.db2.gz WKFVSCZWDROEMS-SNVBAGLBSA-N 1 1 363.340 2.012 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(C(F)(F)F)c1 ZINC000897218243 689989606 /nfs/dbraw/zinc/98/96/06/689989606.db2.gz BPFFYISQCWYHAQ-OLZOCXBDSA-N 1 1 360.336 2.044 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)o2)c1 ZINC000897618219 690050187 /nfs/dbraw/zinc/05/01/87/690050187.db2.gz BEQVEUUKQJPMLW-OKILXGFUSA-N 1 1 362.407 2.331 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)o2)c1 ZINC000897618219 690050191 /nfs/dbraw/zinc/05/01/91/690050191.db2.gz BEQVEUUKQJPMLW-OKILXGFUSA-N 1 1 362.407 2.331 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000902980865 690826767 /nfs/dbraw/zinc/82/67/67/690826767.db2.gz VNMQYEHJUWBEFT-ZDUSSCGKSA-N 1 1 352.366 2.109 20 5 FEBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000906201358 691241729 /nfs/dbraw/zinc/24/17/29/691241729.db2.gz PDDBWPDCNHGOCP-TZMCWYRMSA-N 1 1 357.382 2.183 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000906201358 691241731 /nfs/dbraw/zinc/24/17/31/691241731.db2.gz PDDBWPDCNHGOCP-TZMCWYRMSA-N 1 1 357.382 2.183 20 5 FEBDMO C[C@@H](CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000906763004 691312075 /nfs/dbraw/zinc/31/20/75/691312075.db2.gz JMWGOJNKNRCVIF-ZDUSSCGKSA-N 1 1 369.849 2.265 20 5 FEBDMO C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000907071221 691386780 /nfs/dbraw/zinc/38/67/80/691386780.db2.gz OXTWZVCQHDJKAX-XHDPSFHLSA-N 1 1 355.822 2.016 20 5 FEBDMO C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000907071221 691386783 /nfs/dbraw/zinc/38/67/83/691386783.db2.gz OXTWZVCQHDJKAX-XHDPSFHLSA-N 1 1 355.822 2.016 20 5 FEBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908261652 691646890 /nfs/dbraw/zinc/64/68/90/691646890.db2.gz LJDCXPOLQYLDPO-LBPRGKRZSA-N 1 1 351.403 2.215 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164927597 721858721 /nfs/dbraw/zinc/85/87/21/721858721.db2.gz LNUSJQTVQYUVSL-UONOGXRCSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164927597 721858724 /nfs/dbraw/zinc/85/87/24/721858724.db2.gz LNUSJQTVQYUVSL-UONOGXRCSA-N 1 1 353.854 2.166 20 5 FEBDMO CC(C)[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)[NH+]1CCOCC1 ZINC000486441552 854535384 /nfs/dbraw/zinc/53/53/84/854535384.db2.gz JACQOMSGYZWTGE-HNNXBMFYSA-N 1 1 361.402 2.414 20 5 FEBDMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000014194805 539598380 /nfs/dbraw/zinc/59/83/80/539598380.db2.gz SBYQRRNGDDKEHC-UHFFFAOYSA-N 1 1 354.410 2.351 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000041651455 540029138 /nfs/dbraw/zinc/02/91/38/540029138.db2.gz RVGUJJVWMJRMLO-JSGCOSHPSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000041651437 540029443 /nfs/dbraw/zinc/02/94/43/540029443.db2.gz JUHDRTIKAOMDCG-GXTWGEPZSA-N 1 1 362.430 2.078 20 5 FEBDMO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000042685467 540073937 /nfs/dbraw/zinc/07/39/37/540073937.db2.gz WDCZBPMPEWLLRD-ZDUSSCGKSA-N 1 1 362.430 2.160 20 5 FEBDMO CC(C)C[C@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000045492178 540214950 /nfs/dbraw/zinc/21/49/50/540214950.db2.gz ARHJAFICAZBJRR-MRXNPFEDSA-N 1 1 364.446 2.141 20 5 FEBDMO CC(C)[C@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000045487253 540215014 /nfs/dbraw/zinc/21/50/14/540215014.db2.gz NJXZLQMANHLOIT-KRWDZBQOSA-N 1 1 364.446 2.093 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000046980742 540281595 /nfs/dbraw/zinc/28/15/95/540281595.db2.gz OUOIPMZDDZZYLU-HNNXBMFYSA-N 1 1 371.441 2.340 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000054620789 540598808 /nfs/dbraw/zinc/59/88/08/540598808.db2.gz JRQWGZILBPSZRY-LBPRGKRZSA-N 1 1 374.397 2.343 20 5 FEBDMO C[C@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000057702321 540808909 /nfs/dbraw/zinc/80/89/09/540808909.db2.gz JDCAANZHENSNLX-GFCCVEGCSA-N 1 1 357.414 2.208 20 5 FEBDMO COc1cc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000057713891 540810474 /nfs/dbraw/zinc/81/04/74/540810474.db2.gz GZKNPMOORPRTFD-SECBINFHSA-N 1 1 373.356 2.417 20 5 FEBDMO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000058231037 540835109 /nfs/dbraw/zinc/83/51/09/540835109.db2.gz XKOBTQQEWQWGMW-ZIAGYGMSSA-N 1 1 372.429 2.168 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000060089891 540868391 /nfs/dbraw/zinc/86/83/91/540868391.db2.gz AHVJOVQZSKUGLO-UHFFFAOYSA-N 1 1 350.419 2.032 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000060548789 541117122 /nfs/dbraw/zinc/11/71/22/541117122.db2.gz UGNMOBLVFNCODM-QGZVFWFLSA-N 1 1 368.393 2.297 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000060548789 541117124 /nfs/dbraw/zinc/11/71/24/541117124.db2.gz UGNMOBLVFNCODM-QGZVFWFLSA-N 1 1 368.393 2.297 20 5 FEBDMO O=C(c1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000066745783 541368376 /nfs/dbraw/zinc/36/83/76/541368376.db2.gz SAVTVTQTJMAYIM-INIZCTEOSA-N 1 1 374.441 2.106 20 5 FEBDMO O=C(c1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000066745783 541368380 /nfs/dbraw/zinc/36/83/80/541368380.db2.gz SAVTVTQTJMAYIM-INIZCTEOSA-N 1 1 374.441 2.106 20 5 FEBDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000067244599 541435812 /nfs/dbraw/zinc/43/58/12/541435812.db2.gz OUDMJVLMIIWKQZ-HNNXBMFYSA-N 1 1 361.423 2.276 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068211438 541563518 /nfs/dbraw/zinc/56/35/18/541563518.db2.gz PSTNWNBKTWHFDM-GRYCIOLGSA-N 1 1 352.410 2.412 20 5 FEBDMO Cc1ccc(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cc1[N+](=O)[O-] ZINC000068317534 541576195 /nfs/dbraw/zinc/57/61/95/541576195.db2.gz KRTKXHIXOBYKRE-UHFFFAOYSA-N 1 1 355.398 2.302 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000069139338 541661791 /nfs/dbraw/zinc/66/17/91/541661791.db2.gz WZFGIWNVDOZBIS-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO CNC(=O)c1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665164 541847296 /nfs/dbraw/zinc/84/72/96/541847296.db2.gz BOXUVDARVCWMMD-HNNXBMFYSA-N 1 1 355.398 2.036 20 5 FEBDMO CN1CC[NH+](CCCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000073002445 541907251 /nfs/dbraw/zinc/90/72/51/541907251.db2.gz ZUWOLTNRQMVREC-UHFFFAOYSA-N 1 1 362.455 2.177 20 5 FEBDMO C[C@H]1SCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000075749165 542202905 /nfs/dbraw/zinc/20/29/05/542202905.db2.gz AIUQNMWDVLXJOP-XOKHGSTOSA-N 1 1 362.455 2.331 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000075721183 542201385 /nfs/dbraw/zinc/20/13/85/542201385.db2.gz BMSVIWQSRSJZCM-LJQANCHMSA-N 1 1 374.441 2.081 20 5 FEBDMO CCO[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076403921 542275242 /nfs/dbraw/zinc/27/52/42/542275242.db2.gz MGTZWUPXPFPDLP-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)C1 ZINC000076484278 542284223 /nfs/dbraw/zinc/28/42/23/542284223.db2.gz BYWXTIWTSYDTDN-IUODEOHRSA-N 1 1 363.414 2.168 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)CC2)C1 ZINC000078262987 542450979 /nfs/dbraw/zinc/45/09/79/542450979.db2.gz OBBSLJWOCVDGNQ-CQSZACIVSA-N 1 1 370.400 2.412 20 5 FEBDMO COc1cc(C[N@@H+]2CCCN(c3ncccn3)CC2)c([N+](=O)[O-])cc1OC ZINC000093056535 542906147 /nfs/dbraw/zinc/90/61/47/542906147.db2.gz GYNGNOJFUATDDU-UHFFFAOYSA-N 1 1 373.413 2.114 20 5 FEBDMO COc1cc(C[N@H+]2CCCN(c3ncccn3)CC2)c([N+](=O)[O-])cc1OC ZINC000093056535 542906149 /nfs/dbraw/zinc/90/61/49/542906149.db2.gz GYNGNOJFUATDDU-UHFFFAOYSA-N 1 1 373.413 2.114 20 5 FEBDMO COc1ccc(-c2ccc(C[N@@H+](C)CC(C)(CO)CO)o2)c([N+](=O)[O-])c1 ZINC000093502728 542931900 /nfs/dbraw/zinc/93/19/00/542931900.db2.gz OHIDNJPQFSTXNE-UHFFFAOYSA-N 1 1 364.398 2.286 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000106891518 543252982 /nfs/dbraw/zinc/25/29/82/543252982.db2.gz CBBYUTQGTYXSDQ-CYBMUJFWSA-N 1 1 353.444 2.198 20 5 FEBDMO CCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)N(C)C ZINC000109103576 543313993 /nfs/dbraw/zinc/31/39/93/543313993.db2.gz DPBJBJDOVLKPII-UHFFFAOYSA-N 1 1 350.419 2.032 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000109108183 543314053 /nfs/dbraw/zinc/31/40/53/543314053.db2.gz FSWOEFQWGDEJEC-OAHLLOKOSA-N 1 1 363.462 2.411 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CCCC[C@H]3C[NH+]3CCOCC3)cc2N1 ZINC000110594070 543362294 /nfs/dbraw/zinc/36/22/94/543362294.db2.gz RZYWJDXYQMDRHT-HNNXBMFYSA-N 1 1 374.441 2.171 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000110994976 543378217 /nfs/dbraw/zinc/37/82/17/543378217.db2.gz SKPOIKNLLYFRCO-INIZCTEOSA-N 1 1 372.429 2.088 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111292372 543393000 /nfs/dbraw/zinc/39/30/00/543393000.db2.gz WINOFJAFWBJZCI-INIZCTEOSA-N 1 1 374.441 2.319 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000112922020 543468456 /nfs/dbraw/zinc/46/84/56/543468456.db2.gz CLPAVSMEAGEFQL-CYBMUJFWSA-N 1 1 368.865 2.252 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000112921597 543468590 /nfs/dbraw/zinc/46/85/90/543468590.db2.gz MDCKUJFQEIJQNH-UHFFFAOYSA-N 1 1 368.865 2.346 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000112921597 543468592 /nfs/dbraw/zinc/46/85/92/543468592.db2.gz MDCKUJFQEIJQNH-UHFFFAOYSA-N 1 1 368.865 2.346 20 5 FEBDMO COC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112991300 543471945 /nfs/dbraw/zinc/47/19/45/543471945.db2.gz UCIWNATYFYYLMP-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112991300 543471951 /nfs/dbraw/zinc/47/19/51/543471951.db2.gz UCIWNATYFYYLMP-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO CC(C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000117590518 543636113 /nfs/dbraw/zinc/63/61/13/543636113.db2.gz BMGLODYXLLYKLL-MRXNPFEDSA-N 1 1 369.849 2.264 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000121782516 543699352 /nfs/dbraw/zinc/69/93/52/543699352.db2.gz PTIVIUYQKXQMCI-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000123791378 543783489 /nfs/dbraw/zinc/78/34/89/543783489.db2.gz LRASCVSPZHMPLA-GDBMZVCRSA-N 1 1 371.441 2.453 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)[nH+]c1 ZINC000124211135 543807403 /nfs/dbraw/zinc/80/74/03/543807403.db2.gz YQMIHVGBIQXKAX-UHFFFAOYSA-N 1 1 373.388 2.418 20 5 FEBDMO CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000125514089 543886727 /nfs/dbraw/zinc/88/67/27/543886727.db2.gz CVRVQJTZZPBBSP-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO CCCNC(=O)C1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000125396511 543879370 /nfs/dbraw/zinc/87/93/70/543879370.db2.gz HLFPXJJFRIZLER-UHFFFAOYSA-N 1 1 365.430 2.350 20 5 FEBDMO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000128563866 544059818 /nfs/dbraw/zinc/05/98/18/544059818.db2.gz MGBHWZISWWELOZ-UHFFFAOYSA-N 1 1 367.402 2.274 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000131679150 544201771 /nfs/dbraw/zinc/20/17/71/544201771.db2.gz HTIDBMSTEUPPFU-ZDUSSCGKSA-N 1 1 355.822 2.215 20 5 FEBDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000133753323 544281973 /nfs/dbraw/zinc/28/19/73/544281973.db2.gz WCBSDLJVLYZFRS-UHFFFAOYSA-N 1 1 368.437 2.489 20 5 FEBDMO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452957 544347358 /nfs/dbraw/zinc/34/73/58/544347358.db2.gz WIDZTIIFAUBGKF-CVEARBPZSA-N 1 1 358.398 2.070 20 5 FEBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CN1CC[NH+](C)CC1 ZINC000139814014 544405271 /nfs/dbraw/zinc/40/52/71/544405271.db2.gz YMLFFSUCVWQBII-LBPRGKRZSA-N 1 1 369.853 2.253 20 5 FEBDMO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[N@H+](C2CC2)CC1 ZINC000148949555 544453730 /nfs/dbraw/zinc/45/37/30/544453730.db2.gz DQYBYIKANAQTHK-UHFFFAOYSA-N 1 1 355.398 2.091 20 5 FEBDMO Cc1ccc(C[NH+]2CCC(CNC(=O)c3n[nH]cc3[N+](=O)[O-])CC2)cc1 ZINC000153343198 544763564 /nfs/dbraw/zinc/76/35/64/544763564.db2.gz SATPZZQQOHZLND-UHFFFAOYSA-N 1 1 357.414 2.268 20 5 FEBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153615787 544798451 /nfs/dbraw/zinc/79/84/51/544798451.db2.gz LGNMSZVURGRBCK-HUUCEWRRSA-N 1 1 350.463 2.280 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000154054384 544858871 /nfs/dbraw/zinc/85/88/71/544858871.db2.gz BOGVEPZEMSYKBU-INIZCTEOSA-N 1 1 363.414 2.184 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000154054384 544858876 /nfs/dbraw/zinc/85/88/76/544858876.db2.gz BOGVEPZEMSYKBU-INIZCTEOSA-N 1 1 363.414 2.184 20 5 FEBDMO CCc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc(C)[nH+]1 ZINC000552934878 674230418 /nfs/dbraw/zinc/23/04/18/674230418.db2.gz RBCGXDBLHPULLI-UHFFFAOYSA-N 1 1 361.427 2.280 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000180084472 327670525 /nfs/dbraw/zinc/67/05/25/327670525.db2.gz ODPQDCDHYVWIHU-UHFFFAOYSA-N 1 1 370.406 2.306 20 5 FEBDMO COc1cc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000180327997 327681404 /nfs/dbraw/zinc/68/14/04/327681404.db2.gz GYXFRVSAGVUKNN-UHFFFAOYSA-N 1 1 365.430 2.302 20 5 FEBDMO COC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184772784 327882860 /nfs/dbraw/zinc/88/28/60/327882860.db2.gz QAEHYGWZBUSBPB-KGLIPLIRSA-N 1 1 350.371 2.213 20 5 FEBDMO CCC[C@@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000187298144 328014387 /nfs/dbraw/zinc/01/43/87/328014387.db2.gz LDIVERKTEHIGPT-SFHVURJKSA-N 1 1 362.430 2.222 20 5 FEBDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000187298144 328014388 /nfs/dbraw/zinc/01/43/88/328014388.db2.gz LDIVERKTEHIGPT-SFHVURJKSA-N 1 1 362.430 2.222 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188622353 328099384 /nfs/dbraw/zinc/09/93/84/328099384.db2.gz KIYZGCYCEGVOTH-AWEZNQCLSA-N 1 1 363.458 2.437 20 5 FEBDMO O=C(CCN1CCC[N@H+](C2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000188911419 328117510 /nfs/dbraw/zinc/11/75/10/328117510.db2.gz WHOGNRVRJGONHT-UHFFFAOYSA-N 1 1 350.394 2.233 20 5 FEBDMO O=C(CC[N@@H+]1CCCN(C2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000188911419 328117511 /nfs/dbraw/zinc/11/75/11/328117511.db2.gz WHOGNRVRJGONHT-UHFFFAOYSA-N 1 1 350.394 2.233 20 5 FEBDMO O=C(CC[N@H+]1CCCN(C2CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000188911419 328117512 /nfs/dbraw/zinc/11/75/12/328117512.db2.gz WHOGNRVRJGONHT-UHFFFAOYSA-N 1 1 350.394 2.233 20 5 FEBDMO CCOCCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190293288 328198740 /nfs/dbraw/zinc/19/87/40/328198740.db2.gz ROYHTUMEJRFQTD-AWEZNQCLSA-N 1 1 353.419 2.215 20 5 FEBDMO CCOCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190293288 328198741 /nfs/dbraw/zinc/19/87/41/328198741.db2.gz ROYHTUMEJRFQTD-AWEZNQCLSA-N 1 1 353.419 2.215 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000191348543 328261458 /nfs/dbraw/zinc/26/14/58/328261458.db2.gz JXONXPWWPUBYIC-GOSISDBHSA-N 1 1 361.442 2.294 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000076467828 324945215 /nfs/dbraw/zinc/94/52/15/324945215.db2.gz DPGXDAAKYXNHSY-GFCCVEGCSA-N 1 1 353.806 2.043 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078351263 325043272 /nfs/dbraw/zinc/04/32/72/325043272.db2.gz FTBGEOWSNXVDCZ-AWEZNQCLSA-N 1 1 355.460 2.279 20 5 FEBDMO C[C@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000080147869 325120110 /nfs/dbraw/zinc/12/01/10/325120110.db2.gz PUVOPXIXDHNKMS-CQSZACIVSA-N 1 1 364.446 2.097 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000090550880 325362564 /nfs/dbraw/zinc/36/25/64/325362564.db2.gz OBXAVXZKZURNRW-KRWDZBQOSA-N 1 1 357.410 2.295 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000111831389 325738243 /nfs/dbraw/zinc/73/82/43/325738243.db2.gz TWGVYJZJRCMEDV-AWEZNQCLSA-N 1 1 350.419 2.020 20 5 FEBDMO COCCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000116884819 326039939 /nfs/dbraw/zinc/03/99/39/326039939.db2.gz QROXIXIPOPMXSN-ZDUSSCGKSA-N 1 1 351.403 2.049 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000118842767 326107941 /nfs/dbraw/zinc/10/79/41/326107941.db2.gz CEBJQYSQTMKQMT-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000118842767 326107943 /nfs/dbraw/zinc/10/79/43/326107943.db2.gz CEBJQYSQTMKQMT-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000119852470 326205527 /nfs/dbraw/zinc/20/55/27/326205527.db2.gz SKDOLHNTFJSKBI-IUODEOHRSA-N 1 1 362.430 2.030 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000120679598 326278154 /nfs/dbraw/zinc/27/81/54/326278154.db2.gz GDNDYMGDWZEINT-CMPLNLGQSA-N 1 1 368.821 2.128 20 5 FEBDMO COc1cc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000121912744 326375329 /nfs/dbraw/zinc/37/53/29/326375329.db2.gz CXYIIQKZZDQCCJ-UHFFFAOYSA-N 1 1 358.398 2.432 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000121970025 326378892 /nfs/dbraw/zinc/37/88/92/326378892.db2.gz GRBQEERAUDKRSA-ZBFHGGJFSA-N 1 1 374.441 2.093 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000134087260 326619498 /nfs/dbraw/zinc/61/94/98/326619498.db2.gz FKEXXTJACMFZOI-QGZVFWFLSA-N 1 1 363.439 2.317 20 5 FEBDMO Cc1c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164139957 327065019 /nfs/dbraw/zinc/06/50/19/327065019.db2.gz CFYAMMMPWUHJFW-WFASDCNBSA-N 1 1 362.386 2.368 20 5 FEBDMO COC(=O)[C@@H](C)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000171299942 327130527 /nfs/dbraw/zinc/13/05/27/327130527.db2.gz FMGIYGJCEPDDFM-NSHDSACASA-N 1 1 360.370 2.418 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000171299942 327130528 /nfs/dbraw/zinc/13/05/28/327130528.db2.gz FMGIYGJCEPDDFM-NSHDSACASA-N 1 1 360.370 2.418 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000172835739 327221638 /nfs/dbraw/zinc/22/16/38/327221638.db2.gz KNRXJWXMOAMBIY-CQSZACIVSA-N 1 1 372.429 2.122 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1 ZINC000173348717 327251145 /nfs/dbraw/zinc/25/11/45/327251145.db2.gz ATVNIGMLHXDZNO-UHFFFAOYSA-N 1 1 360.458 2.192 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173827591 327287154 /nfs/dbraw/zinc/28/71/54/327287154.db2.gz POTRJMKWTZFGRQ-CHWSQXEVSA-N 1 1 373.862 2.496 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173883006 327291263 /nfs/dbraw/zinc/29/12/63/327291263.db2.gz SOVQJEUUXUNSKJ-UONOGXRCSA-N 1 1 364.446 2.204 20 5 FEBDMO COC(=O)c1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000174172320 327310687 /nfs/dbraw/zinc/31/06/87/327310687.db2.gz FTYASHXMAGPLFW-GOOCMWNKSA-N 1 1 361.398 2.127 20 5 FEBDMO Cc1nn(C)c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000174955358 327363400 /nfs/dbraw/zinc/36/34/00/327363400.db2.gz ZCUNFIDQDZLNHM-INIZCTEOSA-N 1 1 371.441 2.231 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000175115420 327375136 /nfs/dbraw/zinc/37/51/36/327375136.db2.gz RGTNADHUIYQESY-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO CC[C@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000175279818 327383975 /nfs/dbraw/zinc/38/39/75/327383975.db2.gz IKQVSAVFXJFUAI-HIFRSBDPSA-N 1 1 350.419 2.212 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000247545881 549354453 /nfs/dbraw/zinc/35/44/53/549354453.db2.gz YILCWGZIQKIPKK-WFASDCNBSA-N 1 1 363.414 2.326 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000264583928 329037851 /nfs/dbraw/zinc/03/78/51/329037851.db2.gz WGZDVUSTTFDHSZ-GFCCVEGCSA-N 1 1 350.375 2.191 20 5 FEBDMO COC(=O)CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000265205507 329102077 /nfs/dbraw/zinc/10/20/77/329102077.db2.gz KPKMQSJCDINFBF-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO O=C(CN1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266925904 329273507 /nfs/dbraw/zinc/27/35/07/329273507.db2.gz NEVPMDRLWKPZPL-CQSZACIVSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266925904 329273509 /nfs/dbraw/zinc/27/35/09/329273509.db2.gz NEVPMDRLWKPZPL-CQSZACIVSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000266925904 329273511 /nfs/dbraw/zinc/27/35/11/329273511.db2.gz NEVPMDRLWKPZPL-CQSZACIVSA-N 1 1 355.398 2.087 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3ccc4ccccc4n3)CC2)n1 ZINC000267286458 329310575 /nfs/dbraw/zinc/31/05/75/329310575.db2.gz JDLFMKBSLUBZLA-UHFFFAOYSA-N 1 1 352.398 2.162 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000267615682 329343661 /nfs/dbraw/zinc/34/36/61/329343661.db2.gz XNZDKUSOHHVDGR-OLZOCXBDSA-N 1 1 351.378 2.198 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267988185 329374401 /nfs/dbraw/zinc/37/44/01/329374401.db2.gz ZUMCGQDALGCGSW-MRVPVSSYSA-N 1 1 360.183 2.178 20 5 FEBDMO COc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c([N+](=O)[O-])cc1F ZINC000268151990 329390754 /nfs/dbraw/zinc/39/07/54/329390754.db2.gz GNUJCIHFZVEBSZ-CQSZACIVSA-N 1 1 366.437 2.349 20 5 FEBDMO Cc1c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156092 329391333 /nfs/dbraw/zinc/39/13/33/329391333.db2.gz HDOIUUDXJNCSJY-XPTSAGLGSA-N 1 1 362.386 2.332 20 5 FEBDMO O=C(NCC1([NH+]2CCCCC2)CCOCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269168086 329492847 /nfs/dbraw/zinc/49/28/47/329492847.db2.gz GIQUKBGKFNSZFC-UHFFFAOYSA-N 1 1 363.414 2.065 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275135817 330014194 /nfs/dbraw/zinc/01/41/94/330014194.db2.gz SWGNLXRTXAWFTH-JTQLQIEISA-N 1 1 361.320 2.104 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000275782831 330088529 /nfs/dbraw/zinc/08/85/29/330088529.db2.gz JSOOWYUDRDUURH-CYBMUJFWSA-N 1 1 368.865 2.312 20 5 FEBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000276242411 330132950 /nfs/dbraw/zinc/13/29/50/330132950.db2.gz QQILLLKHVHWQLA-UHFFFAOYSA-N 1 1 360.439 2.239 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000276294230 330137994 /nfs/dbraw/zinc/13/79/94/330137994.db2.gz MFEQNOGVROBWCX-LLVKDONJSA-N 1 1 350.400 2.105 20 5 FEBDMO CN(C)C(=O)C[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276552851 330163994 /nfs/dbraw/zinc/16/39/94/330163994.db2.gz FMTNCKPQXZXIJC-UHFFFAOYSA-N 1 1 357.414 2.108 20 5 FEBDMO CC(C)c1ccc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281828445 330177778 /nfs/dbraw/zinc/17/77/78/330177778.db2.gz RSBPZAMINMXENV-UHFFFAOYSA-N 1 1 362.474 2.474 20 5 FEBDMO CN(C)c1ccc([N+](=O)[O-])c(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000155531789 545538516 /nfs/dbraw/zinc/53/85/16/545538516.db2.gz PWXIEAFLSSFUTB-GOSISDBHSA-N 1 1 371.437 2.459 20 5 FEBDMO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478010536 561158032 /nfs/dbraw/zinc/15/80/32/561158032.db2.gz PJWSGTKLSBTFIH-HUUCEWRRSA-N 1 1 350.419 2.235 20 5 FEBDMO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478010536 561158033 /nfs/dbraw/zinc/15/80/33/561158033.db2.gz PJWSGTKLSBTFIH-HUUCEWRRSA-N 1 1 350.419 2.235 20 5 FEBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000158662528 545881617 /nfs/dbraw/zinc/88/16/17/545881617.db2.gz BZTCFVVIWWLIRN-IEBWSBKVSA-N 1 1 369.421 2.208 20 5 FEBDMO CCC(CC)C[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000159282230 545939673 /nfs/dbraw/zinc/93/96/73/545939673.db2.gz OWWHOKAQBWRMSJ-UHFFFAOYSA-N 1 1 355.460 2.337 20 5 FEBDMO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000159455855 545954992 /nfs/dbraw/zinc/95/49/92/545954992.db2.gz NHZDCGUNQAXHGQ-MNOVXSKESA-N 1 1 364.427 2.358 20 5 FEBDMO C[C@@H](O)C[N@@H+](C)[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000159455855 545954997 /nfs/dbraw/zinc/95/49/97/545954997.db2.gz NHZDCGUNQAXHGQ-MNOVXSKESA-N 1 1 364.427 2.358 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000159654570 545970277 /nfs/dbraw/zinc/97/02/77/545970277.db2.gz CFADPZRDPCIKON-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(OC(F)F)cc1 ZINC000159697570 545974482 /nfs/dbraw/zinc/97/44/82/545974482.db2.gz QIACTNWXSVEWPG-UHFFFAOYSA-N 1 1 353.325 2.490 20 5 FEBDMO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@H+]1CCCC[C@H]1C ZINC000478583242 561170196 /nfs/dbraw/zinc/17/01/96/561170196.db2.gz GWLQCMAXZSSDMS-CHWSQXEVSA-N 1 1 363.414 2.359 20 5 FEBDMO COc1cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000160934342 546086538 /nfs/dbraw/zinc/08/65/38/546086538.db2.gz UCDLNONIZWEADW-UHFFFAOYSA-N 1 1 361.423 2.453 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000160934342 546086542 /nfs/dbraw/zinc/08/65/42/546086542.db2.gz UCDLNONIZWEADW-UHFFFAOYSA-N 1 1 361.423 2.453 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000175693687 546335050 /nfs/dbraw/zinc/33/50/50/546335050.db2.gz KEULAKDGLPBSMT-GFCCVEGCSA-N 1 1 354.370 2.163 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000175777825 546348487 /nfs/dbraw/zinc/34/84/87/546348487.db2.gz KSCZARVQNRREII-UHFFFAOYSA-N 1 1 363.462 2.158 20 5 FEBDMO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[N@H+]1CCc2ccccc2C1 ZINC000175934363 546375922 /nfs/dbraw/zinc/37/59/22/546375922.db2.gz OPEGJXPIOPLNAN-ZDUSSCGKSA-N 1 1 354.410 2.354 20 5 FEBDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000177739147 546677842 /nfs/dbraw/zinc/67/78/42/546677842.db2.gz HGEWRRHFWOFNOM-ARFHVFGLSA-N 1 1 354.451 2.068 20 5 FEBDMO COc1cc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000481703671 561238975 /nfs/dbraw/zinc/23/89/75/561238975.db2.gz LNHPFGIJPAKFAC-INIZCTEOSA-N 1 1 358.394 2.401 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000481727493 561239848 /nfs/dbraw/zinc/23/98/48/561239848.db2.gz VLCKCDXLPTVAOF-KGLIPLIRSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000481727493 561239849 /nfs/dbraw/zinc/23/98/49/561239849.db2.gz VLCKCDXLPTVAOF-KGLIPLIRSA-N 1 1 352.387 2.146 20 5 FEBDMO COc1cc(C[NH+]2CCC([C@H](C)NC(C)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000482506575 561255144 /nfs/dbraw/zinc/25/51/44/561255144.db2.gz ZTPONFXLUWPTLW-LBPRGKRZSA-N 1 1 365.430 2.349 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181478748 547321434 /nfs/dbraw/zinc/32/14/34/547321434.db2.gz BLWIBNRTBMCNRT-GUYCJALGSA-N 1 1 365.430 2.415 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181478748 547321435 /nfs/dbraw/zinc/32/14/35/547321435.db2.gz BLWIBNRTBMCNRT-GUYCJALGSA-N 1 1 365.430 2.415 20 5 FEBDMO CNC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000483403868 561276323 /nfs/dbraw/zinc/27/63/23/561276323.db2.gz IKTPKMZNHZMRCQ-OAHLLOKOSA-N 1 1 356.382 2.000 20 5 FEBDMO CS(=O)(=O)C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181785722 547380407 /nfs/dbraw/zinc/38/04/07/547380407.db2.gz BSNNIJVRXYEJEW-IRXDYDNUSA-N 1 1 364.423 2.004 20 5 FEBDMO Cn1cc(Cl)cc1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181996487 547419474 /nfs/dbraw/zinc/41/94/74/547419474.db2.gz OZTXVFWGJZYEPW-AWEZNQCLSA-N 1 1 353.806 2.458 20 5 FEBDMO C[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000182268720 547464610 /nfs/dbraw/zinc/46/46/10/547464610.db2.gz NCJQHAJSCSQYQG-HKUYNNGSSA-N 1 1 371.437 2.323 20 5 FEBDMO COCC[N@@H+](C)CCNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182603013 547520451 /nfs/dbraw/zinc/52/04/51/547520451.db2.gz HFLKJHIDAYRAEV-UHFFFAOYSA-N 1 1 361.851 2.035 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182681738 547532242 /nfs/dbraw/zinc/53/22/42/547532242.db2.gz UYJJWDSANGZZHR-LLVKDONJSA-N 1 1 368.821 2.177 20 5 FEBDMO CCN(C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1)S(C)(=O)=O ZINC000183338626 547641208 /nfs/dbraw/zinc/64/12/08/547641208.db2.gz KHYJGYICKNRVQZ-UHFFFAOYSA-N 1 1 355.460 2.149 20 5 FEBDMO Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000183783989 547719310 /nfs/dbraw/zinc/71/93/10/547719310.db2.gz RHGKXKAGMPPLNI-SFHVURJKSA-N 1 1 369.421 2.400 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184297088 547802541 /nfs/dbraw/zinc/80/25/41/547802541.db2.gz TTYPOAYEDLPJFS-GFCCVEGCSA-N 1 1 354.838 2.004 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CCO[C@]4(CCOC4)C3)o2)c1 ZINC000185168326 547944880 /nfs/dbraw/zinc/94/48/80/547944880.db2.gz CYCKEPCLLJIOFG-GOSISDBHSA-N 1 1 359.382 2.284 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000185235735 547957199 /nfs/dbraw/zinc/95/71/99/547957199.db2.gz DLJNTZBVIIJLTE-UHFFFAOYSA-N 1 1 361.851 2.271 20 5 FEBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000185446291 547985452 /nfs/dbraw/zinc/98/54/52/547985452.db2.gz FUOYAVRMCABKQN-HNNXBMFYSA-N 1 1 370.409 2.432 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000485627543 561324342 /nfs/dbraw/zinc/32/43/42/561324342.db2.gz PZSSYHQOWMNZKS-UHFFFAOYSA-N 1 1 355.398 2.330 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000186883506 548211436 /nfs/dbraw/zinc/21/14/36/548211436.db2.gz AMSUWNVUNNQRAF-LBPRGKRZSA-N 1 1 369.849 2.094 20 5 FEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000194021626 548423760 /nfs/dbraw/zinc/42/37/60/548423760.db2.gz SPUGMEAAEIUZLW-ZIAGYGMSSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000194021626 548423763 /nfs/dbraw/zinc/42/37/63/548423763.db2.gz SPUGMEAAEIUZLW-ZIAGYGMSSA-N 1 1 363.458 2.419 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000194020678 548424570 /nfs/dbraw/zinc/42/45/70/548424570.db2.gz TUEUQJJDINNTGO-ZMSDIMECSA-N 1 1 363.458 2.077 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000194020678 548424573 /nfs/dbraw/zinc/42/45/73/548424573.db2.gz TUEUQJJDINNTGO-ZMSDIMECSA-N 1 1 363.458 2.077 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccnc2-n2cccn2)c([N+](=O)[O-])c1 ZINC000194201531 548449469 /nfs/dbraw/zinc/44/94/69/548449469.db2.gz IOBFNTNFSBPTLP-UHFFFAOYSA-N 1 1 354.326 2.374 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000195608414 548654731 /nfs/dbraw/zinc/65/47/31/548654731.db2.gz RPGQRYUEMUPPFH-CYBMUJFWSA-N 1 1 355.460 2.384 20 5 FEBDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000245868636 549006261 /nfs/dbraw/zinc/00/62/61/549006261.db2.gz LSWPRIKQNFOSHX-GJZGRUSLSA-N 1 1 361.423 2.022 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000245890228 549012266 /nfs/dbraw/zinc/01/22/66/549012266.db2.gz OKEZTOVZKHTHAC-GDBMZVCRSA-N 1 1 363.805 2.006 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000245890228 549012271 /nfs/dbraw/zinc/01/22/71/549012271.db2.gz OKEZTOVZKHTHAC-GDBMZVCRSA-N 1 1 363.805 2.006 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000245910213 549017512 /nfs/dbraw/zinc/01/75/12/549017512.db2.gz VLHZJRTWYZQBLX-GOEBONIOSA-N 1 1 369.425 2.337 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246040427 549040203 /nfs/dbraw/zinc/04/02/03/549040203.db2.gz BEYHNCIJTFMTJK-JSGCOSHPSA-N 1 1 355.460 2.260 20 5 FEBDMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246115551 549055234 /nfs/dbraw/zinc/05/52/34/549055234.db2.gz GCSWHNVOHXWZPY-QLFBSQMISA-N 1 1 361.446 2.266 20 5 FEBDMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246115551 549055237 /nfs/dbraw/zinc/05/52/37/549055237.db2.gz GCSWHNVOHXWZPY-QLFBSQMISA-N 1 1 361.446 2.266 20 5 FEBDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246718317 549195800 /nfs/dbraw/zinc/19/58/00/549195800.db2.gz LMEVEQFVHJRTFR-DGCLKSJQSA-N 1 1 361.427 2.455 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246783843 549211054 /nfs/dbraw/zinc/21/10/54/549211054.db2.gz QWZRTPXDVKDNKI-GUYCJALGSA-N 1 1 363.414 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000246783843 549211058 /nfs/dbraw/zinc/21/10/58/549211058.db2.gz QWZRTPXDVKDNKI-GUYCJALGSA-N 1 1 363.414 2.433 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000489089399 561403095 /nfs/dbraw/zinc/40/30/95/561403095.db2.gz FUILWFXWBCHJCD-CYBMUJFWSA-N 1 1 367.413 2.155 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](CSc3ccccc3)C2)c1 ZINC000247343324 549322786 /nfs/dbraw/zinc/32/27/86/549322786.db2.gz GFFCAUZNHIVTLR-GOEBONIOSA-N 1 1 362.455 2.266 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247653277 549369027 /nfs/dbraw/zinc/36/90/27/549369027.db2.gz WRGSEPJRQGGIQE-WCQYABFASA-N 1 1 373.862 2.353 20 5 FEBDMO C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1F ZINC000248490320 549450396 /nfs/dbraw/zinc/45/03/96/549450396.db2.gz IAKOCUKNMVNGLD-ZFWWWQNUSA-N 1 1 367.421 2.191 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261671890 549741646 /nfs/dbraw/zinc/74/16/46/549741646.db2.gz JDOGWOCZDUEHRX-OAHLLOKOSA-N 1 1 365.386 2.069 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261732009 549748748 /nfs/dbraw/zinc/74/87/48/549748748.db2.gz LXPWBROQYVDJRL-MRXNPFEDSA-N 1 1 360.801 2.359 20 5 FEBDMO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268616038 550094481 /nfs/dbraw/zinc/09/44/81/550094481.db2.gz ZLOJRQOIIPBLHI-SFHVURJKSA-N 1 1 368.437 2.400 20 5 FEBDMO COc1cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000492912837 561453391 /nfs/dbraw/zinc/45/33/91/561453391.db2.gz QGRGNIFAMLTETC-UHFFFAOYSA-N 1 1 350.463 2.061 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270777251 550306310 /nfs/dbraw/zinc/30/63/10/550306310.db2.gz GKBOAVSGKACBBV-UHFFFAOYSA-N 1 1 364.446 2.237 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272337495 550438749 /nfs/dbraw/zinc/43/87/49/550438749.db2.gz XVKJEWCTNRJFAN-CZUORRHYSA-N 1 1 371.441 2.277 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272337501 550438951 /nfs/dbraw/zinc/43/89/51/550438951.db2.gz XVKJEWCTNRJFAN-XJKSGUPXSA-N 1 1 371.441 2.277 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272410105 550445246 /nfs/dbraw/zinc/44/52/46/550445246.db2.gz CBHVFQDPMDSCOA-DGCLKSJQSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272410105 550445247 /nfs/dbraw/zinc/44/52/47/550445247.db2.gz CBHVFQDPMDSCOA-DGCLKSJQSA-N 1 1 373.862 2.271 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272571133 550458444 /nfs/dbraw/zinc/45/84/44/550458444.db2.gz LGOUUQODUJRDGR-XHDPSFHLSA-N 1 1 352.822 2.484 20 5 FEBDMO CC[N@@H+]1CC[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000272819325 550472012 /nfs/dbraw/zinc/47/20/12/550472012.db2.gz IMRAUIBZTPJCDA-GHMZBOCLSA-N 1 1 361.489 2.226 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000272819325 550472014 /nfs/dbraw/zinc/47/20/14/550472014.db2.gz IMRAUIBZTPJCDA-GHMZBOCLSA-N 1 1 361.489 2.226 20 5 FEBDMO Cc1nn(C)c(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000273080686 550484412 /nfs/dbraw/zinc/48/44/12/550484412.db2.gz HDWHPDXVLGSJSG-INIZCTEOSA-N 1 1 359.430 2.206 20 5 FEBDMO CC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000274133124 550524461 /nfs/dbraw/zinc/52/44/61/550524461.db2.gz CWHAWIQCQGMPSA-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO CC[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000274133124 550524462 /nfs/dbraw/zinc/52/44/62/550524462.db2.gz CWHAWIQCQGMPSA-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000277004890 550620778 /nfs/dbraw/zinc/62/07/78/550620778.db2.gz ABWSWVWNPFLALI-ZDUSSCGKSA-N 1 1 354.426 2.428 20 5 FEBDMO COC(=O)c1cc(NC(=O)N(C)CC[N@@H+](C)C2CC2)c(C)c([N+](=O)[O-])c1 ZINC000277413673 550667518 /nfs/dbraw/zinc/66/75/18/550667518.db2.gz LUEWVOIAYXGCMO-UHFFFAOYSA-N 1 1 364.402 2.248 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277511488 550679395 /nfs/dbraw/zinc/67/93/95/550679395.db2.gz QCHCJRCWNMLAEG-ZDUSSCGKSA-N 1 1 366.418 2.226 20 5 FEBDMO CC[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000278524923 550795310 /nfs/dbraw/zinc/79/53/10/550795310.db2.gz ZIZBJEUFAJXMEC-QWRGUYRKSA-N 1 1 362.352 2.290 20 5 FEBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000278671863 550809853 /nfs/dbraw/zinc/80/98/53/550809853.db2.gz BMUSXHSVCQILML-CQSZACIVSA-N 1 1 357.414 2.446 20 5 FEBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000279337865 550878918 /nfs/dbraw/zinc/87/89/18/550878918.db2.gz QWPUFFVFGSEXNV-UHFFFAOYSA-N 1 1 361.826 2.095 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000280280676 550976296 /nfs/dbraw/zinc/97/62/96/550976296.db2.gz DMDQHCMSDLCJNC-GFCCVEGCSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000280497793 551000525 /nfs/dbraw/zinc/00/05/25/551000525.db2.gz MSGFDXLVJZLVOQ-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@](C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000280497793 551000526 /nfs/dbraw/zinc/00/05/26/551000526.db2.gz MSGFDXLVJZLVOQ-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281075446 551061024 /nfs/dbraw/zinc/06/10/24/551061024.db2.gz UBKZRJRZDATZPK-SJORKVTESA-N 1 1 373.409 2.021 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281413573 551094368 /nfs/dbraw/zinc/09/43/68/551094368.db2.gz OHYBUGSDEKTALJ-CYBMUJFWSA-N 1 1 351.403 2.433 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497516476 561502936 /nfs/dbraw/zinc/50/29/36/561502936.db2.gz OPDQIJPOVBSVGW-CYBMUJFWSA-N 1 1 355.460 2.166 20 5 FEBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000282657863 551256381 /nfs/dbraw/zinc/25/63/81/551256381.db2.gz GDZCMHXCWONFEJ-KRWDZBQOSA-N 1 1 371.441 2.208 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1(C)C ZINC000282731683 551264580 /nfs/dbraw/zinc/26/45/80/551264580.db2.gz ZTLAZCAWNBRHRE-UHFFFAOYSA-N 1 1 354.838 2.004 20 5 FEBDMO CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000498018566 561513867 /nfs/dbraw/zinc/51/38/67/561513867.db2.gz GPSBYKQYKQVAHE-WBVHZDCISA-N 1 1 371.441 2.475 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000284412469 551544184 /nfs/dbraw/zinc/54/41/84/551544184.db2.gz NYIUPZVFPMLVEO-MEDUHNTESA-N 1 1 362.405 2.405 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC000498556497 561528113 /nfs/dbraw/zinc/52/81/13/561528113.db2.gz QHYBHGJLYTYFBM-UONOGXRCSA-N 1 1 372.425 2.463 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000285472436 551761527 /nfs/dbraw/zinc/76/15/27/551761527.db2.gz CECPJRSGUXPWLH-YIONKMFJSA-N 1 1 367.471 2.457 20 5 FEBDMO CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000498919663 561537861 /nfs/dbraw/zinc/53/78/61/561537861.db2.gz WCQYKRAVSPPASE-OAHLLOKOSA-N 1 1 369.425 2.232 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](C)[S@]1=O ZINC000285827804 551816122 /nfs/dbraw/zinc/81/61/22/551816122.db2.gz HCXHSKQHILWAAA-UCSSDQKISA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](C)[S@]1=O ZINC000285827804 551816123 /nfs/dbraw/zinc/81/61/23/551816123.db2.gz HCXHSKQHILWAAA-UCSSDQKISA-N 1 1 367.471 2.463 20 5 FEBDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000286259413 551866619 /nfs/dbraw/zinc/86/66/19/551866619.db2.gz GNJWIGCFDHYYHJ-OCCSQVGLSA-N 1 1 353.444 2.061 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286270731 551868264 /nfs/dbraw/zinc/86/82/64/551868264.db2.gz UBIARZSNJSBACV-OAHLLOKOSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286270731 551868265 /nfs/dbraw/zinc/86/82/65/551868265.db2.gz UBIARZSNJSBACV-OAHLLOKOSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1cc(OCC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000286388149 551881873 /nfs/dbraw/zinc/88/18/73/551881873.db2.gz YUIQXLSOQQTTID-PBWFPOADSA-N 1 1 363.414 2.066 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287841081 552053279 /nfs/dbraw/zinc/05/32/79/552053279.db2.gz RNWYJIOMNIMZTG-NSHDSACASA-N 1 1 363.443 2.289 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000500151822 561567016 /nfs/dbraw/zinc/56/70/16/561567016.db2.gz VPKULJYJJAQQJQ-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000500409144 561571916 /nfs/dbraw/zinc/57/19/16/561571916.db2.gz OGIXFURSDHBZGC-CYBMUJFWSA-N 1 1 370.475 2.179 20 5 FEBDMO C[C@]1(C[C@H]2CCC[N@H+]2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623590 552351584 /nfs/dbraw/zinc/35/15/84/552351584.db2.gz LQFFZDTYDIVCEI-AVHKGYALSA-N 1 1 358.398 2.061 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000289790151 552378668 /nfs/dbraw/zinc/37/86/68/552378668.db2.gz ISEQTDWYUWBMAU-LBPRGKRZSA-N 1 1 359.423 2.147 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500868769 561584790 /nfs/dbraw/zinc/58/47/90/561584790.db2.gz ZEHHXOAHBLUVRU-BBRMVZONSA-N 1 1 357.414 2.051 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000290577431 552501154 /nfs/dbraw/zinc/50/11/54/552501154.db2.gz HFUHQQMDSQORLE-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CN(CCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1Cl)CC[NH+](C)C ZINC000290577431 552501156 /nfs/dbraw/zinc/50/11/56/552501156.db2.gz HFUHQQMDSQORLE-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290780847 552536689 /nfs/dbraw/zinc/53/66/89/552536689.db2.gz MYEFERRWSKNAQP-AWEZNQCLSA-N 1 1 369.425 2.190 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291110198 552587702 /nfs/dbraw/zinc/58/77/02/552587702.db2.gz KICZSWUXVCXLSH-ZDUSSCGKSA-N 1 1 353.423 2.026 20 5 FEBDMO CCc1cc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000292694681 552750070 /nfs/dbraw/zinc/75/00/70/552750070.db2.gz AGHHDSGZPJKYST-UHFFFAOYSA-N 1 1 355.398 2.218 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000292698920 552750373 /nfs/dbraw/zinc/75/03/73/552750373.db2.gz DBXUFCKSIAMHPU-QGZVFWFLSA-N 1 1 367.471 2.318 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc([N+](=O)[O-])c1F ZINC000292856219 552765548 /nfs/dbraw/zinc/76/55/48/552765548.db2.gz QYKAVMMYYGTYCU-INIZCTEOSA-N 1 1 371.434 2.149 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293234522 552801783 /nfs/dbraw/zinc/80/17/83/552801783.db2.gz SLELLNZNHDFZBK-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293234522 552801784 /nfs/dbraw/zinc/80/17/84/552801784.db2.gz SLELLNZNHDFZBK-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000293918685 552867828 /nfs/dbraw/zinc/86/78/28/552867828.db2.gz OKYOLPDGBOOBKC-LSDHHAIUSA-N 1 1 353.806 2.183 20 5 FEBDMO COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000501825890 561606286 /nfs/dbraw/zinc/60/62/86/561606286.db2.gz LBXUJEVNPGXTAX-MRXNPFEDSA-N 1 1 374.393 2.253 20 5 FEBDMO COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000501825890 561606287 /nfs/dbraw/zinc/60/62/87/561606287.db2.gz LBXUJEVNPGXTAX-MRXNPFEDSA-N 1 1 374.393 2.253 20 5 FEBDMO CCN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000501895556 561607659 /nfs/dbraw/zinc/60/76/59/561607659.db2.gz BJKYEEQANIQONA-MRXNPFEDSA-N 1 1 372.429 2.025 20 5 FEBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1c1ncc[nH]1 ZINC000501895556 561607660 /nfs/dbraw/zinc/60/76/60/561607660.db2.gz BJKYEEQANIQONA-MRXNPFEDSA-N 1 1 372.429 2.025 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000295387522 552997951 /nfs/dbraw/zinc/99/79/51/552997951.db2.gz UTODZMYUSNJTFZ-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000295387522 552997953 /nfs/dbraw/zinc/99/79/53/552997953.db2.gz UTODZMYUSNJTFZ-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000295647380 553039068 /nfs/dbraw/zinc/03/90/68/553039068.db2.gz FUESRKBIAHTULK-UONOGXRCSA-N 1 1 372.425 2.451 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000295862952 553069343 /nfs/dbraw/zinc/06/93/43/553069343.db2.gz DYUOKLHZHSGEML-CRAIPNDOSA-N 1 1 362.426 2.226 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000296888873 553225785 /nfs/dbraw/zinc/22/57/85/553225785.db2.gz VHQJJPVVEBCURF-GFCCVEGCSA-N 1 1 355.822 2.479 20 5 FEBDMO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)CC1 ZINC000298240245 553402456 /nfs/dbraw/zinc/40/24/56/553402456.db2.gz CPSUKNPUSQLFTD-LLVKDONJSA-N 1 1 350.375 2.368 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000298554626 553439822 /nfs/dbraw/zinc/43/98/22/553439822.db2.gz ONBSVRSJBZOQTL-ZDUSSCGKSA-N 1 1 365.430 2.415 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCc2sccc2C1 ZINC000299078577 553512582 /nfs/dbraw/zinc/51/25/82/553512582.db2.gz FGUOWJFBOXFHAG-UHFFFAOYSA-N 1 1 361.423 2.210 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCc2sccc2C1 ZINC000299078577 553512584 /nfs/dbraw/zinc/51/25/84/553512584.db2.gz FGUOWJFBOXFHAG-UHFFFAOYSA-N 1 1 361.423 2.210 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000299455404 553565406 /nfs/dbraw/zinc/56/54/06/553565406.db2.gz XCBCQYMEFXKNEE-ZDUSSCGKSA-N 1 1 353.419 2.271 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000299730185 553609013 /nfs/dbraw/zinc/60/90/13/553609013.db2.gz WQYGJMGVWAPHSQ-KBPBESRZSA-N 1 1 362.430 2.091 20 5 FEBDMO COc1ccc(-c2ccc(C[N@@H+](C)CCOCCO)o2)c([N+](=O)[O-])c1 ZINC000504568174 561659797 /nfs/dbraw/zinc/65/97/97/561659797.db2.gz KMWOCFOFJAVQHR-UHFFFAOYSA-N 1 1 350.371 2.304 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000301238543 553634335 /nfs/dbraw/zinc/63/43/35/553634335.db2.gz NEDAYEUPQOPSHI-XQQFMLRXSA-N 1 1 370.475 2.021 20 5 FEBDMO Cc1cc(OC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000504672815 561661044 /nfs/dbraw/zinc/66/10/44/561661044.db2.gz FHHKCRIUFVPBAP-JHJVBQTASA-N 1 1 358.822 2.406 20 5 FEBDMO O=C(NC1CC1)c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301367341 553645455 /nfs/dbraw/zinc/64/54/55/553645455.db2.gz RKDLJXBFYXWWFD-BHYGNILZSA-N 1 1 370.453 2.408 20 5 FEBDMO CNC(=O)c1ccc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000301660192 553669630 /nfs/dbraw/zinc/66/96/30/553669630.db2.gz CFZLPRACNNFUKW-CYBMUJFWSA-N 1 1 357.414 2.147 20 5 FEBDMO Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301767362 553678141 /nfs/dbraw/zinc/67/81/41/553678141.db2.gz ODKNCWQWSHSKSL-XJKSGUPXSA-N 1 1 357.414 2.491 20 5 FEBDMO Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301767362 553678142 /nfs/dbraw/zinc/67/81/42/553678142.db2.gz ODKNCWQWSHSKSL-XJKSGUPXSA-N 1 1 357.414 2.491 20 5 FEBDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000505067911 561665760 /nfs/dbraw/zinc/66/57/60/561665760.db2.gz HHBZOJBZLBBRGA-INIZCTEOSA-N 1 1 374.441 2.373 20 5 FEBDMO CCc1cc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nc(C)[nH+]1 ZINC000302072825 553701916 /nfs/dbraw/zinc/70/19/16/553701916.db2.gz ZODMOPHBNURBMZ-UHFFFAOYSA-N 1 1 361.427 2.280 20 5 FEBDMO Cc1cccc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000302485747 553718593 /nfs/dbraw/zinc/71/85/93/553718593.db2.gz IEZJHOJPAYFKLK-UHFFFAOYSA-N 1 1 360.458 2.284 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505603063 561675072 /nfs/dbraw/zinc/67/50/72/561675072.db2.gz BAGGVSQHLANNMY-GXFFZTMASA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505603063 561675073 /nfs/dbraw/zinc/67/50/73/561675073.db2.gz BAGGVSQHLANNMY-GXFFZTMASA-N 1 1 360.357 2.450 20 5 FEBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976191 553762940 /nfs/dbraw/zinc/76/29/40/553762940.db2.gz FLYZUXAHQTVOSJ-VHSXEESVSA-N 1 1 369.219 2.061 20 5 FEBDMO CC[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000507090871 561717139 /nfs/dbraw/zinc/71/71/39/561717139.db2.gz VXQIYDBJXXFZSY-HNNXBMFYSA-N 1 1 370.409 2.262 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000507380883 561727094 /nfs/dbraw/zinc/72/70/94/561727094.db2.gz MSPDMNKUEYXFBJ-ZDUSSCGKSA-N 1 1 350.419 2.135 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330421194 554119778 /nfs/dbraw/zinc/11/97/78/554119778.db2.gz QCMJWOMEOJELSS-KGLIPLIRSA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330454962 554124005 /nfs/dbraw/zinc/12/40/05/554124005.db2.gz WODSLLDHCPGQLP-HZSPNIEDSA-N 1 1 351.451 2.009 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000330604477 554144518 /nfs/dbraw/zinc/14/45/18/554144518.db2.gz IWDRCPPHCUPMLS-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000330604477 554144520 /nfs/dbraw/zinc/14/45/20/554144520.db2.gz IWDRCPPHCUPMLS-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H](C)[N@@H+]1C ZINC000330784429 554171257 /nfs/dbraw/zinc/17/12/57/554171257.db2.gz JYPMKKNZVNQCHD-PHIMTYICSA-N 1 1 370.247 2.451 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000331285064 554241233 /nfs/dbraw/zinc/24/12/33/554241233.db2.gz MUUVRIHBBVDEPW-UHFFFAOYSA-N 1 1 371.459 2.004 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000331285064 554241234 /nfs/dbraw/zinc/24/12/34/554241234.db2.gz MUUVRIHBBVDEPW-UHFFFAOYSA-N 1 1 371.459 2.004 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331736619 554318322 /nfs/dbraw/zinc/31/83/22/554318322.db2.gz UEVYCOICDGLMPM-HNAYVOBHSA-N 1 1 361.442 2.414 20 5 FEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000509663873 561809818 /nfs/dbraw/zinc/80/98/18/561809818.db2.gz FHEMXHSQNLHFFD-STQMWFEESA-N 1 1 358.398 2.073 20 5 FEBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1[N+](=O)[O-] ZINC000331906526 554344021 /nfs/dbraw/zinc/34/40/21/554344021.db2.gz KFBGKXSFOLFAFK-IIDMSEBBSA-N 1 1 350.415 2.355 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000332562099 554472058 /nfs/dbraw/zinc/47/20/58/554472058.db2.gz XEQUJCZWTKNXAR-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592791 554478718 /nfs/dbraw/zinc/47/87/18/554478718.db2.gz NYLYZRINDQYGQD-LSDHHAIUSA-N 1 1 367.471 2.459 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000361297305 554915254 /nfs/dbraw/zinc/91/52/54/554915254.db2.gz DZWMXBRIFZZNOH-HNNXBMFYSA-N 1 1 363.462 2.294 20 5 FEBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000363100063 555030062 /nfs/dbraw/zinc/03/00/62/555030062.db2.gz UJEQSOKXENSDQE-UHFFFAOYSA-N 1 1 365.405 2.499 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458204 555110865 /nfs/dbraw/zinc/11/08/65/555110865.db2.gz ZAWUNTMONOLGTD-VXGBXAGGSA-N 1 1 354.794 2.233 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363678251 555161916 /nfs/dbraw/zinc/16/19/16/555161916.db2.gz KYMUJIZZJFMGCR-ZOBUZTSGSA-N 1 1 358.442 2.340 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873341 555204024 /nfs/dbraw/zinc/20/40/24/555204024.db2.gz CIMISDWFAHGHTE-DYVFJYSZSA-N 1 1 369.425 2.212 20 5 FEBDMO Cc1cc([C@H]2CCCN(CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)[nH]n1 ZINC000364036713 555237526 /nfs/dbraw/zinc/23/75/26/555237526.db2.gz SWFPOMRCRAOJGY-HNNXBMFYSA-N 1 1 369.425 2.395 20 5 FEBDMO Cc1cc([C@H]2CCC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)n[nH]1 ZINC000364036713 555237528 /nfs/dbraw/zinc/23/75/28/555237528.db2.gz SWFPOMRCRAOJGY-HNNXBMFYSA-N 1 1 369.425 2.395 20 5 FEBDMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)n[nH]1 ZINC000364036713 555237530 /nfs/dbraw/zinc/23/75/30/555237530.db2.gz SWFPOMRCRAOJGY-HNNXBMFYSA-N 1 1 369.425 2.395 20 5 FEBDMO Cc1cc([C@H]2CCC[N@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)[nH]n1 ZINC000364036713 555237531 /nfs/dbraw/zinc/23/75/31/555237531.db2.gz SWFPOMRCRAOJGY-HNNXBMFYSA-N 1 1 369.425 2.395 20 5 FEBDMO Cc1cc([C@H]2CCC[N@@H+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)C2)[nH]n1 ZINC000364036713 555237533 /nfs/dbraw/zinc/23/75/33/555237533.db2.gz SWFPOMRCRAOJGY-HNNXBMFYSA-N 1 1 369.425 2.395 20 5 FEBDMO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364492863 555323611 /nfs/dbraw/zinc/32/36/11/555323611.db2.gz SDVXPPMGEAKJJO-CQSZACIVSA-N 1 1 358.464 2.033 20 5 FEBDMO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364492863 555323612 /nfs/dbraw/zinc/32/36/12/555323612.db2.gz SDVXPPMGEAKJJO-CQSZACIVSA-N 1 1 358.464 2.033 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000364647797 555362468 /nfs/dbraw/zinc/36/24/68/555362468.db2.gz QGQCRAIWWCHRFJ-UHFFFAOYSA-N 1 1 359.373 2.479 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)C1 ZINC000364887151 555425889 /nfs/dbraw/zinc/42/58/89/555425889.db2.gz ZUUSKXWKOSEPMR-HNNXBMFYSA-N 1 1 355.442 2.359 20 5 FEBDMO COc1cc(C[NH2+]Cc2ccc(C[S@](C)=O)cc2)c([N+](=O)[O-])cc1O ZINC000513068647 561924018 /nfs/dbraw/zinc/92/40/18/561924018.db2.gz KNAGASKBAKQOIQ-VWLOTQADSA-N 1 1 364.423 2.477 20 5 FEBDMO C[NH+](C)[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000365380985 555558825 /nfs/dbraw/zinc/55/88/25/555558825.db2.gz SLUQGEPYGNAYEQ-ZDUSSCGKSA-N 1 1 352.410 2.479 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000365542945 555604542 /nfs/dbraw/zinc/60/45/42/555604542.db2.gz ANADFKZESLUIBX-ZNMIVQPWSA-N 1 1 374.397 2.368 20 5 FEBDMO CO[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000513247960 561930908 /nfs/dbraw/zinc/93/09/08/561930908.db2.gz ZTSLDBKUWOKKMP-VIFPVBQESA-N 1 1 360.208 2.263 20 5 FEBDMO CO[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000513247960 561930909 /nfs/dbraw/zinc/93/09/09/561930909.db2.gz ZTSLDBKUWOKKMP-VIFPVBQESA-N 1 1 360.208 2.263 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365793158 555668739 /nfs/dbraw/zinc/66/87/39/555668739.db2.gz FGILMWHEXBJQBF-HOTGVXAUSA-N 1 1 362.386 2.478 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365793158 555668740 /nfs/dbraw/zinc/66/87/40/555668740.db2.gz FGILMWHEXBJQBF-HOTGVXAUSA-N 1 1 362.386 2.478 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nnc[nH]4)C3)o2)cc1 ZINC000365903785 555697209 /nfs/dbraw/zinc/69/72/09/555697209.db2.gz QNQKFDPEWOXDSC-GFCCVEGCSA-N 1 1 355.358 2.143 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nnc[nH]4)C3)o2)cc1 ZINC000365903785 555697210 /nfs/dbraw/zinc/69/72/10/555697210.db2.gz QNQKFDPEWOXDSC-GFCCVEGCSA-N 1 1 355.358 2.143 20 5 FEBDMO C[C@@]1(C2CC[NH+](Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)NC(=O)NC1=O ZINC000366355900 555820134 /nfs/dbraw/zinc/82/01/34/555820134.db2.gz OBHXJRJVBQDLND-INIZCTEOSA-N 1 1 366.805 2.058 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367425961 556045628 /nfs/dbraw/zinc/04/56/28/556045628.db2.gz KDMVOPICEMRDDJ-UHFFFAOYSA-N 1 1 359.415 2.414 20 5 FEBDMO Cc1cc([C@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664827 556378656 /nfs/dbraw/zinc/37/86/56/556378656.db2.gz YUEZPSIPGNXHGQ-GOEBONIOSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@H]2CCC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664827 556378660 /nfs/dbraw/zinc/37/86/60/556378660.db2.gz YUEZPSIPGNXHGQ-GOEBONIOSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664827 556378664 /nfs/dbraw/zinc/37/86/64/556378664.db2.gz YUEZPSIPGNXHGQ-GOEBONIOSA-N 1 1 360.414 2.246 20 5 FEBDMO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000368683325 556384634 /nfs/dbraw/zinc/38/46/34/556384634.db2.gz DVBPNEPWILJCMK-HNNXBMFYSA-N 1 1 361.446 2.086 20 5 FEBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccn(-c3cccc([N+](=O)[O-])c3)n1)CC2 ZINC000368707178 556392304 /nfs/dbraw/zinc/39/23/04/556392304.db2.gz OWQKCMNXAMJHFY-UHFFFAOYSA-N 1 1 369.425 2.481 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000369018203 556477894 /nfs/dbraw/zinc/47/78/94/556477894.db2.gz RRQSSOKARVFHCY-WBVHZDCISA-N 1 1 355.398 2.234 20 5 FEBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000369018203 556477895 /nfs/dbraw/zinc/47/78/95/556477895.db2.gz RRQSSOKARVFHCY-WBVHZDCISA-N 1 1 355.398 2.234 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000369018199 556478107 /nfs/dbraw/zinc/47/81/07/556478107.db2.gz RRQSSOKARVFHCY-RDJZCZTQSA-N 1 1 355.398 2.234 20 5 FEBDMO O=C1[C@@H]([N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000369018199 556478109 /nfs/dbraw/zinc/47/81/09/556478109.db2.gz RRQSSOKARVFHCY-RDJZCZTQSA-N 1 1 355.398 2.234 20 5 FEBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000369062933 556493897 /nfs/dbraw/zinc/49/38/97/556493897.db2.gz IVGNYRBLNCZSFI-UHFFFAOYSA-N 1 1 360.458 2.113 20 5 FEBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000369641266 556655453 /nfs/dbraw/zinc/65/54/53/556655453.db2.gz SRYOACPYGJXGGN-SNVBAGLBSA-N 1 1 350.325 2.404 20 5 FEBDMO O=C1CO[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]2N1 ZINC000370712543 556946562 /nfs/dbraw/zinc/94/65/62/556946562.db2.gz WHFMSXOHRCAARG-CVEARBPZSA-N 1 1 373.434 2.413 20 5 FEBDMO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370838728 556986154 /nfs/dbraw/zinc/98/61/54/556986154.db2.gz GRYLBCWYWPQEML-GHOSXJJBSA-N 1 1 372.469 2.235 20 5 FEBDMO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370838728 556986156 /nfs/dbraw/zinc/98/61/56/556986156.db2.gz GRYLBCWYWPQEML-GHOSXJJBSA-N 1 1 372.469 2.235 20 5 FEBDMO Cc1[nH+]c(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c2n1CCCC2 ZINC000371437070 557187594 /nfs/dbraw/zinc/18/75/94/557187594.db2.gz DKGOXMPCUYTSSZ-UHFFFAOYSA-N 1 1 357.370 2.379 20 5 FEBDMO COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747602 562097024 /nfs/dbraw/zinc/09/70/24/562097024.db2.gz ZBQNFMJQBCEQPE-CVEARBPZSA-N 1 1 371.441 2.227 20 5 FEBDMO COc1ccc([C@H](C[NH3+])CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747602 562097025 /nfs/dbraw/zinc/09/70/25/562097025.db2.gz ZBQNFMJQBCEQPE-CVEARBPZSA-N 1 1 371.441 2.227 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000518104195 562104633 /nfs/dbraw/zinc/10/46/33/562104633.db2.gz YSBHQLVZAYIGCI-OKILXGFUSA-N 1 1 362.430 2.221 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOCC2(CCC2)C1 ZINC000371900035 557324704 /nfs/dbraw/zinc/32/47/04/557324704.db2.gz UJVGTCKBEDWLQN-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000372170383 557399006 /nfs/dbraw/zinc/39/90/06/557399006.db2.gz RLAQMPOWSVALHE-LSDHHAIUSA-N 1 1 358.398 2.107 20 5 FEBDMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000372170383 557399009 /nfs/dbraw/zinc/39/90/09/557399009.db2.gz RLAQMPOWSVALHE-LSDHHAIUSA-N 1 1 358.398 2.107 20 5 FEBDMO Nc1nc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)ncc1[N+](=O)[O-] ZINC000372366286 557451669 /nfs/dbraw/zinc/45/16/69/557451669.db2.gz NDDDXFSEGKJNTR-UHFFFAOYSA-N 1 1 368.441 2.460 20 5 FEBDMO C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000372478717 557480795 /nfs/dbraw/zinc/48/07/95/557480795.db2.gz VXFHVHHZHTZHJF-NVXWUHKLSA-N 1 1 357.414 2.258 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000372550080 557501391 /nfs/dbraw/zinc/50/13/91/557501391.db2.gz BQVASJJIIVJKCQ-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000372556239 557503661 /nfs/dbraw/zinc/50/36/61/557503661.db2.gz IYVMUAVWUBRAPD-IBGZPJMESA-N 1 1 374.441 2.176 20 5 FEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000372583945 557512848 /nfs/dbraw/zinc/51/28/48/557512848.db2.gz GIZRLOLOSKMMBY-RUYXUALKSA-N 1 1 351.406 2.384 20 5 FEBDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000373393964 557686029 /nfs/dbraw/zinc/68/60/29/557686029.db2.gz OXUWXRVASJAXTO-GFCCVEGCSA-N 1 1 358.402 2.369 20 5 FEBDMO CO[C@H](C)c1nc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000520398089 562155317 /nfs/dbraw/zinc/15/53/17/562155317.db2.gz QPLUTETXLZVDKX-DGCLKSJQSA-N 1 1 367.427 2.288 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000373809618 557764262 /nfs/dbraw/zinc/76/42/62/557764262.db2.gz JVCKAHRIFDJRGP-KSSFIOAISA-N 1 1 363.414 2.193 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](CO)C1 ZINC000374042285 557812859 /nfs/dbraw/zinc/81/28/59/557812859.db2.gz KXVYNCUDMOZGHV-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCCC[C@H](CO)C1 ZINC000374042285 557812860 /nfs/dbraw/zinc/81/28/60/557812860.db2.gz KXVYNCUDMOZGHV-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000374307746 557862941 /nfs/dbraw/zinc/86/29/41/557862941.db2.gz IGUZFNXQUPLEMS-RDJZCZTQSA-N 1 1 360.414 2.425 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000374372900 557873740 /nfs/dbraw/zinc/87/37/40/557873740.db2.gz GBRZZHKPRHRRAY-RYUDHWBXSA-N 1 1 352.366 2.027 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1F ZINC000375224288 557994589 /nfs/dbraw/zinc/99/45/89/557994589.db2.gz YYSGAVVZNMCPSB-OCCSQVGLSA-N 1 1 351.378 2.025 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1F ZINC000375224288 557994590 /nfs/dbraw/zinc/99/45/90/557994590.db2.gz YYSGAVVZNMCPSB-OCCSQVGLSA-N 1 1 351.378 2.025 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000375391346 558019844 /nfs/dbraw/zinc/01/98/44/558019844.db2.gz KYLROPCWNJRHRS-LJQANCHMSA-N 1 1 355.394 2.278 20 5 FEBDMO COc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000375754953 558077758 /nfs/dbraw/zinc/07/77/58/558077758.db2.gz DYBSOQPSIALMRD-PBWFPOADSA-N 1 1 362.430 2.099 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128771 558130665 /nfs/dbraw/zinc/13/06/65/558130665.db2.gz HBZAUJDCEWQPKJ-KSSFIOAISA-N 1 1 366.414 2.252 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128771 558130667 /nfs/dbraw/zinc/13/06/67/558130667.db2.gz HBZAUJDCEWQPKJ-KSSFIOAISA-N 1 1 366.414 2.252 20 5 FEBDMO CC(=O)c1cc(N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376187483 558138542 /nfs/dbraw/zinc/13/85/42/558138542.db2.gz KKMIWWYPMGUXOV-INIZCTEOSA-N 1 1 360.458 2.261 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000522416650 562198226 /nfs/dbraw/zinc/19/82/26/562198226.db2.gz MCQAGSRQTVFPGT-TZMCWYRMSA-N 1 1 355.460 2.302 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377660402 558389226 /nfs/dbraw/zinc/38/92/26/558389226.db2.gz WNXAIGNQIBQZIE-FZKQIMNGSA-N 1 1 365.430 2.271 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377660402 558389229 /nfs/dbraw/zinc/38/92/29/558389229.db2.gz WNXAIGNQIBQZIE-FZKQIMNGSA-N 1 1 365.430 2.271 20 5 FEBDMO CCOC(=O)c1cc(N2CCC[N@@H+](CCCOC)CC2)ccc1[N+](=O)[O-] ZINC000378099595 558480899 /nfs/dbraw/zinc/48/08/99/558480899.db2.gz DXIIQUKFDNNJFF-UHFFFAOYSA-N 1 1 365.430 2.320 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)C[C@H](C)O1 ZINC000523098777 562208381 /nfs/dbraw/zinc/20/83/81/562208381.db2.gz AMBUAFHXIVBJOC-OKILXGFUSA-N 1 1 373.413 2.039 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)C[C@H](C)O1 ZINC000523098777 562208382 /nfs/dbraw/zinc/20/83/82/562208382.db2.gz AMBUAFHXIVBJOC-OKILXGFUSA-N 1 1 373.413 2.039 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316030 558666322 /nfs/dbraw/zinc/66/63/22/558666322.db2.gz NFEZEXZYUHASJN-CHWSQXEVSA-N 1 1 371.434 2.290 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000408340610 558668616 /nfs/dbraw/zinc/66/86/16/558668616.db2.gz WPCNORUWBFECKS-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000524755372 562234032 /nfs/dbraw/zinc/23/40/32/562234032.db2.gz DOWUZNAIWRHHFT-AWEZNQCLSA-N 1 1 363.414 2.069 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000411395841 558887271 /nfs/dbraw/zinc/88/72/71/558887271.db2.gz DYBHBASTCWVQDF-OAHLLOKOSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411578455 558921444 /nfs/dbraw/zinc/92/14/44/558921444.db2.gz BVVAYZQPJOGCDB-AWEZNQCLSA-N 1 1 362.430 2.093 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411578455 558921446 /nfs/dbraw/zinc/92/14/46/558921446.db2.gz BVVAYZQPJOGCDB-AWEZNQCLSA-N 1 1 362.430 2.093 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411601733 558927578 /nfs/dbraw/zinc/92/75/78/558927578.db2.gz BBDQZWNYIGQTED-YNEHKIRRSA-N 1 1 351.403 2.430 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412003519 559001338 /nfs/dbraw/zinc/00/13/38/559001338.db2.gz XGAXMCKDUZMGPV-ROUUACIJSA-N 1 1 372.425 2.006 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412100071 559013477 /nfs/dbraw/zinc/01/34/77/559013477.db2.gz XDSXHAUBJFCUMX-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000526017893 562263911 /nfs/dbraw/zinc/26/39/11/562263911.db2.gz LKVOLTRIWJQIEN-UHFFFAOYSA-N 1 1 372.381 2.348 20 5 FEBDMO COCc1cc([N+](=O)[O-])ccc1NCC1([NH+]2CCOCC2)CCOCC1 ZINC000413396754 559104809 /nfs/dbraw/zinc/10/48/09/559104809.db2.gz FNMFSFAOUDUYIB-UHFFFAOYSA-N 1 1 365.430 2.035 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000414470433 559167059 /nfs/dbraw/zinc/16/70/59/559167059.db2.gz OSPLWVQYDLLUFL-LLVKDONJSA-N 1 1 366.443 2.331 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000416731575 559330372 /nfs/dbraw/zinc/33/03/72/559330372.db2.gz JRNCBKHYTQAOIB-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000416731575 559330373 /nfs/dbraw/zinc/33/03/73/559330373.db2.gz JRNCBKHYTQAOIB-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416927493 559338767 /nfs/dbraw/zinc/33/87/67/559338767.db2.gz WEBUFNROVXWKMA-CHWSQXEVSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416927493 559338768 /nfs/dbraw/zinc/33/87/68/559338768.db2.gz WEBUFNROVXWKMA-CHWSQXEVSA-N 1 1 350.419 2.130 20 5 FEBDMO C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000416960768 559340388 /nfs/dbraw/zinc/34/03/88/559340388.db2.gz WJGHVFBUJQRCHK-AWEZNQCLSA-N 1 1 355.398 2.150 20 5 FEBDMO C[C@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000416960768 559340389 /nfs/dbraw/zinc/34/03/89/559340389.db2.gz WJGHVFBUJQRCHK-AWEZNQCLSA-N 1 1 355.398 2.150 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)c1 ZINC000419281370 559435118 /nfs/dbraw/zinc/43/51/18/559435118.db2.gz BDPLUGSXPQPCSC-GDBMZVCRSA-N 1 1 366.368 2.138 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420377241 559483850 /nfs/dbraw/zinc/48/38/50/559483850.db2.gz PPRMUYSMIFYLIY-GOSISDBHSA-N 1 1 362.430 2.008 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](O)CC23CCC3)c([N+](=O)[O-])c1 ZINC000420990113 559518009 /nfs/dbraw/zinc/51/80/09/559518009.db2.gz DMRBOILIGREFMX-ZDUSSCGKSA-N 1 1 363.414 2.311 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421014316 559519732 /nfs/dbraw/zinc/51/97/32/559519732.db2.gz KIYGAKGESZPIJV-CQSZACIVSA-N 1 1 365.430 2.417 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000421409989 559541661 /nfs/dbraw/zinc/54/16/61/559541661.db2.gz OEXFFYZAUNINLZ-CQSZACIVSA-N 1 1 364.398 2.026 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1SC ZINC000421705254 559550137 /nfs/dbraw/zinc/55/01/37/559550137.db2.gz QVKYXJPERYZAQL-NSHDSACASA-N 1 1 353.444 2.492 20 5 FEBDMO Cn1ccnc1[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000423537947 559631538 /nfs/dbraw/zinc/63/15/38/559631538.db2.gz FBKGYCAQPUILAQ-KYHPRHEASA-N 1 1 355.442 2.395 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425352485 559697946 /nfs/dbraw/zinc/69/79/46/559697946.db2.gz HRTHJAAEPVUJTI-ZDUSSCGKSA-N 1 1 353.386 2.103 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000427373666 559754366 /nfs/dbraw/zinc/75/43/66/559754366.db2.gz BRBYUBIFYUBSTP-HOCLYGCPSA-N 1 1 371.441 2.452 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000427908126 559765224 /nfs/dbraw/zinc/76/52/24/559765224.db2.gz YCSVNKYKYGJJBX-CQSZACIVSA-N 1 1 372.425 2.370 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429544038 559800984 /nfs/dbraw/zinc/80/09/84/559800984.db2.gz ZUNTWKHKEUHEGC-CYBMUJFWSA-N 1 1 362.430 2.160 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431934347 559848811 /nfs/dbraw/zinc/84/88/11/559848811.db2.gz FSFNTTYTVDYFIV-UHFFFAOYSA-N 1 1 374.260 2.136 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000432866119 559866555 /nfs/dbraw/zinc/86/65/55/559866555.db2.gz NIHYZTJUFKHVPV-CYBMUJFWSA-N 1 1 351.403 2.294 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433940171 559890837 /nfs/dbraw/zinc/89/08/37/559890837.db2.gz JEUOXSJJSXUODV-QGZVFWFLSA-N 1 1 361.446 2.323 20 5 FEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCN(c2cnccn2)CC1 ZINC000434733831 559908178 /nfs/dbraw/zinc/90/81/78/559908178.db2.gz CYCKPSQZSXWVMV-UHFFFAOYSA-N 1 1 367.413 2.362 20 5 FEBDMO C[C@H](O)C[N@@H+](C)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436397899 559941167 /nfs/dbraw/zinc/94/11/67/559941167.db2.gz QVYDHXGJDMXSJY-JTQLQIEISA-N 1 1 362.352 2.290 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443342033 560081231 /nfs/dbraw/zinc/08/12/31/560081231.db2.gz DHLLDCKFJFKFAZ-YWPYICTPSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443342033 560081232 /nfs/dbraw/zinc/08/12/32/560081232.db2.gz DHLLDCKFJFKFAZ-YWPYICTPSA-N 1 1 351.403 2.023 20 5 FEBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000443852558 560094556 /nfs/dbraw/zinc/09/45/56/560094556.db2.gz QSFVNWXOFXYUFG-CQSZACIVSA-N 1 1 367.452 2.186 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000443955695 560097434 /nfs/dbraw/zinc/09/74/34/560097434.db2.gz FFVOUGSHKMAYDI-UHFFFAOYSA-N 1 1 355.460 2.304 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)CC[NH+]1CCOCC1 ZINC000446048474 560138555 /nfs/dbraw/zinc/13/85/55/560138555.db2.gz UKQPTNLBQNDBFK-GFCCVEGCSA-N 1 1 355.822 2.397 20 5 FEBDMO Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000447306797 560159845 /nfs/dbraw/zinc/15/98/45/560159845.db2.gz SGQVVNSPFKOMFI-CQSZACIVSA-N 1 1 370.413 2.208 20 5 FEBDMO COCC[N@@H+]1CC[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000447816476 560169940 /nfs/dbraw/zinc/16/99/40/560169940.db2.gz JFGBITMDOOOLCX-SNVBAGLBSA-N 1 1 357.794 2.167 20 5 FEBDMO COCC[N@H+]1CC[C@@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000447816476 560169941 /nfs/dbraw/zinc/16/99/41/560169941.db2.gz JFGBITMDOOOLCX-SNVBAGLBSA-N 1 1 357.794 2.167 20 5 FEBDMO CCOC(=O)c1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]c1C ZINC000449029826 560213291 /nfs/dbraw/zinc/21/32/91/560213291.db2.gz PVJXDOGXUGXOSB-CYBMUJFWSA-N 1 1 373.413 2.489 20 5 FEBDMO CCOC(=O)c1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)[nH]c1C ZINC000449029826 560213293 /nfs/dbraw/zinc/21/32/93/560213293.db2.gz PVJXDOGXUGXOSB-CYBMUJFWSA-N 1 1 373.413 2.489 20 5 FEBDMO COc1cc(F)cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000449239543 560221242 /nfs/dbraw/zinc/22/12/42/560221242.db2.gz VUFIGQWFPKVZBW-UHFFFAOYSA-N 1 1 368.386 2.306 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000449456011 560230737 /nfs/dbraw/zinc/23/07/37/560230737.db2.gz RWQKDNRBOGXGEV-KRWDZBQOSA-N 1 1 352.387 2.005 20 5 FEBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CC1 ZINC000449782089 560239819 /nfs/dbraw/zinc/23/98/19/560239819.db2.gz YNZQSTNRXGHPBT-CQSZACIVSA-N 1 1 366.414 2.395 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000449785816 560240037 /nfs/dbraw/zinc/24/00/37/560240037.db2.gz JIFOFOYMMSAFGS-CYBMUJFWSA-N 1 1 362.455 2.217 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+]1C ZINC000449931060 560245733 /nfs/dbraw/zinc/24/57/33/560245733.db2.gz XWALEBNSBCUYBF-UKRRQHHQSA-N 1 1 357.414 2.335 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[N@H+]1C1CC1 ZINC000450071309 560249920 /nfs/dbraw/zinc/24/99/20/560249920.db2.gz BBRQMQCOHBILMT-GXTWGEPZSA-N 1 1 355.398 2.136 20 5 FEBDMO COc1ccc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000450229959 560254993 /nfs/dbraw/zinc/25/49/93/560254993.db2.gz FJYLQHIMSLYUTF-UHFFFAOYSA-N 1 1 357.414 2.414 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2CCCO)c(Br)c1 ZINC000450594324 560267393 /nfs/dbraw/zinc/26/73/93/560267393.db2.gz KIPIRTKMYBPHRK-SNVBAGLBSA-N 1 1 359.224 2.011 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2CCCO)c(Br)c1 ZINC000450594324 560267394 /nfs/dbraw/zinc/26/73/94/560267394.db2.gz KIPIRTKMYBPHRK-SNVBAGLBSA-N 1 1 359.224 2.011 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450595836 560267499 /nfs/dbraw/zinc/26/74/99/560267499.db2.gz MOGLOJUIXJJPGD-LBPRGKRZSA-N 1 1 369.393 2.169 20 5 FEBDMO O=C(Cn1c[nH+]c2c1CCCC2)Nc1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000450974149 560280824 /nfs/dbraw/zinc/28/08/24/560280824.db2.gz LXIDCNWJUGUQJN-UHFFFAOYSA-N 1 1 372.381 2.470 20 5 FEBDMO CC(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+]1C ZINC000451159768 560290670 /nfs/dbraw/zinc/29/06/70/560290670.db2.gz BUPWGGNIRKZMSY-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](C[C@H](O)COC3CCOCC3)C2)cc1 ZINC000451543479 560313481 /nfs/dbraw/zinc/31/34/81/560313481.db2.gz BYYMXQVWZADCLI-AEFFLSMTSA-N 1 1 364.442 2.331 20 5 FEBDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545198 560313593 /nfs/dbraw/zinc/31/35/93/560313593.db2.gz HABVVNYHVVASGT-JSGCOSHPSA-N 1 1 360.414 2.151 20 5 FEBDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545198 560313594 /nfs/dbraw/zinc/31/35/94/560313594.db2.gz HABVVNYHVVASGT-JSGCOSHPSA-N 1 1 360.414 2.151 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451558329 560314545 /nfs/dbraw/zinc/31/45/45/560314545.db2.gz GAGQYCWNIRRBLW-SWLSCSKDSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451694443 560322373 /nfs/dbraw/zinc/32/23/73/560322373.db2.gz KZMIHBVOUJUZFC-MGPQQGTHSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451694443 560322374 /nfs/dbraw/zinc/32/23/74/560322374.db2.gz KZMIHBVOUJUZFC-MGPQQGTHSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451804574 560329511 /nfs/dbraw/zinc/32/95/11/560329511.db2.gz BQQRNEVNWZDBIU-TZMCWYRMSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451804574 560329512 /nfs/dbraw/zinc/32/95/12/560329512.db2.gz BQQRNEVNWZDBIU-TZMCWYRMSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451896448 560335629 /nfs/dbraw/zinc/33/56/29/560335629.db2.gz GFPOQVHQJQMUGE-FZKQIMNGSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451896448 560335630 /nfs/dbraw/zinc/33/56/30/560335630.db2.gz GFPOQVHQJQMUGE-FZKQIMNGSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452798972 560374595 /nfs/dbraw/zinc/37/45/95/560374595.db2.gz POEFJTQSHMQGRA-CYBMUJFWSA-N 1 1 355.822 2.133 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000454107738 560429864 /nfs/dbraw/zinc/42/98/64/560429864.db2.gz RQCAOKYDBRWYFZ-OAHLLOKOSA-N 1 1 362.430 2.037 20 5 FEBDMO CCN1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)CC1 ZINC000456199327 560510685 /nfs/dbraw/zinc/51/06/85/560510685.db2.gz ZKMFGRYWXOPMQV-UHFFFAOYSA-N 1 1 363.462 2.381 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000458161525 560606233 /nfs/dbraw/zinc/60/62/33/560606233.db2.gz HFMIVZFJSTXFBX-LBPRGKRZSA-N 1 1 358.398 2.310 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000458417037 560621631 /nfs/dbraw/zinc/62/16/31/560621631.db2.gz IWZKAOGBUNQSGD-PBHICJAKSA-N 1 1 361.446 2.051 20 5 FEBDMO COc1ccc(-c2ccc(C[N@H+]3CCC[C@@](O)(CO)C3)o2)c([N+](=O)[O-])c1 ZINC000459717184 560704124 /nfs/dbraw/zinc/70/41/24/560704124.db2.gz MFRJGTZXECVSLG-SFHVURJKSA-N 1 1 362.382 2.183 20 5 FEBDMO Cc1cc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461788638 560783570 /nfs/dbraw/zinc/78/35/70/560783570.db2.gz YASCDDBRKLJKSB-OAHLLOKOSA-N 1 1 352.410 2.397 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713618 560915404 /nfs/dbraw/zinc/91/54/04/560915404.db2.gz MVPPIATZXHFMAN-QLJPJBMISA-N 1 1 356.382 2.061 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468151190 560923763 /nfs/dbraw/zinc/92/37/63/560923763.db2.gz WZMJXGHAOFQGIV-GOSISDBHSA-N 1 1 354.410 2.397 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000468151190 560923764 /nfs/dbraw/zinc/92/37/64/560923764.db2.gz WZMJXGHAOFQGIV-GOSISDBHSA-N 1 1 354.410 2.397 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470121625 560974836 /nfs/dbraw/zinc/97/48/36/560974836.db2.gz JETASWTTWOYSAH-UHFFFAOYSA-N 1 1 354.382 2.308 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000470176336 560976120 /nfs/dbraw/zinc/97/61/20/560976120.db2.gz WBRMAUXOYZIZJC-MBSJSRAVSA-N 1 1 367.471 2.259 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000472650009 561031972 /nfs/dbraw/zinc/03/19/72/561031972.db2.gz LJDXQKMMDVUZRE-UHFFFAOYSA-N 1 1 357.414 2.090 20 5 FEBDMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000473343018 561047956 /nfs/dbraw/zinc/04/79/56/561047956.db2.gz YMFXDOGRGWCSAX-UHFFFAOYSA-N 1 1 372.400 2.490 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000474808569 561083360 /nfs/dbraw/zinc/08/33/60/561083360.db2.gz KRNLOAZHGILQCB-UHFFFAOYSA-N 1 1 373.457 2.222 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000476798631 561128787 /nfs/dbraw/zinc/12/87/87/561128787.db2.gz PYIAIYXRBRXBHQ-UHFFFAOYSA-N 1 1 367.413 2.493 20 5 FEBDMO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662763 562419684 /nfs/dbraw/zinc/41/96/84/562419684.db2.gz NXUIKOHITLHVPX-ZOBUZTSGSA-N 1 1 351.447 2.139 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662763 562419685 /nfs/dbraw/zinc/41/96/85/562419685.db2.gz NXUIKOHITLHVPX-ZOBUZTSGSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662763 562419686 /nfs/dbraw/zinc/41/96/86/562419686.db2.gz NXUIKOHITLHVPX-ZOBUZTSGSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000530662763 562419687 /nfs/dbraw/zinc/41/96/87/562419687.db2.gz NXUIKOHITLHVPX-ZOBUZTSGSA-N 1 1 351.447 2.139 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000532046296 562465043 /nfs/dbraw/zinc/46/50/43/562465043.db2.gz WBPYBJRGBHQFEQ-OAHLLOKOSA-N 1 1 364.446 2.251 20 5 FEBDMO CNc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000532191672 562470437 /nfs/dbraw/zinc/47/04/37/562470437.db2.gz UDRSTZGRNITTJL-HZPDHXFCSA-N 1 1 362.430 2.010 20 5 FEBDMO CO[C@@H](C)C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C(C)C ZINC000532971695 562494134 /nfs/dbraw/zinc/49/41/34/562494134.db2.gz OABLNQRJRMANBL-NSHDSACASA-N 1 1 353.375 2.007 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000533265079 562503126 /nfs/dbraw/zinc/50/31/26/562503126.db2.gz LJUAMABUJOUUBO-AWEZNQCLSA-N 1 1 362.430 2.209 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000534494357 562535189 /nfs/dbraw/zinc/53/51/89/562535189.db2.gz BZCFALKRHAASLS-KRWDZBQOSA-N 1 1 371.441 2.305 20 5 FEBDMO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534959867 562546248 /nfs/dbraw/zinc/54/62/48/562546248.db2.gz NTXCVAULBUUUNF-HOCLYGCPSA-N 1 1 372.425 2.449 20 5 FEBDMO C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162335 562586845 /nfs/dbraw/zinc/58/68/45/562586845.db2.gz VDROBVQRGMRBBA-MGPUTAFESA-N 1 1 369.421 2.409 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000569109339 568277746 /nfs/dbraw/zinc/27/77/46/568277746.db2.gz ZKDXULBLDAFNPG-PIJNTSGSSA-N 1 1 357.414 2.419 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000569109340 568277758 /nfs/dbraw/zinc/27/77/58/568277758.db2.gz ZKDXULBLDAFNPG-QKAYDNCFSA-N 1 1 357.414 2.419 20 5 FEBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000570890773 568612638 /nfs/dbraw/zinc/61/26/38/568612638.db2.gz HHICGEQXPAQSCD-HNNXBMFYSA-N 1 1 357.414 2.053 20 5 FEBDMO Cc1[nH+]c2cc(Nc3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)ccc2n1C ZINC000822458626 599108935 /nfs/dbraw/zinc/10/89/35/599108935.db2.gz GGUMRQTUNRGPOM-UHFFFAOYSA-N 1 1 351.330 2.109 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000810376104 674542375 /nfs/dbraw/zinc/54/23/75/674542375.db2.gz KIMLGDAFEYMNJI-KRWDZBQOSA-N 1 1 353.394 2.302 20 5 FEBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOc1cccc(-c3nn[nH]n3)c1)C2 ZINC000826500239 607943426 /nfs/dbraw/zinc/94/34/26/607943426.db2.gz PPDRYBOYFNBWPT-UHFFFAOYSA-N 1 1 366.381 2.212 20 5 FEBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOc1cccc(-c3nn[nH]n3)c1)C2 ZINC000826500239 607943427 /nfs/dbraw/zinc/94/34/27/607943427.db2.gz PPDRYBOYFNBWPT-UHFFFAOYSA-N 1 1 366.381 2.212 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815022297 674899754 /nfs/dbraw/zinc/89/97/54/674899754.db2.gz NVTFZHXSRODAEY-SECBINFHSA-N 1 1 365.814 2.007 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)C ZINC000815034906 674904297 /nfs/dbraw/zinc/90/42/97/674904297.db2.gz GCYJAAXZQRKKKP-UHFFFAOYSA-N 1 1 367.830 2.396 20 5 FEBDMO C[C@@H](CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000572476970 671006893 /nfs/dbraw/zinc/00/68/93/671006893.db2.gz WEFUCEFREMLFIW-HNNXBMFYSA-N 1 1 369.487 2.223 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000572497104 671009921 /nfs/dbraw/zinc/00/99/21/671009921.db2.gz BSIXJZAZVIWHST-CYBMUJFWSA-N 1 1 352.410 2.467 20 5 FEBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3n[nH]cc3[N+](=O)[O-])C2)s1 ZINC000566059653 675176654 /nfs/dbraw/zinc/17/66/54/675176654.db2.gz QULPPEAABAEQLO-GFCCVEGCSA-N 1 1 363.443 2.282 20 5 FEBDMO CC(C)Oc1nc(N2CCC([N@@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000579258335 671723183 /nfs/dbraw/zinc/72/31/83/671723183.db2.gz JHVQPMRPBVYJSM-UHFFFAOYSA-N 1 1 352.435 2.060 20 5 FEBDMO CC(C)Oc1nc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000581142308 671867622 /nfs/dbraw/zinc/86/76/22/671867622.db2.gz LOHBCTHOYRRNQC-CYBMUJFWSA-N 1 1 352.435 2.058 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000120066043 671915555 /nfs/dbraw/zinc/91/55/55/671915555.db2.gz RAHIECVLMXVRBV-RISCZKNCSA-N 1 1 371.484 2.294 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000610135418 675956244 /nfs/dbraw/zinc/95/62/44/675956244.db2.gz RPNIGPWYNYLVOO-KGLIPLIRSA-N 1 1 355.460 2.397 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135142 675956330 /nfs/dbraw/zinc/95/63/30/675956330.db2.gz KFRZMQVSKTWMGJ-UONOGXRCSA-N 1 1 355.460 2.397 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000121781792 671957195 /nfs/dbraw/zinc/95/71/95/671957195.db2.gz GOUDPZTYWFWVHW-BETUJISGSA-N 1 1 353.394 2.224 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000121781792 671957197 /nfs/dbraw/zinc/95/71/97/671957197.db2.gz GOUDPZTYWFWVHW-BETUJISGSA-N 1 1 353.394 2.224 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000583810161 672128345 /nfs/dbraw/zinc/12/83/45/672128345.db2.gz YVDZBUHXPLTEDD-QGZVFWFLSA-N 1 1 367.471 2.264 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C[C@H](C)O1 ZINC000136227031 672137764 /nfs/dbraw/zinc/13/77/64/672137764.db2.gz FEGYWCIHJSTMQG-TXEJJXNPSA-N 1 1 355.822 2.477 20 5 FEBDMO CC(C)(CNC[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000584834941 672220306 /nfs/dbraw/zinc/22/03/06/672220306.db2.gz KBILTUCKXZHAHJ-HNNXBMFYSA-N 1 1 351.447 2.046 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000587983940 672443674 /nfs/dbraw/zinc/44/36/74/672443674.db2.gz UEHASCWCYAWNTP-SMDDNHRTSA-N 1 1 350.419 2.251 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000590309043 672571644 /nfs/dbraw/zinc/57/16/44/672571644.db2.gz HOUWFAKZDRDNCK-RNCFNFMXSA-N 1 1 361.320 2.063 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000590309043 672571662 /nfs/dbraw/zinc/57/16/62/672571662.db2.gz HOUWFAKZDRDNCK-RNCFNFMXSA-N 1 1 361.320 2.063 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611792689 676055432 /nfs/dbraw/zinc/05/54/32/676055432.db2.gz KBGINRJCYFWQOB-MRXNPFEDSA-N 1 1 366.849 2.162 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c(F)c1 ZINC000592370507 672793114 /nfs/dbraw/zinc/79/31/14/672793114.db2.gz JBIKERJWJONWND-ZDUSSCGKSA-N 1 1 366.370 2.058 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594789771 673143345 /nfs/dbraw/zinc/14/33/45/673143345.db2.gz KPXVFCPJENBWQO-LBPRGKRZSA-N 1 1 371.459 2.002 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000594792311 673144291 /nfs/dbraw/zinc/14/42/91/673144291.db2.gz PHDNTDACLDTIAQ-AWEZNQCLSA-N 1 1 369.487 2.177 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594854579 673165505 /nfs/dbraw/zinc/16/55/05/673165505.db2.gz RJPBNODOUNXTQJ-HNNXBMFYSA-N 1 1 367.471 2.421 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000594854671 673165555 /nfs/dbraw/zinc/16/55/55/673165555.db2.gz VGFVTSOXPWAHLQ-CYBMUJFWSA-N 1 1 353.444 2.280 20 5 FEBDMO CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](CC)C1 ZINC000595131798 673198734 /nfs/dbraw/zinc/19/87/34/673198734.db2.gz OYMDBVQUPQNIOM-GFCCVEGCSA-N 1 1 368.821 2.129 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC2CC=CC2)CC1 ZINC000595290987 673217632 /nfs/dbraw/zinc/21/76/32/673217632.db2.gz VPDSJUKAUITWJF-UHFFFAOYSA-N 1 1 365.455 2.176 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000595411097 673246113 /nfs/dbraw/zinc/24/61/13/673246113.db2.gz NUBDYMJGUHQSDP-ZDUSSCGKSA-N 1 1 371.434 2.134 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595411097 673246115 /nfs/dbraw/zinc/24/61/15/673246115.db2.gz NUBDYMJGUHQSDP-ZDUSSCGKSA-N 1 1 371.434 2.134 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CCC[N@@H+](C)C1 ZINC000596121269 673360784 /nfs/dbraw/zinc/36/07/84/673360784.db2.gz YSQLZSCNVOCVFX-CYBMUJFWSA-N 1 1 370.475 2.037 20 5 FEBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732811275 673383987 /nfs/dbraw/zinc/38/39/87/673383987.db2.gz QJCWIHUWBNBLOS-ZDUSSCGKSA-N 1 1 361.320 2.069 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732811275 673383992 /nfs/dbraw/zinc/38/39/92/673383992.db2.gz QJCWIHUWBNBLOS-ZDUSSCGKSA-N 1 1 361.320 2.069 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)CC2=CCSC2)cc1[N+](=O)[O-] ZINC000597243176 673459539 /nfs/dbraw/zinc/45/95/39/673459539.db2.gz GOOUEOUCMJEJAT-UHFFFAOYSA-N 1 1 352.412 2.252 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000598600594 673588338 /nfs/dbraw/zinc/58/83/38/673588338.db2.gz VDDVPRIPIZFCIP-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000543675782 673660994 /nfs/dbraw/zinc/66/09/94/673660994.db2.gz TWRHYYVIIDZMLR-UHFFFAOYSA-N 1 1 366.443 2.475 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1C ZINC000599414245 673672477 /nfs/dbraw/zinc/67/24/77/673672477.db2.gz BTWXUTCMQQNZLD-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464462 673678647 /nfs/dbraw/zinc/67/86/47/673678647.db2.gz LRODWFCNGPZUDN-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1[nH+]ccn1CCCn1cc([N+](=O)[O-])c(C)c(Br)c1=O ZINC000544075593 673687210 /nfs/dbraw/zinc/68/72/10/673687210.db2.gz KDBNMLPHTVXWTJ-UHFFFAOYSA-N 1 1 355.192 2.423 20 5 FEBDMO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146637 673694220 /nfs/dbraw/zinc/69/42/20/673694220.db2.gz TZRAOYMDCVNBJM-PMPSAXMXSA-N 1 1 351.447 2.139 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146637 673694221 /nfs/dbraw/zinc/69/42/21/673694221.db2.gz TZRAOYMDCVNBJM-PMPSAXMXSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146637 673694224 /nfs/dbraw/zinc/69/42/24/673694224.db2.gz TZRAOYMDCVNBJM-PMPSAXMXSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000544146637 673694226 /nfs/dbraw/zinc/69/42/26/673694226.db2.gz TZRAOYMDCVNBJM-PMPSAXMXSA-N 1 1 351.447 2.139 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000742139108 673708365 /nfs/dbraw/zinc/70/83/65/673708365.db2.gz TWVYBEIWDLLXPC-CYBMUJFWSA-N 1 1 353.394 2.446 20 5 FEBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCF)CC1 ZINC000600072161 673738583 /nfs/dbraw/zinc/73/85/83/673738583.db2.gz OCAVEOKCPJOXET-UHFFFAOYSA-N 1 1 352.410 2.291 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000600314229 673757842 /nfs/dbraw/zinc/75/78/42/673757842.db2.gz OEPQHINSXWJWGI-CYBMUJFWSA-N 1 1 367.471 2.141 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@@H]1C 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Cc1c(Cl)cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000919859769 683303822 /nfs/dbraw/zinc/30/38/22/683303822.db2.gz AIBNRKRTIRKOQB-NWDGAFQWSA-N 1 1 373.862 2.414 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798294666 683332400 /nfs/dbraw/zinc/33/24/00/683332400.db2.gz HPJXXODAFPHDBJ-SKDRFNHKSA-N 1 1 371.235 2.165 20 5 FEBDMO CCOc1ccc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000861341330 683391392 /nfs/dbraw/zinc/39/13/92/683391392.db2.gz PLVQEIQNWUMQNA-CXAGYDPISA-N 1 1 352.387 2.260 20 5 FEBDMO O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928102823 683393601 /nfs/dbraw/zinc/39/36/01/683393601.db2.gz OBKDSVLCCMVHTE-OCCSQVGLSA-N 1 1 367.496 2.383 20 5 FEBDMO O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928102823 683393608 /nfs/dbraw/zinc/39/36/08/683393608.db2.gz OBKDSVLCCMVHTE-OCCSQVGLSA-N 1 1 367.496 2.383 20 5 FEBDMO C[C@@H]1[C@@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928456115 683455640 /nfs/dbraw/zinc/45/56/40/683455640.db2.gz NTEWBRURSPVMHZ-SKDRFNHKSA-N 1 1 361.320 2.358 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000862098933 683529552 /nfs/dbraw/zinc/52/95/52/683529552.db2.gz IQBLJPWPVZWVAR-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@@H]1C ZINC000862098933 683529558 /nfs/dbraw/zinc/52/95/58/683529558.db2.gz IQBLJPWPVZWVAR-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO COc1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000930768804 683781951 /nfs/dbraw/zinc/78/19/51/683781951.db2.gz JYZPQANCYJFJIX-TZMCWYRMSA-N 1 1 366.443 2.305 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1C ZINC000872663870 685000159 /nfs/dbraw/zinc/00/01/59/685000159.db2.gz PEEPPFJUGXICMN-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1C ZINC000872663870 685000162 /nfs/dbraw/zinc/00/01/62/685000162.db2.gz PEEPPFJUGXICMN-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000910928806 685140397 /nfs/dbraw/zinc/14/03/97/685140397.db2.gz RVNMSEMPSVIZMR-CHWSQXEVSA-N 1 1 369.849 2.094 20 5 FEBDMO C[C@@]12C[NH+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC000877667171 686433361 /nfs/dbraw/zinc/43/33/61/686433361.db2.gz DYGWAFUFFAGUCB-GJZGRUSLSA-N 1 1 372.208 2.386 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](OC)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000879320618 686794777 /nfs/dbraw/zinc/79/47/77/686794777.db2.gz HXYRZBHBXVYTDA-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879320937 686794994 /nfs/dbraw/zinc/79/49/94/686794994.db2.gz KDTJAJRQQUFEIW-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000880495453 687054140 /nfs/dbraw/zinc/05/41/40/687054140.db2.gz HMZFOQKCYHJJLR-UONOGXRCSA-N 1 1 367.833 2.477 20 5 FEBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880500183 687054583 /nfs/dbraw/zinc/05/45/83/687054583.db2.gz UDVLVABYHCFDDJ-LSDHHAIUSA-N 1 1 367.833 2.477 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000882218753 687326935 /nfs/dbraw/zinc/32/69/35/687326935.db2.gz UFELIBSNTRREFP-HNNXBMFYSA-N 1 1 373.862 2.273 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000882501320 687379409 /nfs/dbraw/zinc/37/94/09/687379409.db2.gz RELCBUHIIYQZFT-WCQYABFASA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884958809 687975672 /nfs/dbraw/zinc/97/56/72/687975672.db2.gz DXGVFBAERVJNJD-NWDGAFQWSA-N 1 1 373.862 2.462 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000885857830 688170369 /nfs/dbraw/zinc/17/03/69/688170369.db2.gz IHAXSWTXDBVRPS-ZDUSSCGKSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889745028 688814889 /nfs/dbraw/zinc/81/48/89/688814889.db2.gz QWDOLJQJEXRCDC-CHWSQXEVSA-N 1 1 371.796 2.059 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1F ZINC000906200426 691241763 /nfs/dbraw/zinc/24/17/63/691241763.db2.gz GGSAEUMNJADQME-ZIAGYGMSSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1F ZINC000906200426 691241766 /nfs/dbraw/zinc/24/17/66/691241766.db2.gz GGSAEUMNJADQME-ZIAGYGMSSA-N 1 1 353.419 2.352 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000906458557 691271640 /nfs/dbraw/zinc/27/16/40/691271640.db2.gz GQYUSJLTQICUNX-GJZGRUSLSA-N 1 1 367.833 2.160 20 5 FEBDMO C[C@H]([C@H](C)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCOCC1 ZINC000906580681 691287534 /nfs/dbraw/zinc/28/75/34/691287534.db2.gz HLOVGNSCLOKHFZ-QWHCGFSZSA-N 1 1 369.849 2.406 20 5 FEBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC001164643074 719159703 /nfs/dbraw/zinc/15/97/03/719159703.db2.gz ZHGZTSMHPFTXPN-ZJUUUORDSA-N 1 1 356.810 2.349 20 5 FEBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001164643074 719159709 /nfs/dbraw/zinc/15/97/09/719159709.db2.gz ZHGZTSMHPFTXPN-ZJUUUORDSA-N 1 1 356.810 2.349 20 5 FEBDMO Cc1nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164868327 721048120 /nfs/dbraw/zinc/04/81/20/721048120.db2.gz NTSWVYCIQFWWAO-SJORKVTESA-N 1 1 369.425 2.173 20 5 FEBDMO Cc1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164867071 721063584 /nfs/dbraw/zinc/06/35/84/721063584.db2.gz HKZBHIGGRHLJQN-DLBZAZTESA-N 1 1 369.425 2.173 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932466 721858323 /nfs/dbraw/zinc/85/83/23/721858323.db2.gz XZSQQONGHBSNNC-MSOLQXFVSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932466 721858325 /nfs/dbraw/zinc/85/83/25/721858325.db2.gz XZSQQONGHBSNNC-MSOLQXFVSA-N 1 1 355.442 2.358 20 5 FEBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Cn3cnc([N+](=O)[O-])c3)CC2)cc1 ZINC000026123328 539777326 /nfs/dbraw/zinc/77/73/26/539777326.db2.gz OXKCWZJWRRQKPS-UHFFFAOYSA-N 1 1 371.441 2.259 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032441117 539939103 /nfs/dbraw/zinc/93/91/03/539939103.db2.gz ISYLGAQFYKQYQX-STQMWFEESA-N 1 1 371.459 2.145 20 5 FEBDMO Cc1cccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)c1[N+](=O)[O-] ZINC000036758113 539994022 /nfs/dbraw/zinc/99/40/22/539994022.db2.gz WQTHWTAALOAUMG-UHFFFAOYSA-N 1 1 368.437 2.455 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000041443474 540021810 /nfs/dbraw/zinc/02/18/10/540021810.db2.gz PZFXAXOQINPNTO-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041787918 540032797 /nfs/dbraw/zinc/03/27/97/540032797.db2.gz WZSCVISBBOFCRB-AWEZNQCLSA-N 1 1 362.430 2.162 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000042654833 540072713 /nfs/dbraw/zinc/07/27/13/540072713.db2.gz WKPPBUAOSZZUTJ-UHFFFAOYSA-N 1 1 354.410 2.351 20 5 FEBDMO CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000042685842 540073884 /nfs/dbraw/zinc/07/38/84/540073884.db2.gz IZBOLSWPQDVIKF-CYBMUJFWSA-N 1 1 362.430 2.160 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000049131550 540381723 /nfs/dbraw/zinc/38/17/23/540381723.db2.gz ARGMUGVKVNFEDQ-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051735960 540441751 /nfs/dbraw/zinc/44/17/51/540441751.db2.gz AEJFSSHNWOPUEN-ZDUSSCGKSA-N 1 1 363.439 2.478 20 5 FEBDMO CCOc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000053275156 540523176 /nfs/dbraw/zinc/52/31/76/540523176.db2.gz ZAWGWYHEYRIVRM-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO CNC(=O)c1ccc(NCC[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000053557670 540543126 /nfs/dbraw/zinc/54/31/26/540543126.db2.gz KMDAGRRXVXWIJC-UHFFFAOYSA-N 1 1 354.410 2.425 20 5 FEBDMO CNC(=O)c1ccc(N2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000053551955 540542755 /nfs/dbraw/zinc/54/27/55/540542755.db2.gz ZQLPBSSOPZOGIP-UHFFFAOYSA-N 1 1 360.439 2.338 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3OCCO3)C2)cccc1[N+](=O)[O-] ZINC000076294539 542256797 /nfs/dbraw/zinc/25/67/97/542256797.db2.gz UMUSQQIOZLQFMG-KGLIPLIRSA-N 1 1 363.414 2.315 20 5 FEBDMO C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000057288333 540786529 /nfs/dbraw/zinc/78/65/29/540786529.db2.gz MIRVIGZJBJPSBD-INIZCTEOSA-N 1 1 374.466 2.375 20 5 FEBDMO Cc1c(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000057700811 540808887 /nfs/dbraw/zinc/80/88/87/540808887.db2.gz YFYGJVWJIISNCH-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO C[N@@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000064244245 541197260 /nfs/dbraw/zinc/19/72/60/541197260.db2.gz RESUBPJWQRTROY-UHFFFAOYSA-N 1 1 369.468 2.457 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000065424200 541237235 /nfs/dbraw/zinc/23/72/35/541237235.db2.gz YMRVXNAMPJWESZ-LBPRGKRZSA-N 1 1 351.403 2.431 20 5 FEBDMO O=C(c1cc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000066745782 541368593 /nfs/dbraw/zinc/36/85/93/541368593.db2.gz SAVTVTQTJMAYIM-MRXNPFEDSA-N 1 1 374.441 2.106 20 5 FEBDMO O=C(c1cc(NC[C@@H]2C[N@H+](C3CC3)CCO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000066745782 541368596 /nfs/dbraw/zinc/36/85/96/541368596.db2.gz SAVTVTQTJMAYIM-MRXNPFEDSA-N 1 1 374.441 2.106 20 5 FEBDMO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@H+]1CCCC[C@@H]1C ZINC000067137134 541422577 /nfs/dbraw/zinc/42/25/77/541422577.db2.gz WBMNLXQEQCKGID-KBPBESRZSA-N 1 1 372.429 2.168 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000067398282 541457641 /nfs/dbraw/zinc/45/76/41/541457641.db2.gz RTLDUQBARJXQEQ-GXTWGEPZSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1c(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)cccc1[N+](=O)[O-] ZINC000068317647 541576250 /nfs/dbraw/zinc/57/62/50/541576250.db2.gz WYHKIJATVLTZKU-UHFFFAOYSA-N 1 1 355.398 2.302 20 5 FEBDMO O=C([C@@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1)N1CCSCC1 ZINC000068554851 541609110 /nfs/dbraw/zinc/60/91/10/541609110.db2.gz QMCVJOKBDVPXTQ-INIZCTEOSA-N 1 1 365.455 2.013 20 5 FEBDMO O=C([C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1)N1CCSCC1 ZINC000068554851 541609113 /nfs/dbraw/zinc/60/91/13/541609113.db2.gz QMCVJOKBDVPXTQ-INIZCTEOSA-N 1 1 365.455 2.013 20 5 FEBDMO Cc1sc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000069743855 541709431 /nfs/dbraw/zinc/70/94/31/541709431.db2.gz VKNNYMPFMAUQAG-CYBMUJFWSA-N 1 1 353.444 2.149 20 5 FEBDMO Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665344 541847310 /nfs/dbraw/zinc/84/73/10/541847310.db2.gz MVDIYCMUYKBOGG-MRXNPFEDSA-N 1 1 369.425 2.101 20 5 FEBDMO Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665344 541847311 /nfs/dbraw/zinc/84/73/11/541847311.db2.gz MVDIYCMUYKBOGG-MRXNPFEDSA-N 1 1 369.425 2.101 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000072716662 541856222 /nfs/dbraw/zinc/85/62/22/541856222.db2.gz HFBIVZHHVQTHAA-HNNXBMFYSA-N 1 1 367.471 2.256 20 5 FEBDMO COCCOC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072796546 541866220 /nfs/dbraw/zinc/86/62/20/541866220.db2.gz ZMASOWQBIFZISJ-GJZGRUSLSA-N 1 1 365.430 2.215 20 5 FEBDMO COC(=O)CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000074321210 542069242 /nfs/dbraw/zinc/06/92/42/542069242.db2.gz NVYDTJQFFXATMY-UHFFFAOYSA-N 1 1 357.794 2.460 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(CO)Cc4ccccc4C3)n2)cc1 ZINC000074325815 542070631 /nfs/dbraw/zinc/07/06/31/542070631.db2.gz QIIJLUUXBBECLW-UHFFFAOYSA-N 1 1 366.377 2.264 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000076802256 542322648 /nfs/dbraw/zinc/32/26/48/542322648.db2.gz ZNZBFOBFUXONIF-HNNXBMFYSA-N 1 1 368.437 2.400 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000077359316 542372901 /nfs/dbraw/zinc/37/29/01/542372901.db2.gz AJWDUOUXEISILW-UHFFFAOYSA-N 1 1 371.441 2.420 20 5 FEBDMO Nc1nc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000071951282 221390559 /nfs/dbraw/zinc/39/05/59/221390559.db2.gz WWTDTFLNJYCJFE-UHFFFAOYSA-N 1 1 362.821 2.333 20 5 FEBDMO Nc1nc(N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-] ZINC000071951282 221390562 /nfs/dbraw/zinc/39/05/62/221390562.db2.gz WWTDTFLNJYCJFE-UHFFFAOYSA-N 1 1 362.821 2.333 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000079709689 542538288 /nfs/dbraw/zinc/53/82/88/542538288.db2.gz ILVQLWMDQJOWBY-WBVHZDCISA-N 1 1 371.441 2.351 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000080961360 542619249 /nfs/dbraw/zinc/61/92/49/542619249.db2.gz UUTMFMRWADNCEP-XJKSGUPXSA-N 1 1 355.398 2.303 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@H](c3ncc[nH]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000080961360 542619253 /nfs/dbraw/zinc/61/92/53/542619253.db2.gz UUTMFMRWADNCEP-XJKSGUPXSA-N 1 1 355.398 2.303 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000089265927 542759344 /nfs/dbraw/zinc/75/93/44/542759344.db2.gz NKLXPOAOGOCTPC-ZDUSSCGKSA-N 1 1 358.398 2.217 20 5 FEBDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000089681936 542769156 /nfs/dbraw/zinc/76/91/56/542769156.db2.gz CIBAGQLKNJUDSS-QZTJIDSGSA-N 1 1 370.409 2.352 20 5 FEBDMO CC[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)[N@H+]1CCc2ccccc2C1 ZINC000098104385 543021526 /nfs/dbraw/zinc/02/15/26/543021526.db2.gz WGVVKROBAOBZET-MRXNPFEDSA-N 1 1 371.441 2.203 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000103285322 543101406 /nfs/dbraw/zinc/10/14/06/543101406.db2.gz SVVBULWKLPMHLG-VHSXEESVSA-N 1 1 373.356 2.291 20 5 FEBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000106478838 543231485 /nfs/dbraw/zinc/23/14/85/543231485.db2.gz HLXAMIQVSAXPLA-OAHLLOKOSA-N 1 1 355.442 2.359 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1[N+](=O)[O-] ZINC000109108181 543314191 /nfs/dbraw/zinc/31/41/91/543314191.db2.gz FSWOEFQWGDEJEC-HNNXBMFYSA-N 1 1 363.462 2.411 20 5 FEBDMO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000111911551 543425248 /nfs/dbraw/zinc/42/52/48/543425248.db2.gz ZVKBWUZFQQYBIU-AWEZNQCLSA-N 1 1 370.409 2.170 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000114467543 543518351 /nfs/dbraw/zinc/51/83/51/543518351.db2.gz QHZIFJVIEYKWKT-PXNSSMCTSA-N 1 1 372.421 2.316 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114644932 543527559 /nfs/dbraw/zinc/52/75/59/543527559.db2.gz WGWHONQOYQLOEC-QGZVFWFLSA-N 1 1 371.441 2.271 20 5 FEBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000121405406 543694104 /nfs/dbraw/zinc/69/41/04/543694104.db2.gz LIHKKKPJGPSTMR-LLVKDONJSA-N 1 1 356.810 2.338 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3c([N+](=O)[O-])cnn3C)c2)C[C@H](C)O1 ZINC000123757913 543781395 /nfs/dbraw/zinc/78/13/95/543781395.db2.gz XYODILRSOFUDEP-BETUJISGSA-N 1 1 373.413 2.190 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3c([N+](=O)[O-])cnn3C)c2)C[C@H](C)O1 ZINC000123757913 543781397 /nfs/dbraw/zinc/78/13/97/543781397.db2.gz XYODILRSOFUDEP-BETUJISGSA-N 1 1 373.413 2.190 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000126423642 543935294 /nfs/dbraw/zinc/93/52/94/543935294.db2.gz NRNKLDDYCFRJFX-UHFFFAOYSA-N 1 1 359.423 2.277 20 5 FEBDMO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128115766 544033373 /nfs/dbraw/zinc/03/33/73/544033373.db2.gz SHXGJYGLRSLRPK-GFCCVEGCSA-N 1 1 374.363 2.492 20 5 FEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCN1CC(F)(F)F ZINC000128115766 544033375 /nfs/dbraw/zinc/03/33/75/544033375.db2.gz SHXGJYGLRSLRPK-GFCCVEGCSA-N 1 1 374.363 2.492 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000128506635 544056563 /nfs/dbraw/zinc/05/65/63/544056563.db2.gz YKLCGZSHDDFEKK-UHFFFAOYSA-N 1 1 363.462 2.365 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCS3(=O)=O)cs2)c1 ZINC000131675641 544201066 /nfs/dbraw/zinc/20/10/66/544201066.db2.gz DKMTZYBCFHNFOV-AWEZNQCLSA-N 1 1 367.452 2.385 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000131795921 544207233 /nfs/dbraw/zinc/20/72/33/544207233.db2.gz WEYJTVOTZWSRGR-WMLDXEAASA-N 1 1 371.441 2.127 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000132556544 544235732 /nfs/dbraw/zinc/23/57/32/544235732.db2.gz ZHECGPHJDOAVIT-UHFFFAOYSA-N 1 1 351.451 2.464 20 5 FEBDMO CC[C@]1(C)C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000135630263 544357189 /nfs/dbraw/zinc/35/71/89/544357189.db2.gz ILGLJAPZRSWLHZ-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000247517144 549348469 /nfs/dbraw/zinc/34/84/69/549348469.db2.gz NAOCYMSDVUHLMT-IXDOHACOSA-N 1 1 366.462 2.212 20 5 FEBDMO C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247516479 549348491 /nfs/dbraw/zinc/34/84/91/549348491.db2.gz ZMAWSPILFPVGSO-BARDWOONSA-N 1 1 361.446 2.264 20 5 FEBDMO Cc1ccc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1C ZINC000152641468 544677399 /nfs/dbraw/zinc/67/73/99/544677399.db2.gz MSGMNKLNKFTRAM-UHFFFAOYSA-N 1 1 356.426 2.196 20 5 FEBDMO CCOc1ccc([C@H](C)[NH2+]CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000152660570 544680517 /nfs/dbraw/zinc/68/05/17/544680517.db2.gz LFXVQSVRQODYQA-HNNXBMFYSA-N 1 1 350.463 2.282 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000153007542 544721921 /nfs/dbraw/zinc/72/19/21/544721921.db2.gz VNXWVFLTRSDQJI-OLZOCXBDSA-N 1 1 351.403 2.167 20 5 FEBDMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000153312917 544759266 /nfs/dbraw/zinc/75/92/66/544759266.db2.gz LBROGZTZNMRNQQ-UHFFFAOYSA-N 1 1 368.393 2.081 20 5 FEBDMO Cc1cccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1[N+](=O)[O-] ZINC000154153669 544871526 /nfs/dbraw/zinc/87/15/26/544871526.db2.gz VQKWTIAOTDLCSE-SJPCQFCGSA-N 1 1 372.469 2.286 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000154383185 544898333 /nfs/dbraw/zinc/89/83/33/544898333.db2.gz CAOWUYMXMQWYTH-HNNXBMFYSA-N 1 1 362.430 2.175 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000155187175 545000174 /nfs/dbraw/zinc/00/01/74/545000174.db2.gz OBUNAZGXTLSAMG-CQSZACIVSA-N 1 1 362.430 2.062 20 5 FEBDMO Cc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000155192777 545000641 /nfs/dbraw/zinc/00/06/41/545000641.db2.gz UOYMCNAVWKVTSB-WFASDCNBSA-N 1 1 362.386 2.368 20 5 FEBDMO CC(C)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000552579623 674215663 /nfs/dbraw/zinc/21/56/63/674215663.db2.gz NVWOWJLLRCODRD-CQSZACIVSA-N 1 1 355.460 2.336 20 5 FEBDMO CC[NH+]1CCN(C(=O)CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553035084 674234970 /nfs/dbraw/zinc/23/49/70/674234970.db2.gz ASKOZNNJSGJTMA-UHFFFAOYSA-N 1 1 361.229 2.478 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188628893 328099983 /nfs/dbraw/zinc/09/99/83/328099983.db2.gz LVMKSIMTNXDHDL-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188628893 328099984 /nfs/dbraw/zinc/09/99/84/328099984.db2.gz LVMKSIMTNXDHDL-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1CC(C)(C)O ZINC000188617820 328098921 /nfs/dbraw/zinc/09/89/21/328098921.db2.gz YVHWURNSDZCBBU-ZDUSSCGKSA-N 1 1 372.425 2.060 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000189877204 328173153 /nfs/dbraw/zinc/17/31/53/328173153.db2.gz ATXAWFFIYKKIAC-UHFFFAOYSA-N 1 1 367.471 2.453 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000189877204 328173154 /nfs/dbraw/zinc/17/31/54/328173154.db2.gz ATXAWFFIYKKIAC-UHFFFAOYSA-N 1 1 367.471 2.453 20 5 FEBDMO CNS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000190306992 328199215 /nfs/dbraw/zinc/19/92/15/328199215.db2.gz NPFYVIMMAADMAI-UHFFFAOYSA-N 1 1 373.818 2.147 20 5 FEBDMO CCc1n[nH]c(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000190708544 328226554 /nfs/dbraw/zinc/22/65/54/328226554.db2.gz AIKKSUOKZRGNDS-UHFFFAOYSA-N 1 1 372.429 2.484 20 5 FEBDMO CCc1nc(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000190708544 328226556 /nfs/dbraw/zinc/22/65/56/328226556.db2.gz AIKKSUOKZRGNDS-UHFFFAOYSA-N 1 1 372.429 2.484 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000191842747 328284375 /nfs/dbraw/zinc/28/43/75/328284375.db2.gz KHLAHZDDTLOVGH-DZGCQCFKSA-N 1 1 357.414 2.204 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000192334161 328313993 /nfs/dbraw/zinc/31/39/93/328313993.db2.gz GZMPCUMKMUMQFZ-UHFFFAOYSA-N 1 1 374.235 2.055 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000192758070 328338152 /nfs/dbraw/zinc/33/81/52/328338152.db2.gz VFTUPZUOAIJLNU-INIZCTEOSA-N 1 1 359.430 2.298 20 5 FEBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193641433 328387216 /nfs/dbraw/zinc/38/72/16/328387216.db2.gz HCBUEFNXHNIWCS-SDDRHHMPSA-N 1 1 352.822 2.069 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000194487486 328427199 /nfs/dbraw/zinc/42/71/99/328427199.db2.gz RVJXIXONPIXPPQ-ZIAGYGMSSA-N 1 1 364.446 2.282 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000237109697 328504886 /nfs/dbraw/zinc/50/48/86/328504886.db2.gz GYHSRPJDORIHBY-UHFFFAOYSA-N 1 1 355.441 2.196 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081569683 325184363 /nfs/dbraw/zinc/18/43/63/325184363.db2.gz CDUHAXAXZSRNRQ-HNNXBMFYSA-N 1 1 360.458 2.148 20 5 FEBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cnn(-c2ccccc2)c1 ZINC000090511852 325361621 /nfs/dbraw/zinc/36/16/21/325361621.db2.gz PTEZNDNVYLWEBH-UHFFFAOYSA-N 1 1 353.382 2.074 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cnn(-c2ccccc2)c1 ZINC000090511852 325361624 /nfs/dbraw/zinc/36/16/24/325361624.db2.gz PTEZNDNVYLWEBH-UHFFFAOYSA-N 1 1 353.382 2.074 20 5 FEBDMO COCCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000116885892 326040002 /nfs/dbraw/zinc/04/00/02/326040002.db2.gz BDOQAIFWNIYNNX-AWEZNQCLSA-N 1 1 365.430 2.358 20 5 FEBDMO COCCOC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000116886764 326040047 /nfs/dbraw/zinc/04/00/47/326040047.db2.gz NSHIEVWOSZGYOX-UHFFFAOYSA-N 1 1 362.386 2.272 20 5 FEBDMO COCCOC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000116884839 326040168 /nfs/dbraw/zinc/04/01/68/326040168.db2.gz WXHPHNZFCNGHAI-UHFFFAOYSA-N 1 1 362.386 2.272 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119031915 326120014 /nfs/dbraw/zinc/12/00/14/326120014.db2.gz DHBBFMCFCDHBNR-HNNXBMFYSA-N 1 1 372.429 2.236 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000119785262 326197981 /nfs/dbraw/zinc/19/79/81/326197981.db2.gz FKBZKQZKFSUGDD-LBPRGKRZSA-N 1 1 355.822 2.317 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000119960906 326216176 /nfs/dbraw/zinc/21/61/76/326216176.db2.gz BFBOLRFQDHPRAR-CQSZACIVSA-N 1 1 362.430 2.175 20 5 FEBDMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000119959540 326216213 /nfs/dbraw/zinc/21/62/13/326216213.db2.gz IDXBONJOFCOCTI-AWEZNQCLSA-N 1 1 350.419 2.132 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000120254824 326244197 /nfs/dbraw/zinc/24/41/97/326244197.db2.gz BQAKVTJEHXDBJR-HNNXBMFYSA-N 1 1 362.430 2.398 20 5 FEBDMO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000120408853 326256509 /nfs/dbraw/zinc/25/65/09/326256509.db2.gz VRMKPBAEYWNEIZ-QGZVFWFLSA-N 1 1 371.397 2.415 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121490887 326342498 /nfs/dbraw/zinc/34/24/98/326342498.db2.gz NBIYJBZDGFPCKL-CQSZACIVSA-N 1 1 362.430 2.141 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000121610560 326351928 /nfs/dbraw/zinc/35/19/28/326351928.db2.gz PKONERWFIYQWLE-DGCLKSJQSA-N 1 1 371.484 2.294 20 5 FEBDMO CCC[C@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000121974890 326379189 /nfs/dbraw/zinc/37/91/89/326379189.db2.gz PFINSQCGGXGBSM-ROUUACIJSA-N 1 1 351.447 2.061 20 5 FEBDMO O=C(C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1)N1CCOCC1 ZINC000122116718 326384344 /nfs/dbraw/zinc/38/43/44/326384344.db2.gz FIDDYHOBNRVNBR-UHFFFAOYSA-N 1 1 367.833 2.319 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000122352265 326393608 /nfs/dbraw/zinc/39/36/08/326393608.db2.gz JHTBPTUYQPPIEZ-FZMZJTMJSA-N 1 1 373.862 2.353 20 5 FEBDMO CCc1n[nH]c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000171370925 327135384 /nfs/dbraw/zinc/13/53/84/327135384.db2.gz YKPZXTVYBJPASX-UHFFFAOYSA-N 1 1 357.414 2.059 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000173256095 327244340 /nfs/dbraw/zinc/24/43/40/327244340.db2.gz AZRWXCJAUOXMSN-HIFRSBDPSA-N 1 1 355.460 2.254 20 5 FEBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000173273486 327245742 /nfs/dbraw/zinc/24/57/42/327245742.db2.gz BBYXBYIHDGRJLQ-GHMZBOCLSA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1nn(C)c2ncc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc12 ZINC000173465034 327259120 /nfs/dbraw/zinc/25/91/20/327259120.db2.gz YJYRRIQBKGQSCR-AWEZNQCLSA-N 1 1 367.413 2.266 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000173830874 327287368 /nfs/dbraw/zinc/28/73/68/327287368.db2.gz BVRABYTUQSHBEA-UKRRQHHQSA-N 1 1 353.444 2.151 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173865655 327289951 /nfs/dbraw/zinc/28/99/51/327289951.db2.gz DZVWFSIMLZPGIG-OAHLLOKOSA-N 1 1 367.471 2.446 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174156521 327309482 /nfs/dbraw/zinc/30/94/82/327309482.db2.gz BMEVGFSINJHDEQ-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[N@H+]1C[C@@H](C)O ZINC000175280256 327384347 /nfs/dbraw/zinc/38/43/47/327384347.db2.gz IBWGYLOABXOEAL-ZIAGYGMSSA-N 1 1 350.419 2.212 20 5 FEBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261893680 328827630 /nfs/dbraw/zinc/82/76/30/328827630.db2.gz FWIGDLLAHVSQMP-QGZVFWFLSA-N 1 1 355.394 2.319 20 5 FEBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000262103213 328842497 /nfs/dbraw/zinc/84/24/97/328842497.db2.gz ZKXZTFOVCCGSBH-KRWDZBQOSA-N 1 1 370.409 2.188 20 5 FEBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000264428948 329021979 /nfs/dbraw/zinc/02/19/79/329021979.db2.gz TZOZTRWBKJHKFH-OAHLLOKOSA-N 1 1 355.442 2.359 20 5 FEBDMO Cc1cc(NC[C@@H]2C[N@H+](C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264716659 329052267 /nfs/dbraw/zinc/05/22/67/329052267.db2.gz HEDMNHWCLDSYCV-MRXNPFEDSA-N 1 1 356.430 2.018 20 5 FEBDMO Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264716659 329052271 /nfs/dbraw/zinc/05/22/71/329052271.db2.gz HEDMNHWCLDSYCV-MRXNPFEDSA-N 1 1 356.430 2.018 20 5 FEBDMO Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264716659 329052272 /nfs/dbraw/zinc/05/22/72/329052272.db2.gz HEDMNHWCLDSYCV-MRXNPFEDSA-N 1 1 356.430 2.018 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCC3)CC2)cc1OC ZINC000264994695 329081375 /nfs/dbraw/zinc/08/13/75/329081375.db2.gz ROXDFONGPCJQKQ-UHFFFAOYSA-N 1 1 363.414 2.312 20 5 FEBDMO COC(=O)[C@H]1CC12CC[NH+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000265089601 329089481 /nfs/dbraw/zinc/08/94/81/329089481.db2.gz ULEXHULRSARHNO-CQSZACIVSA-N 1 1 372.381 2.420 20 5 FEBDMO CSc1ccc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000266482879 329228131 /nfs/dbraw/zinc/22/81/31/329228131.db2.gz QPPIXZFHUWYPHI-UHFFFAOYSA-N 1 1 361.427 2.013 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCN(C)CC1 ZINC000266545044 329234684 /nfs/dbraw/zinc/23/46/84/329234684.db2.gz JPCUGFKHXDGSSW-INIZCTEOSA-N 1 1 368.865 2.250 20 5 FEBDMO CNC(=O)c1ccc(C[N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000266563042 329236456 /nfs/dbraw/zinc/23/64/56/329236456.db2.gz YGEWXFYWNKIIGW-UHFFFAOYSA-N 1 1 373.409 2.474 20 5 FEBDMO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000266818013 329262574 /nfs/dbraw/zinc/26/25/74/329262574.db2.gz XIABUWWWCQTWIJ-GXTWGEPZSA-N 1 1 350.419 2.228 20 5 FEBDMO CS[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1N(C)C ZINC000275662755 330075659 /nfs/dbraw/zinc/07/56/59/330075659.db2.gz WBOGKNWGEXTDQP-LSDHHAIUSA-N 1 1 370.450 2.040 20 5 FEBDMO CS[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1N(C)C ZINC000275662755 330075660 /nfs/dbraw/zinc/07/56/60/330075660.db2.gz WBOGKNWGEXTDQP-LSDHHAIUSA-N 1 1 370.450 2.040 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000275784140 330088455 /nfs/dbraw/zinc/08/84/55/330088455.db2.gz ILFTXKGTEWABPA-LLVKDONJSA-N 1 1 354.382 2.043 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000367231705 330233702 /nfs/dbraw/zinc/23/37/02/330233702.db2.gz QKQPLHVCPCWJQQ-CQSZACIVSA-N 1 1 362.304 2.401 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000367231705 330233703 /nfs/dbraw/zinc/23/37/03/330233703.db2.gz QKQPLHVCPCWJQQ-CQSZACIVSA-N 1 1 362.304 2.401 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369327427 330239816 /nfs/dbraw/zinc/23/98/16/330239816.db2.gz RTZGLAGAUATRRI-MRXNPFEDSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369327427 330239817 /nfs/dbraw/zinc/23/98/17/330239817.db2.gz RTZGLAGAUATRRI-MRXNPFEDSA-N 1 1 360.458 2.144 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426247451 330271727 /nfs/dbraw/zinc/27/17/27/330271727.db2.gz CKRXPCLXQYQLRD-HUUCEWRRSA-N 1 1 351.403 2.167 20 5 FEBDMO NC(=O)C[N@@H+]1CCc2ccc(NCc3ccc([N+](=O)[O-])cc3F)cc2C1 ZINC000433190795 330275765 /nfs/dbraw/zinc/27/57/65/330275765.db2.gz RVDDEALMLIBCSO-UHFFFAOYSA-N 1 1 358.373 2.189 20 5 FEBDMO NC(=O)C[N@H+]1CCc2ccc(NCc3ccc([N+](=O)[O-])cc3F)cc2C1 ZINC000433190795 330275766 /nfs/dbraw/zinc/27/57/66/330275766.db2.gz RVDDEALMLIBCSO-UHFFFAOYSA-N 1 1 358.373 2.189 20 5 FEBDMO Cc1cnc(CC[N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000157527737 545751839 /nfs/dbraw/zinc/75/18/39/545751839.db2.gz PVMDQNRPBURKJZ-AWEZNQCLSA-N 1 1 351.428 2.274 20 5 FEBDMO CCC(=O)c1ccc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000479965304 561200362 /nfs/dbraw/zinc/20/03/62/561200362.db2.gz PSFSWTZZXBKJCR-AWEZNQCLSA-N 1 1 362.430 2.187 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000176288110 546427750 /nfs/dbraw/zinc/42/77/50/546427750.db2.gz ZBTPHQSQRUFHGA-INIZCTEOSA-N 1 1 357.414 2.076 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176490935 546453474 /nfs/dbraw/zinc/45/34/74/546453474.db2.gz JUVHTEDSAIUOJR-ZDUSSCGKSA-N 1 1 368.865 2.252 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480989260 561222356 /nfs/dbraw/zinc/22/23/56/561222356.db2.gz XZQURMSXDXAYND-CQSZACIVSA-N 1 1 355.460 2.364 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000179473768 546960637 /nfs/dbraw/zinc/96/06/37/546960637.db2.gz PPFGVSPBNZFANO-IRXDYDNUSA-N 1 1 368.393 2.095 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000179554411 546977213 /nfs/dbraw/zinc/97/72/13/546977213.db2.gz TUQBKJWJDOYDTK-AWEZNQCLSA-N 1 1 372.425 2.230 20 5 FEBDMO COc1cc(C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000482506573 561255066 /nfs/dbraw/zinc/25/50/66/561255066.db2.gz ZTPONFXLUWPTLW-GFCCVEGCSA-N 1 1 365.430 2.349 20 5 FEBDMO O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000180747062 547172004 /nfs/dbraw/zinc/17/20/04/547172004.db2.gz NNPRTYIBWMWODO-HDICACEKSA-N 1 1 365.389 2.212 20 5 FEBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000180830841 547187404 /nfs/dbraw/zinc/18/74/04/547187404.db2.gz MQUKCDAEPDZMBC-CQSZACIVSA-N 1 1 363.439 2.394 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000180866245 547197240 /nfs/dbraw/zinc/19/72/40/547197240.db2.gz REOXSDDYRZLNPN-YOEHRIQHSA-N 1 1 357.414 2.434 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1C ZINC000181162747 547261770 /nfs/dbraw/zinc/26/17/70/547261770.db2.gz OPNMNGZPTVJOQF-IGCXYCKISA-N 1 1 360.414 2.029 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181449294 547316266 /nfs/dbraw/zinc/31/62/66/547316266.db2.gz RGUWDMQMAFEZFM-DCGLDWPTSA-N 1 1 365.430 2.413 20 5 FEBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCC[NH+]1CCOCC1 ZINC000181680523 547359025 /nfs/dbraw/zinc/35/90/25/547359025.db2.gz CRWFQPCOFRQARB-UHFFFAOYSA-N 1 1 373.862 2.179 20 5 FEBDMO CC(C)[C@@H](CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000182498334 547503396 /nfs/dbraw/zinc/50/33/96/547503396.db2.gz XHZQCRTXRZKDOK-CXAGYDPISA-N 1 1 367.421 2.310 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H]1c1ccccc1 ZINC000182777555 547550782 /nfs/dbraw/zinc/55/07/82/547550782.db2.gz DKYZIZZLUDFQBN-PBHICJAKSA-N 1 1 369.377 2.499 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])s1 ZINC000183461435 547665459 /nfs/dbraw/zinc/66/54/59/547665459.db2.gz YIRRJRCUGNIPET-AWEZNQCLSA-N 1 1 361.423 2.153 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000183782891 547718281 /nfs/dbraw/zinc/71/82/81/547718281.db2.gz BSCGCSUBJNHFMB-LJQANCHMSA-N 1 1 369.421 2.020 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185599828 548007155 /nfs/dbraw/zinc/00/71/55/548007155.db2.gz VCSSGSADSCAMPF-GFCCVEGCSA-N 1 1 366.443 2.152 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+](CCO)CC2CCCCC2)cc1 ZINC000485853960 561329917 /nfs/dbraw/zinc/32/99/17/561329917.db2.gz LITCHKPTTDUJKU-UHFFFAOYSA-N 1 1 370.471 2.243 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+](CCO)CC2CCCCC2)cc1 ZINC000485853960 561329918 /nfs/dbraw/zinc/32/99/18/561329918.db2.gz LITCHKPTTDUJKU-UHFFFAOYSA-N 1 1 370.471 2.243 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000193948013 548412399 /nfs/dbraw/zinc/41/23/99/548412399.db2.gz HMMDPCAURPWWCH-CYBMUJFWSA-N 1 1 350.419 2.277 20 5 FEBDMO Cn1cc(C[NH2+]CCCCN2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237911434 548863816 /nfs/dbraw/zinc/86/38/16/548863816.db2.gz MZDBRFOANMSNAL-UHFFFAOYSA-N 1 1 373.457 2.197 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000245463354 548927389 /nfs/dbraw/zinc/92/73/89/548927389.db2.gz XHYKZBKIEZJUFS-DZGCQCFKSA-N 1 1 371.397 2.173 20 5 FEBDMO COCCOC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000245467439 548928810 /nfs/dbraw/zinc/92/88/10/548928810.db2.gz ZMASOWQBIFZISJ-LSDHHAIUSA-N 1 1 365.430 2.215 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]2N1C1CC1 ZINC000245805831 548997756 /nfs/dbraw/zinc/99/77/56/548997756.db2.gz PZVULDHPCQJSKA-KBXCAEBGSA-N 1 1 359.426 2.449 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000245992268 549032800 /nfs/dbraw/zinc/03/28/00/549032800.db2.gz QWPIXGVQNSCUTR-BBRMVZONSA-N 1 1 362.430 2.229 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000246206406 549078360 /nfs/dbraw/zinc/07/83/60/549078360.db2.gz PAKPJOBDPZFBIK-HIFRSBDPSA-N 1 1 353.444 2.151 20 5 FEBDMO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488721439 561395153 /nfs/dbraw/zinc/39/51/53/561395153.db2.gz CGFJITWEZUBSIU-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488721439 561395154 /nfs/dbraw/zinc/39/51/54/561395154.db2.gz CGFJITWEZUBSIU-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000247042617 549271425 /nfs/dbraw/zinc/27/14/25/549271425.db2.gz MUSIXMJEYFMABT-GOEBONIOSA-N 1 1 367.471 2.316 20 5 FEBDMO CC[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@H+]1C[C@H](C)O ZINC000247098415 549282453 /nfs/dbraw/zinc/28/24/53/549282453.db2.gz QFRJOFGYRUVFQJ-GXTWGEPZSA-N 1 1 350.419 2.212 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247324569 549318819 /nfs/dbraw/zinc/31/88/19/549318819.db2.gz IIAVQJLWRMOHTP-ZWNOBZJWSA-N 1 1 350.375 2.224 20 5 FEBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000247687153 549371279 /nfs/dbraw/zinc/37/12/79/549371279.db2.gz SGAHHYFCFUHKHK-UWWQBHOKSA-N 1 1 360.414 2.114 20 5 FEBDMO COc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000247690138 549372623 /nfs/dbraw/zinc/37/26/23/549372623.db2.gz VUKUAHHSVFQTHP-YSVLISHTSA-N 1 1 360.414 2.039 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000248053653 549403512 /nfs/dbraw/zinc/40/35/12/549403512.db2.gz OCIJFRWXAPFRQR-RDJZCZTQSA-N 1 1 367.471 2.026 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCO[C@@H]1C ZINC000489442786 561411550 /nfs/dbraw/zinc/41/15/50/561411550.db2.gz WOTWPFQGDSRCBA-PBHICJAKSA-N 1 1 365.430 2.358 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248654888 549477967 /nfs/dbraw/zinc/47/79/67/549477967.db2.gz VNMJZUYMSFXMBW-KBPBESRZSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248654888 549477972 /nfs/dbraw/zinc/47/79/72/549477972.db2.gz VNMJZUYMSFXMBW-KBPBESRZSA-N 1 1 350.419 2.130 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249149441 549561691 /nfs/dbraw/zinc/56/16/91/549561691.db2.gz XJPVCBQBWBJAOX-GXTWGEPZSA-N 1 1 363.414 2.363 20 5 FEBDMO COCCO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000249309633 549580099 /nfs/dbraw/zinc/58/00/99/549580099.db2.gz DNGDFSGKFAOREM-IUODEOHRSA-N 1 1 362.386 2.443 20 5 FEBDMO COCCO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000249309633 549580103 /nfs/dbraw/zinc/58/01/03/549580103.db2.gz DNGDFSGKFAOREM-IUODEOHRSA-N 1 1 362.386 2.443 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249746545 549622988 /nfs/dbraw/zinc/62/29/88/549622988.db2.gz ZWETYWYQDNRVQH-UKRRQHHQSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249746545 549622991 /nfs/dbraw/zinc/62/29/91/549622991.db2.gz ZWETYWYQDNRVQH-UKRRQHHQSA-N 1 1 374.441 2.160 20 5 FEBDMO COc1cc(OCC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000250110072 549637693 /nfs/dbraw/zinc/63/76/93/549637693.db2.gz KALDQPUGGRSXPR-UONOGXRCSA-N 1 1 365.430 2.219 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252544376 549673916 /nfs/dbraw/zinc/67/39/16/549673916.db2.gz IDGHCBXMQDHTHW-WDEREUQCSA-N 1 1 357.208 2.027 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1OC ZINC000268293212 550045829 /nfs/dbraw/zinc/04/58/29/550045829.db2.gz ZTRUCXMKVBRAJH-BXUZGUMPSA-N 1 1 363.414 2.215 20 5 FEBDMO CCC[N@@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])CC(C)(C)O ZINC000268593775 550091018 /nfs/dbraw/zinc/09/10/18/550091018.db2.gz VAQJFSIEKKZESJ-UHFFFAOYSA-N 1 1 353.419 2.415 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1OC ZINC000269124729 550158143 /nfs/dbraw/zinc/15/81/43/550158143.db2.gz WQDOUARFIWYPJZ-OCCSQVGLSA-N 1 1 363.414 2.168 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269321930 550180893 /nfs/dbraw/zinc/18/08/93/550180893.db2.gz LWSHNZYHYZTWTA-UHFFFAOYSA-N 1 1 364.446 2.237 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C ZINC000269338211 550182982 /nfs/dbraw/zinc/18/29/82/550182982.db2.gz PIUBXRNJUBPNDV-UHFFFAOYSA-N 1 1 372.429 2.269 20 5 FEBDMO O=C1CC2(CN1)CC[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000271198644 550351950 /nfs/dbraw/zinc/35/19/50/550351950.db2.gz SMVNJSRPQVFZLD-UHFFFAOYSA-N 1 1 355.341 2.298 20 5 FEBDMO CC(=O)NC1CCC([NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272483199 550451761 /nfs/dbraw/zinc/45/17/61/550451761.db2.gz CLHMWYSFXNWPRB-HTWSVDAQSA-N 1 1 371.441 2.455 20 5 FEBDMO CC[N@@H+]1CC[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000272819326 550472127 /nfs/dbraw/zinc/47/21/27/550472127.db2.gz IMRAUIBZTPJCDA-MNOVXSKESA-N 1 1 361.489 2.226 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000272819326 550472128 /nfs/dbraw/zinc/47/21/28/550472128.db2.gz IMRAUIBZTPJCDA-MNOVXSKESA-N 1 1 361.489 2.226 20 5 FEBDMO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272835716 550473058 /nfs/dbraw/zinc/47/30/58/550473058.db2.gz RYZWXVCZQUUECL-OAHLLOKOSA-N 1 1 360.838 2.483 20 5 FEBDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000272835716 550473059 /nfs/dbraw/zinc/47/30/59/550473059.db2.gz RYZWXVCZQUUECL-OAHLLOKOSA-N 1 1 360.838 2.483 20 5 FEBDMO Cn1cc(C[N@@H+](C)CCc2cnccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272880084 550474796 /nfs/dbraw/zinc/47/47/96/550474796.db2.gz XQTIIVIFHFXDIR-UHFFFAOYSA-N 1 1 352.398 2.460 20 5 FEBDMO Cc1ccnc(OC2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1 ZINC000272945950 550477683 /nfs/dbraw/zinc/47/76/83/550477683.db2.gz LSXRTTVXAUFGPH-UHFFFAOYSA-N 1 1 370.409 2.441 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000274843104 550558739 /nfs/dbraw/zinc/55/87/39/550558739.db2.gz DHRMNVTXERFSOR-GOSISDBHSA-N 1 1 374.393 2.312 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000494845138 561477699 /nfs/dbraw/zinc/47/76/99/561477699.db2.gz LRYGYRCRESFUGP-UHFFFAOYSA-N 1 1 364.490 2.476 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000494845138 561477700 /nfs/dbraw/zinc/47/77/00/561477700.db2.gz LRYGYRCRESFUGP-UHFFFAOYSA-N 1 1 364.490 2.476 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277552136 550683632 /nfs/dbraw/zinc/68/36/32/550683632.db2.gz MPFYDQWJNKLVAM-OAHLLOKOSA-N 1 1 364.446 2.014 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278044300 550742442 /nfs/dbraw/zinc/74/24/42/550742442.db2.gz CHGFCDDBBXSDGU-CZUORRHYSA-N 1 1 370.409 2.336 20 5 FEBDMO C[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000279340202 550879282 /nfs/dbraw/zinc/87/92/82/550879282.db2.gz IFYBCZBMUOJDON-UHFFFAOYSA-N 1 1 368.242 2.228 20 5 FEBDMO C[N@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000279340202 550879283 /nfs/dbraw/zinc/87/92/83/550879283.db2.gz IFYBCZBMUOJDON-UHFFFAOYSA-N 1 1 368.242 2.228 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(OC)C1 ZINC000279340898 550879604 /nfs/dbraw/zinc/87/96/04/550879604.db2.gz PQESDBANUJJEAW-SJCJKPOMSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@](C)(OC)C1 ZINC000279340898 550879606 /nfs/dbraw/zinc/87/96/06/550879606.db2.gz PQESDBANUJJEAW-SJCJKPOMSA-N 1 1 351.403 2.431 20 5 FEBDMO CCOc1cc(N2CC[NH+](Cc3ccnc(N)c3)CC2)ccc1[N+](=O)[O-] ZINC000280141568 550964736 /nfs/dbraw/zinc/96/47/36/550964736.db2.gz CCOUYVWDRSQUKY-UHFFFAOYSA-N 1 1 357.414 2.293 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000281257329 551078507 /nfs/dbraw/zinc/07/85/07/551078507.db2.gz VFGCZWTXBNPRSZ-SFHVURJKSA-N 1 1 358.398 2.250 20 5 FEBDMO C[N@H+]1CCN(CCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1(C)C ZINC000281722253 551135071 /nfs/dbraw/zinc/13/50/71/551135071.db2.gz VMQLRJILHLFGMP-UHFFFAOYSA-N 1 1 361.368 2.447 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282053509 551174550 /nfs/dbraw/zinc/17/45/50/551174550.db2.gz YAAYSKFRMMKGEL-GFCCVEGCSA-N 1 1 370.413 2.006 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000497514249 561502745 /nfs/dbraw/zinc/50/27/45/561502745.db2.gz BRIAMIOYYIQBRF-KBPBESRZSA-N 1 1 371.441 2.478 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@@H]1C ZINC000497514249 561502746 /nfs/dbraw/zinc/50/27/46/561502746.db2.gz BRIAMIOYYIQBRF-KBPBESRZSA-N 1 1 371.441 2.478 20 5 FEBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1(CO)CCOCC1 ZINC000282524207 551242037 /nfs/dbraw/zinc/24/20/37/551242037.db2.gz PTBHQWWCIVLQRT-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000282605247 551251083 /nfs/dbraw/zinc/25/10/83/551251083.db2.gz BQLOEFCSHYWDQW-MRXNPFEDSA-N 1 1 371.441 2.208 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497649086 561505481 /nfs/dbraw/zinc/50/54/81/561505481.db2.gz JECBAAFCVNCNOU-CABCVRRESA-N 1 1 365.455 2.036 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498224672 561519362 /nfs/dbraw/zinc/51/93/62/561519362.db2.gz AKIYHOQILVEEDQ-STQMWFEESA-N 1 1 350.419 2.228 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000498582586 561529450 /nfs/dbraw/zinc/52/94/50/561529450.db2.gz DHONXYPGMOSHMI-UONOGXRCSA-N 1 1 357.414 2.335 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000498703607 561532168 /nfs/dbraw/zinc/53/21/68/561532168.db2.gz CCFOYCPJHWMGOQ-SNVBAGLBSA-N 1 1 373.356 2.371 20 5 FEBDMO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285508404 551767474 /nfs/dbraw/zinc/76/74/74/551767474.db2.gz NUOBKRLAFGDXCM-HOTGVXAUSA-N 1 1 351.403 2.181 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286190709 551859192 /nfs/dbraw/zinc/85/91/92/551859192.db2.gz FCOQAUDFIUDITF-LBPRGKRZSA-N 1 1 364.475 2.285 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H](C)[S@@]1=O ZINC000286205133 551860932 /nfs/dbraw/zinc/86/09/32/551860932.db2.gz YCFZRFOMMSTTDK-SUXZAAGHSA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H](C)[S@@]1=O ZINC000286205133 551860933 /nfs/dbraw/zinc/86/09/33/551860933.db2.gz YCFZRFOMMSTTDK-SUXZAAGHSA-N 1 1 367.471 2.463 20 5 FEBDMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000286259407 551866754 /nfs/dbraw/zinc/86/67/54/551866754.db2.gz GNJWIGCFDHYYHJ-JSGCOSHPSA-N 1 1 353.444 2.061 20 5 FEBDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000287002578 551950372 /nfs/dbraw/zinc/95/03/72/551950372.db2.gz QCLGVIJAWHLFEE-ZDUSSCGKSA-N 1 1 364.402 2.134 20 5 FEBDMO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000499831676 561559392 /nfs/dbraw/zinc/55/93/92/561559392.db2.gz SSUXFUPGFSAWIC-QGZVFWFLSA-N 1 1 367.833 2.198 20 5 FEBDMO O=C(N1CCCC1)[C@@]1(O)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000499831676 561559393 /nfs/dbraw/zinc/55/93/93/561559393.db2.gz SSUXFUPGFSAWIC-QGZVFWFLSA-N 1 1 367.833 2.198 20 5 FEBDMO C[N@@H+](CCn1cc(Br)cn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288718639 552200151 /nfs/dbraw/zinc/20/01/51/552200151.db2.gz FTGMXAZGPSCFDH-CQSZACIVSA-N 1 1 369.219 2.219 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000500118115 561566219 /nfs/dbraw/zinc/56/62/19/561566219.db2.gz CTXPXYDXSOCFER-NWDGAFQWSA-N 1 1 351.403 2.167 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1[C@@H]1CCCO1 ZINC000289377684 552310410 /nfs/dbraw/zinc/31/04/10/552310410.db2.gz BICRQUZIQALIJG-BHYGNILZSA-N 1 1 350.415 2.224 20 5 FEBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688360 552362207 /nfs/dbraw/zinc/36/22/07/552362207.db2.gz ODKDYJOSCCFPMD-DOMZBBRYSA-N 1 1 371.384 2.491 20 5 FEBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688360 552362210 /nfs/dbraw/zinc/36/22/10/552362210.db2.gz ODKDYJOSCCFPMD-DOMZBBRYSA-N 1 1 371.384 2.491 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290107425 552428697 /nfs/dbraw/zinc/42/86/97/552428697.db2.gz QWZYBCSQXZIJQZ-GFCCVEGCSA-N 1 1 350.419 2.078 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290147527 552434819 /nfs/dbraw/zinc/43/48/19/552434819.db2.gz VNNIWCSLLVJIDX-LLVKDONJSA-N 1 1 370.837 2.423 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000290163054 552436932 /nfs/dbraw/zinc/43/69/32/552436932.db2.gz DLSRNXLBGGWGBK-UHFFFAOYSA-N 1 1 362.430 2.038 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000290181422 552439418 /nfs/dbraw/zinc/43/94/18/552439418.db2.gz VMNGHTBAHIGVIE-UHFFFAOYSA-N 1 1 350.766 2.325 20 5 FEBDMO C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000501105277 561590118 /nfs/dbraw/zinc/59/01/18/561590118.db2.gz IPSUXHAXYKPCTN-ZDUSSCGKSA-N 1 1 364.446 2.423 20 5 FEBDMO C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000501105277 561590119 /nfs/dbraw/zinc/59/01/19/561590119.db2.gz IPSUXHAXYKPCTN-ZDUSSCGKSA-N 1 1 364.446 2.423 20 5 FEBDMO C[NH+]1CCN([C@@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)c2ccccc2)CC1 ZINC000291036059 552578973 /nfs/dbraw/zinc/57/89/73/552578973.db2.gz FTITTZNRZAHFCU-QGZVFWFLSA-N 1 1 373.457 2.394 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+](C2CCC2)C1 ZINC000291609143 552642804 /nfs/dbraw/zinc/64/28/04/552642804.db2.gz AXUHTFUOXSASED-LBPRGKRZSA-N 1 1 371.434 2.229 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291820851 552664987 /nfs/dbraw/zinc/66/49/87/552664987.db2.gz NVFBBIXANPPLRX-GFCCVEGCSA-N 1 1 357.357 2.181 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292189204 552702678 /nfs/dbraw/zinc/70/26/78/552702678.db2.gz REKLCDCZSWTMCV-MRXNPFEDSA-N 1 1 352.822 2.214 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292189197 552702787 /nfs/dbraw/zinc/70/27/87/552702787.db2.gz REKLCDCZSWTMCV-INIZCTEOSA-N 1 1 352.822 2.214 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H](O)Cc1ccccc1 ZINC000293436363 552823429 /nfs/dbraw/zinc/82/34/29/552823429.db2.gz UUODLKXABFFLJU-SFHVURJKSA-N 1 1 369.421 2.019 20 5 FEBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@@H](O)Cc1ccccc1 ZINC000293436363 552823430 /nfs/dbraw/zinc/82/34/30/552823430.db2.gz UUODLKXABFFLJU-SFHVURJKSA-N 1 1 369.421 2.019 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000294313157 552896150 /nfs/dbraw/zinc/89/61/50/552896150.db2.gz WLJAFVZHPPQXMS-SFHVURJKSA-N 1 1 364.421 2.358 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000294392692 552902712 /nfs/dbraw/zinc/90/27/12/552902712.db2.gz JXYPQCCCBFXMSS-WFASDCNBSA-N 1 1 364.421 2.356 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295589463 553029691 /nfs/dbraw/zinc/02/96/91/553029691.db2.gz WMRJYXYATSGOAI-GFCCVEGCSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295589463 553029692 /nfs/dbraw/zinc/02/96/92/553029692.db2.gz WMRJYXYATSGOAI-GFCCVEGCSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1cc(NC(=O)NC[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCC ZINC000296294545 553136387 /nfs/dbraw/zinc/13/63/87/553136387.db2.gz JVDLFSARIAAWQD-GFCCVEGCSA-N 1 1 366.418 2.465 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000296702542 553200080 /nfs/dbraw/zinc/20/00/80/553200080.db2.gz KNTQPEPPAWGCQB-UHFFFAOYSA-N 1 1 357.842 2.253 20 5 FEBDMO CN(CCCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)CC[NH+](C)C ZINC000296702542 553200081 /nfs/dbraw/zinc/20/00/81/553200081.db2.gz KNTQPEPPAWGCQB-UHFFFAOYSA-N 1 1 357.842 2.253 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](O)C12CCCC2 ZINC000298348222 553415063 /nfs/dbraw/zinc/41/50/63/553415063.db2.gz MLCQURPBWUHUKQ-INIZCTEOSA-N 1 1 363.414 2.311 20 5 FEBDMO CC[C@H](C)[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(=O)OC ZINC000298556701 553440070 /nfs/dbraw/zinc/44/00/70/553440070.db2.gz OWQRMLUUQRYYPW-LBPRGKRZSA-N 1 1 367.402 2.206 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299113331 553517280 /nfs/dbraw/zinc/51/72/80/553517280.db2.gz ZDRMXGGLAYCDLY-CHWSQXEVSA-N 1 1 363.414 2.216 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299255047 553537413 /nfs/dbraw/zinc/53/74/13/553537413.db2.gz JXGNTAAUKYMKQG-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000299405077 553558775 /nfs/dbraw/zinc/55/87/75/553558775.db2.gz XCNMWWFRSLUJKE-CYBMUJFWSA-N 1 1 363.414 2.232 20 5 FEBDMO C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000301676427 553671255 /nfs/dbraw/zinc/67/12/55/553671255.db2.gz HRAIFXQXAXJMKM-SNVBAGLBSA-N 1 1 359.224 2.133 20 5 FEBDMO Cc1[nH+]ccn1-c1cncc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 ZINC000301837903 553684170 /nfs/dbraw/zinc/68/41/70/553684170.db2.gz YNRYDOAIXPLNHX-UHFFFAOYSA-N 1 1 365.397 2.206 20 5 FEBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3sccc3[N+](=O)[O-])CC2)CC1 ZINC000301987150 553696152 /nfs/dbraw/zinc/69/61/52/553696152.db2.gz DHEKEKWADMQOLJ-UHFFFAOYSA-N 1 1 366.487 2.427 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000302549358 553720757 /nfs/dbraw/zinc/72/07/57/553720757.db2.gz PTMSRUWDCBRMHL-LLVKDONJSA-N 1 1 359.373 2.478 20 5 FEBDMO CC(C)[C@@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@H+]1C ZINC000331150733 554222064 /nfs/dbraw/zinc/22/20/64/554222064.db2.gz OKTLHKVTALCKNJ-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000331992568 554359818 /nfs/dbraw/zinc/35/98/18/554359818.db2.gz WMOJLOLLGPQEJZ-ZDUSSCGKSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253162 554410532 /nfs/dbraw/zinc/41/05/32/554410532.db2.gz MILHXGSESGUVKZ-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO C[N@@H+](CCc1nnnn1-c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511058388 561855362 /nfs/dbraw/zinc/85/53/62/561855362.db2.gz GEMRBNORULSALX-UHFFFAOYSA-N 1 1 352.398 2.288 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(-c2nc([C@H]3C[N@@H+](C4CCCCC4)CCO3)no2)n1 ZINC000349841906 554745353 /nfs/dbraw/zinc/74/53/53/554745353.db2.gz VGSKQMIVEVBQHO-CYBMUJFWSA-N 1 1 362.390 2.084 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(-c2nc([C@H]3C[N@H+](C4CCCCC4)CCO3)no2)n1 ZINC000349841906 554745356 /nfs/dbraw/zinc/74/53/56/554745356.db2.gz VGSKQMIVEVBQHO-CYBMUJFWSA-N 1 1 362.390 2.084 20 5 FEBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@H]3CCC[N@H+]3C3CCOCC3)n2)n1C ZINC000350914068 554821899 /nfs/dbraw/zinc/82/18/99/554821899.db2.gz AVBPAAXHOXRBOL-GFCCVEGCSA-N 1 1 362.390 2.003 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000362489820 554975524 /nfs/dbraw/zinc/97/55/24/554975524.db2.gz XBGRHWYSLCLSBA-CVEARBPZSA-N 1 1 361.442 2.191 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000362863660 554994189 /nfs/dbraw/zinc/99/41/89/554994189.db2.gz VXAACCWDEPNJBP-NUEKZKHPSA-N 1 1 362.430 2.127 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363256146 555065088 /nfs/dbraw/zinc/06/50/88/555065088.db2.gz HKTKMMICEROVGL-MAZHCROVSA-N 1 1 360.370 2.059 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659165 555157654 /nfs/dbraw/zinc/15/76/54/555157654.db2.gz GKZHKNRVBBTOIF-INMHGKMJSA-N 1 1 358.442 2.340 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659165 555157657 /nfs/dbraw/zinc/15/76/57/555157657.db2.gz GKZHKNRVBBTOIF-INMHGKMJSA-N 1 1 358.442 2.340 20 5 FEBDMO CCC(=O)N1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363938002 555217931 /nfs/dbraw/zinc/21/79/31/555217931.db2.gz MVHJMEJIYSBQNF-UHFFFAOYSA-N 1 1 362.430 2.176 20 5 FEBDMO Cc1nccc(CN2CCC[C@H]([NH2+]Cc3csc([N+](=O)[O-])c3)C2=O)n1 ZINC000363976667 555225343 /nfs/dbraw/zinc/22/53/43/555225343.db2.gz NIKQGHAGDPFEQU-AWEZNQCLSA-N 1 1 361.427 2.036 20 5 FEBDMO Cc1c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364044405 555239269 /nfs/dbraw/zinc/23/92/69/555239269.db2.gz XAEGXDBAICIQLC-QWHCGFSZSA-N 1 1 362.386 2.476 20 5 FEBDMO O=C(CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364232890 555275356 /nfs/dbraw/zinc/27/53/56/555275356.db2.gz BVABDDNYMDRRRU-OLZOCXBDSA-N 1 1 351.378 2.421 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccnc1 ZINC000364560898 555338649 /nfs/dbraw/zinc/33/86/49/555338649.db2.gz BWMFLAJJYGTCOM-LPHOPBHVSA-N 1 1 354.410 2.342 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000364598686 555348947 /nfs/dbraw/zinc/34/89/47/555348947.db2.gz JDHUZGNOKYHJQT-CLLJXQQHSA-N 1 1 365.434 2.348 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000364598686 555348949 /nfs/dbraw/zinc/34/89/49/555348949.db2.gz JDHUZGNOKYHJQT-CLLJXQQHSA-N 1 1 365.434 2.348 20 5 FEBDMO Cc1ccc(NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000364629961 555357536 /nfs/dbraw/zinc/35/75/36/555357536.db2.gz MKVYRQRDIKPATQ-UHFFFAOYSA-N 1 1 350.419 2.214 20 5 FEBDMO Cc1cc(NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000364632294 555358196 /nfs/dbraw/zinc/35/81/96/555358196.db2.gz PSSBOMKZFZFYJL-UHFFFAOYSA-N 1 1 350.419 2.214 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000365026524 555468066 /nfs/dbraw/zinc/46/80/66/555468066.db2.gz LDGHKWSZIXAPMD-MRXNPFEDSA-N 1 1 369.425 2.062 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000365161805 555498953 /nfs/dbraw/zinc/49/89/53/555498953.db2.gz ZCTIWDLRELGCSG-CYBMUJFWSA-N 1 1 373.413 2.464 20 5 FEBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365546348 555605172 /nfs/dbraw/zinc/60/51/72/555605172.db2.gz KZZKIEKOBFMIGS-PJODQICGSA-N 1 1 355.398 2.027 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365546348 555605175 /nfs/dbraw/zinc/60/51/75/555605175.db2.gz KZZKIEKOBFMIGS-PJODQICGSA-N 1 1 355.398 2.027 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365546348 555605177 /nfs/dbraw/zinc/60/51/77/555605177.db2.gz KZZKIEKOBFMIGS-PJODQICGSA-N 1 1 355.398 2.027 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(c2ncccn2)CC1 ZINC000365846942 555682183 /nfs/dbraw/zinc/68/21/83/555682183.db2.gz XMLRGZQEJWXXMU-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000366550740 555874141 /nfs/dbraw/zinc/87/41/41/555874141.db2.gz GOTPVQSZXDLRHX-UONOGXRCSA-N 1 1 365.434 2.123 20 5 FEBDMO CC(C)(C)OC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000514600728 561968900 /nfs/dbraw/zinc/96/89/00/561968900.db2.gz TXRFNFWHJIQREM-UHFFFAOYSA-N 1 1 368.434 2.004 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(-c4cccnc4)n[nH]3)C2)nc1 ZINC000367423679 556045136 /nfs/dbraw/zinc/04/51/36/556045136.db2.gz WFKNECGHBODCCZ-AWEZNQCLSA-N 1 1 365.397 2.461 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cc(-c4cccnc4)n[nH]3)C2)nc1 ZINC000367423679 556045138 /nfs/dbraw/zinc/04/51/38/556045138.db2.gz WFKNECGHBODCCZ-AWEZNQCLSA-N 1 1 365.397 2.461 20 5 FEBDMO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000368101602 556219414 /nfs/dbraw/zinc/21/94/14/556219414.db2.gz ZVHVAOVONIXBRU-JVLSTEMRSA-N 1 1 351.353 2.429 20 5 FEBDMO COc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c([N+](=O)[O-])cc1F ZINC000368395863 556295945 /nfs/dbraw/zinc/29/59/45/556295945.db2.gz WUCWUEZSBWRIGE-FZMZJTMJSA-N 1 1 351.378 2.233 20 5 FEBDMO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000368660593 556377256 /nfs/dbraw/zinc/37/72/56/556377256.db2.gz SMZKPBLOIOWKPO-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO COC[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000368660593 556377259 /nfs/dbraw/zinc/37/72/59/556377259.db2.gz SMZKPBLOIOWKPO-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CCC(=O)N1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000368762919 556407782 /nfs/dbraw/zinc/40/77/82/556407782.db2.gz XHFOAXQKSGFFSJ-UHFFFAOYSA-N 1 1 362.430 2.176 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368964394 556461208 /nfs/dbraw/zinc/46/12/08/556461208.db2.gz FZEYZTGEUIMMBH-WCUVEOEZSA-N 1 1 371.397 2.292 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368964394 556461209 /nfs/dbraw/zinc/46/12/09/556461209.db2.gz FZEYZTGEUIMMBH-WCUVEOEZSA-N 1 1 371.397 2.292 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000369172802 556524711 /nfs/dbraw/zinc/52/47/11/556524711.db2.gz YNRPDRYWOZRISI-UHFFFAOYSA-N 1 1 367.471 2.391 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000369824997 556705657 /nfs/dbraw/zinc/70/56/57/556705657.db2.gz FJTZZGWLGCANGG-CJNGLKHVSA-N 1 1 352.341 2.268 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3F)C2)c1 ZINC000369974995 556746223 /nfs/dbraw/zinc/74/62/23/556746223.db2.gz QVXWXGYAIXCKCI-UKRRQHHQSA-N 1 1 364.377 2.007 20 5 FEBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000370183440 556804697 /nfs/dbraw/zinc/80/46/97/556804697.db2.gz KYWLHCZIQSGDSL-INIZCTEOSA-N 1 1 369.356 2.397 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[S@](=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000370210566 556811935 /nfs/dbraw/zinc/81/19/35/556811935.db2.gz RBBRFWKTPRIXFF-FNODVLLQSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[S@](=O)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000370210566 556811937 /nfs/dbraw/zinc/81/19/37/556811937.db2.gz RBBRFWKTPRIXFF-FNODVLLQSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNc1ccccc1[N+](=O)[O-] ZINC000370308937 556836547 /nfs/dbraw/zinc/83/65/47/556836547.db2.gz QKTLYPFSGDCTNS-UHFFFAOYSA-N 1 1 358.446 2.391 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370829836 556981758 /nfs/dbraw/zinc/98/17/58/556981758.db2.gz JIKVAUNLMIVMPL-KRWDZBQOSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370829836 556981760 /nfs/dbraw/zinc/98/17/60/556981760.db2.gz JIKVAUNLMIVMPL-KRWDZBQOSA-N 1 1 360.458 2.144 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@H](N2CCCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000370900960 557008198 /nfs/dbraw/zinc/00/81/98/557008198.db2.gz UVGRFAAGEQTKAF-HNNXBMFYSA-N 1 1 374.441 2.400 20 5 FEBDMO Cn1cc([C@@H]2[C@@H](CNC(=O)c3csc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000370920074 557015963 /nfs/dbraw/zinc/01/59/63/557015963.db2.gz YVQFZRYJHALZKM-ABAIWWIYSA-N 1 1 363.443 2.203 20 5 FEBDMO O=c1c(F)cc([N+](=O)[O-])cn1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000517370910 562087398 /nfs/dbraw/zinc/08/73/98/562087398.db2.gz NWIAZSICKFHYPJ-MRXNPFEDSA-N 1 1 361.373 2.187 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000517569630 562092754 /nfs/dbraw/zinc/09/27/54/562092754.db2.gz MGOUIPXISIVUGV-HIFRSBDPSA-N 1 1 364.446 2.044 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000371645119 557249229 /nfs/dbraw/zinc/24/92/29/557249229.db2.gz FHYCLYOFAAWQMZ-HNNXBMFYSA-N 1 1 353.382 2.053 20 5 FEBDMO COC[C@H]1CCCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000372109696 557382069 /nfs/dbraw/zinc/38/20/69/557382069.db2.gz VBOQYWYHZJJCAI-LBPRGKRZSA-N 1 1 365.386 2.011 20 5 FEBDMO COC[C@H]1CCCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000372109696 557382071 /nfs/dbraw/zinc/38/20/71/557382071.db2.gz VBOQYWYHZJJCAI-LBPRGKRZSA-N 1 1 365.386 2.011 20 5 FEBDMO CN(C)C(=O)c1cccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372281505 557428557 /nfs/dbraw/zinc/42/85/57/557428557.db2.gz IVNWVOVQPUGPJK-MRXNPFEDSA-N 1 1 357.414 2.330 20 5 FEBDMO CN(C)C(=O)c1cccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372281505 557428560 /nfs/dbraw/zinc/42/85/60/557428560.db2.gz IVNWVOVQPUGPJK-MRXNPFEDSA-N 1 1 357.414 2.330 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000373894480 557781726 /nfs/dbraw/zinc/78/17/26/557781726.db2.gz SCZFALOJINYKLY-IINYFYTJSA-N 1 1 362.411 2.180 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000373929124 557789303 /nfs/dbraw/zinc/78/93/03/557789303.db2.gz LPRXCZYLDDCZSM-KBPBESRZSA-N 1 1 355.398 2.137 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000373939095 557792161 /nfs/dbraw/zinc/79/21/61/557792161.db2.gz QMZUDMDEIVYUPL-OLZOCXBDSA-N 1 1 363.414 2.359 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374049501 557814029 /nfs/dbraw/zinc/81/40/29/557814029.db2.gz KFOCVWKLDMRXSM-ZDUSSCGKSA-N 1 1 358.402 2.230 20 5 FEBDMO C[C@@]1(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000374200173 557842458 /nfs/dbraw/zinc/84/24/58/557842458.db2.gz ADMUKIIWPYWXAW-INIZCTEOSA-N 1 1 366.805 2.058 20 5 FEBDMO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@H+]1CCCC[C@@H]1C ZINC000520972474 562166779 /nfs/dbraw/zinc/16/67/79/562166779.db2.gz WBMNLXQEQCKGID-UONOGXRCSA-N 1 1 372.429 2.168 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000374609080 557906326 /nfs/dbraw/zinc/90/63/26/557906326.db2.gz DNXOGJXXCHEWEQ-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374834159 557938178 /nfs/dbraw/zinc/93/81/78/557938178.db2.gz RUAQFEIAEGZMRN-LLVKDONJSA-N 1 1 350.394 2.405 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC1 ZINC000374836011 557938505 /nfs/dbraw/zinc/93/85/05/557938505.db2.gz ZFRUGAWGZDAADR-UHFFFAOYSA-N 1 1 361.377 2.145 20 5 FEBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374884403 557945732 /nfs/dbraw/zinc/94/57/32/557945732.db2.gz VFOWLQBCTZBJPA-GDBMZVCRSA-N 1 1 366.425 2.960 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000374917086 557950979 /nfs/dbraw/zinc/95/09/79/557950979.db2.gz XWYWZBUTPQETGE-MFKMUULPSA-N 1 1 355.341 2.362 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000375035235 557967705 /nfs/dbraw/zinc/96/77/05/557967705.db2.gz BXPFKNRFCHMNCB-ABAIWWIYSA-N 1 1 373.862 2.271 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)n1 ZINC000375291357 558004930 /nfs/dbraw/zinc/00/49/30/558004930.db2.gz GRGZJOMFBVCAKI-UHFFFAOYSA-N 1 1 351.357 2.282 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000521337252 562174567 /nfs/dbraw/zinc/17/45/67/562174567.db2.gz PEZSKTVLINIXAN-RYUDHWBXSA-N 1 1 353.394 2.352 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000521337255 562174580 /nfs/dbraw/zinc/17/45/80/562174580.db2.gz PEZSKTVLINIXAN-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000521337255 562174581 /nfs/dbraw/zinc/17/45/81/562174581.db2.gz PEZSKTVLINIXAN-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000375549871 558046759 /nfs/dbraw/zinc/04/67/59/558046759.db2.gz XNHCXXCZFBZQTQ-UHFFFAOYSA-N 1 1 366.381 2.243 20 5 FEBDMO CCN1CCC([N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000376355555 558162417 /nfs/dbraw/zinc/16/24/17/558162417.db2.gz TWQZHBSOUMNONV-KRWDZBQOSA-N 1 1 363.458 2.283 20 5 FEBDMO COc1ccc(S(=O)(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000521688842 562182347 /nfs/dbraw/zinc/18/23/47/562182347.db2.gz DWCIHYNJUIMLDB-BETUJISGSA-N 1 1 371.459 2.145 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000376468319 558177167 /nfs/dbraw/zinc/17/71/67/558177167.db2.gz JZQASFZADKDXBQ-YJBOKZPZSA-N 1 1 350.415 2.370 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000376483878 558179154 /nfs/dbraw/zinc/17/91/54/558179154.db2.gz HFUBAJKPLJPNFC-NSHDSACASA-N 1 1 354.370 2.361 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000522274430 562196011 /nfs/dbraw/zinc/19/60/11/562196011.db2.gz FMXSBURJXICCTR-UHFFFAOYSA-N 1 1 368.437 2.455 20 5 FEBDMO CCN1C(=O)N=NC1C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000377571767 558368350 /nfs/dbraw/zinc/36/83/50/558368350.db2.gz MWGNJNWOQXAKRW-UHFFFAOYSA-N 1 1 372.385 2.433 20 5 FEBDMO CC(C)[C@@]1(CO)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000377645448 558385533 /nfs/dbraw/zinc/38/55/33/558385533.db2.gz QBXVVIFBOGWJFY-KRWDZBQOSA-N 1 1 353.394 2.403 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000377760046 558413870 /nfs/dbraw/zinc/41/38/70/558413870.db2.gz INGSVZKCBBMUJX-ZWKOTPCHSA-N 1 1 355.442 2.245 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2[nH]ncc2[N+](=O)[O-])cc1F ZINC000378309126 558526060 /nfs/dbraw/zinc/52/60/60/558526060.db2.gz DHGOAYAMTSVEAG-VIFPVBQESA-N 1 1 358.333 2.442 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000378584367 558588946 /nfs/dbraw/zinc/58/89/46/558588946.db2.gz TWMCVZXSONLCIH-IIDMSEBBSA-N 1 1 367.409 2.178 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239624 558659811 /nfs/dbraw/zinc/65/98/11/558659811.db2.gz ZTOCLZOAYMCPFZ-KBPBESRZSA-N 1 1 353.444 2.151 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N2CC[N@H+](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000524805336 562235403 /nfs/dbraw/zinc/23/54/03/562235403.db2.gz WKINZFQCRQPMAV-OAHLLOKOSA-N 1 1 363.462 2.441 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000411193913 558851385 /nfs/dbraw/zinc/85/13/85/558851385.db2.gz PQJPJHMSUHLPBM-FGTMMUONSA-N 1 1 361.442 2.171 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000411258881 558862287 /nfs/dbraw/zinc/86/22/87/558862287.db2.gz MQFNDEDNVWRZHN-OAHLLOKOSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000411258881 558862288 /nfs/dbraw/zinc/86/22/88/558862288.db2.gz MQFNDEDNVWRZHN-OAHLLOKOSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000411258881 558862290 /nfs/dbraw/zinc/86/22/90/558862290.db2.gz MQFNDEDNVWRZHN-OAHLLOKOSA-N 1 1 362.430 2.101 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000411734117 558952447 /nfs/dbraw/zinc/95/24/47/558952447.db2.gz HTEJHMLKLKLPQI-LBPRGKRZSA-N 1 1 353.394 2.133 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411799785 558965616 /nfs/dbraw/zinc/96/56/16/558965616.db2.gz XBHYEXMJYWKDLG-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[C@@H]1CN(CC)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411799785 558965617 /nfs/dbraw/zinc/96/56/17/558965617.db2.gz XBHYEXMJYWKDLG-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[C@@H]1CN(CC)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411799785 558965619 /nfs/dbraw/zinc/96/56/19/558965619.db2.gz XBHYEXMJYWKDLG-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@H](N2CCCC2=O)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000412054952 559007509 /nfs/dbraw/zinc/00/75/09/559007509.db2.gz JXRWIDFYIZDXMN-INIZCTEOSA-N 1 1 374.441 2.400 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412060227 559007992 /nfs/dbraw/zinc/00/79/92/559007992.db2.gz ZILZUVJKSZTNAG-ZBFHGGJFSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412060227 559007994 /nfs/dbraw/zinc/00/79/94/559007994.db2.gz ZILZUVJKSZTNAG-ZBFHGGJFSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413097071 559077656 /nfs/dbraw/zinc/07/76/56/559077656.db2.gz BYDSCUOMZZBYGF-OKILXGFUSA-N 1 1 351.426 2.124 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000413189632 559087241 /nfs/dbraw/zinc/08/72/41/559087241.db2.gz CHTHJZOOSLBUDC-PBHICJAKSA-N 1 1 360.389 2.424 20 5 FEBDMO COCC(COC)N1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000413481014 559111241 /nfs/dbraw/zinc/11/12/41/559111241.db2.gz SLPTYBHQYSCZEF-UHFFFAOYSA-N 1 1 374.441 2.235 20 5 FEBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000413974786 559144427 /nfs/dbraw/zinc/14/44/27/559144427.db2.gz FSRWFWYWCJLYEM-CRAIPNDOSA-N 1 1 372.425 2.190 20 5 FEBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414564156 559172081 /nfs/dbraw/zinc/17/20/81/559172081.db2.gz XHVHEBNDGLNIHA-SJKOYZFVSA-N 1 1 362.382 2.039 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416410095 559310915 /nfs/dbraw/zinc/31/09/15/559310915.db2.gz WKYAWFDGLOXUNI-UONOGXRCSA-N 1 1 355.460 2.315 20 5 FEBDMO C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000417142649 559349768 /nfs/dbraw/zinc/34/97/68/559349768.db2.gz STKIZVXJANPBSX-SUMWQHHRSA-N 1 1 355.398 2.407 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000417157950 559350346 /nfs/dbraw/zinc/35/03/46/559350346.db2.gz VLOVTKXKCUYTKE-OLZOCXBDSA-N 1 1 350.419 2.076 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000417157950 559350347 /nfs/dbraw/zinc/35/03/47/559350347.db2.gz VLOVTKXKCUYTKE-OLZOCXBDSA-N 1 1 350.419 2.076 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000420445783 559487736 /nfs/dbraw/zinc/48/77/36/559487736.db2.gz FXNKSMYAJNWHIO-UHFFFAOYSA-N 1 1 368.242 2.322 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000421377094 559540370 /nfs/dbraw/zinc/54/03/70/559540370.db2.gz HMAJOMYJJLPBHP-AWEZNQCLSA-N 1 1 353.444 2.161 20 5 FEBDMO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCN(Cc2ccccc2)CC1 ZINC000424041771 559652292 /nfs/dbraw/zinc/65/22/92/559652292.db2.gz USKBPICACPDYTL-UHFFFAOYSA-N 1 1 368.437 2.318 20 5 FEBDMO COC(=O)C[C@@]1([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CCOC1 ZINC000425430808 559701985 /nfs/dbraw/zinc/70/19/85/559701985.db2.gz GOHGBUOEVYHZFP-AWEZNQCLSA-N 1 1 373.203 2.169 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000428002903 559767309 /nfs/dbraw/zinc/76/73/09/559767309.db2.gz AIRSUKZPLQCMGJ-CYBMUJFWSA-N 1 1 372.425 2.401 20 5 FEBDMO Nc1c(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc(F)cc1[N+](=O)[O-] ZINC000428527966 559777429 /nfs/dbraw/zinc/77/74/29/559777429.db2.gz ZAMDVXMKVQWXLX-CQSZACIVSA-N 1 1 374.372 2.135 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000428867194 559785163 /nfs/dbraw/zinc/78/51/63/559785163.db2.gz LUMGHDLHVHFLTG-FZKQIMNGSA-N 1 1 370.409 2.089 20 5 FEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999089 559787842 /nfs/dbraw/zinc/78/78/42/559787842.db2.gz RZQLDYXJVNAMAG-VKJFTORMSA-N 1 1 360.458 2.220 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000432178345 559853529 /nfs/dbraw/zinc/85/35/29/559853529.db2.gz QGRHMPZYPFIGSE-AWEZNQCLSA-N 1 1 372.425 2.322 20 5 FEBDMO C[N@@H+](C[C@H](O)Cc1ccccc1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433039694 559870346 /nfs/dbraw/zinc/87/03/46/559870346.db2.gz NFLKCWMRPJEYBV-MOPGFXCFSA-N 1 1 369.421 2.236 20 5 FEBDMO CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000433122368 559872466 /nfs/dbraw/zinc/87/24/66/559872466.db2.gz VPNHRPYMYGTYCU-KDOFPFPSSA-N 1 1 374.485 2.494 20 5 FEBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000439485412 559995627 /nfs/dbraw/zinc/99/56/27/559995627.db2.gz SLEGVPAWDZOXAX-GOSISDBHSA-N 1 1 366.414 2.265 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000440076009 560004398 /nfs/dbraw/zinc/00/43/98/560004398.db2.gz IXJYMCKQOQNJJS-CHWSQXEVSA-N 1 1 355.460 2.302 20 5 FEBDMO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000445560160 560132869 /nfs/dbraw/zinc/13/28/69/560132869.db2.gz XETCFPNJXHWGDL-BDAKNGLRSA-N 1 1 368.242 2.450 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000447429533 560162125 /nfs/dbraw/zinc/16/21/25/560162125.db2.gz ZKOOIBZMUOHPJS-UHFFFAOYSA-N 1 1 362.430 2.080 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447935992 560173805 /nfs/dbraw/zinc/17/38/05/560173805.db2.gz LJSDEVHWLXWOQI-GFCCVEGCSA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447935992 560173806 /nfs/dbraw/zinc/17/38/06/560173806.db2.gz LJSDEVHWLXWOQI-GFCCVEGCSA-N 1 1 361.489 2.363 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000448032185 560176381 /nfs/dbraw/zinc/17/63/81/560176381.db2.gz UQYPHTCYPFQTCQ-INIZCTEOSA-N 1 1 363.462 2.426 20 5 FEBDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000449077597 560215006 /nfs/dbraw/zinc/21/50/06/560215006.db2.gz WBPVMTRVZBMNCT-INIZCTEOSA-N 1 1 369.469 2.462 20 5 FEBDMO CCOC(=O)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)CC12COC2 ZINC000449364304 560227148 /nfs/dbraw/zinc/22/71/48/560227148.db2.gz NOCGJKLIHVTZJO-OAHLLOKOSA-N 1 1 364.398 2.005 20 5 FEBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)CC12COC2 ZINC000449364304 560227149 /nfs/dbraw/zinc/22/71/49/560227149.db2.gz NOCGJKLIHVTZJO-OAHLLOKOSA-N 1 1 364.398 2.005 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000449616242 560234890 /nfs/dbraw/zinc/23/48/90/560234890.db2.gz CGZXCKBJERYOOA-AWEZNQCLSA-N 1 1 366.414 2.130 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449986042 560247283 /nfs/dbraw/zinc/24/72/83/560247283.db2.gz NPPFVLDMXPESEW-YVEFUNNKSA-N 1 1 357.414 2.397 20 5 FEBDMO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449986042 560247284 /nfs/dbraw/zinc/24/72/84/560247284.db2.gz NPPFVLDMXPESEW-YVEFUNNKSA-N 1 1 357.414 2.397 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449986042 560247285 /nfs/dbraw/zinc/24/72/85/560247285.db2.gz NPPFVLDMXPESEW-YVEFUNNKSA-N 1 1 357.414 2.397 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450234063 560255143 /nfs/dbraw/zinc/25/51/43/560255143.db2.gz PPNHAQPLXRFWRO-CVEARBPZSA-N 1 1 369.425 2.337 20 5 FEBDMO Cn1cc(C[NH+]2CCN(c3nccc4c3cccc4[N+](=O)[O-])CC2)cn1 ZINC000450314137 560258196 /nfs/dbraw/zinc/25/81/96/560258196.db2.gz AVEITAIHWMXFKW-UHFFFAOYSA-N 1 1 352.398 2.199 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCCO)C2)nc1-c1ccc(F)cc1 ZINC000450617498 560268186 /nfs/dbraw/zinc/26/81/86/560268186.db2.gz RBQRQSULCNISTP-INIZCTEOSA-N 1 1 374.416 3.055 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000450799690 560273908 /nfs/dbraw/zinc/27/39/08/560273908.db2.gz XBVRFVGCOQDYQT-BETUJISGSA-N 1 1 360.414 2.043 20 5 FEBDMO Cc1nn(CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000450966613 560280419 /nfs/dbraw/zinc/28/04/19/560280419.db2.gz YREAFHYGTJHDBW-OAHLLOKOSA-N 1 1 357.414 2.005 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000451425456 560306415 /nfs/dbraw/zinc/30/64/15/560306415.db2.gz UEQHCHLXWXRCJS-LXZKKBNFSA-N 1 1 363.414 2.167 20 5 FEBDMO C[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000451707580 560323737 /nfs/dbraw/zinc/32/37/37/560323737.db2.gz LPFYZOSRHZFMRQ-KRWDZBQOSA-N 1 1 370.453 2.210 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909561 560336499 /nfs/dbraw/zinc/33/64/99/560336499.db2.gz XGUVRGXMFPNDLD-ACJLOTCBSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909561 560336500 /nfs/dbraw/zinc/33/65/00/560336500.db2.gz XGUVRGXMFPNDLD-ACJLOTCBSA-N 1 1 363.414 2.433 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452369902 560360826 /nfs/dbraw/zinc/36/08/26/560360826.db2.gz FFBXEZAODAWLEF-AEFFLSMTSA-N 1 1 363.458 2.127 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454066010 560426243 /nfs/dbraw/zinc/42/62/43/560426243.db2.gz HBQUERMVAZHFFJ-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO CNc1nc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000454297955 560438446 /nfs/dbraw/zinc/43/84/46/560438446.db2.gz OUNKMAHCRBMRJF-CQSZACIVSA-N 1 1 359.386 2.191 20 5 FEBDMO CNc1nc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)ccc1[N+](=O)[O-] ZINC000454305440 560438722 /nfs/dbraw/zinc/43/87/22/560438722.db2.gz SZKFEMVAFAWQQA-UHFFFAOYSA-N 1 1 369.425 2.298 20 5 FEBDMO COc1ccc(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000457927637 560594670 /nfs/dbraw/zinc/59/46/70/560594670.db2.gz MLNZVKLFXBGEKK-ZDUSSCGKSA-N 1 1 350.419 2.135 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000459330115 560680088 /nfs/dbraw/zinc/68/00/88/560680088.db2.gz ZCNDEDWISLSBFE-AWEZNQCLSA-N 1 1 362.430 2.231 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2ccc3c(c2)OCCO3)CC1 ZINC000459512365 560691018 /nfs/dbraw/zinc/69/10/18/560691018.db2.gz QRJNGAKALCXVAC-UHFFFAOYSA-N 1 1 370.409 2.126 20 5 FEBDMO Cn1c2ccccc2nc1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459512292 560691084 /nfs/dbraw/zinc/69/10/84/560691084.db2.gz QLZKYHDOGITDIE-UHFFFAOYSA-N 1 1 366.425 2.241 20 5 FEBDMO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000459704883 560703402 /nfs/dbraw/zinc/70/34/02/560703402.db2.gz MKXREACAUPMGBT-KXBFYZLASA-N 1 1 357.410 2.148 20 5 FEBDMO C[C@H](C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459818087 560710701 /nfs/dbraw/zinc/71/07/01/560710701.db2.gz XZUKWIQVMDVALS-GFCCVEGCSA-N 1 1 351.403 2.443 20 5 FEBDMO C[C@H](C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459818087 560710702 /nfs/dbraw/zinc/71/07/02/560710702.db2.gz XZUKWIQVMDVALS-GFCCVEGCSA-N 1 1 351.403 2.443 20 5 FEBDMO CC(C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000461269397 560765648 /nfs/dbraw/zinc/76/56/48/560765648.db2.gz WZABZWTYXNJMGU-DAYGRLMNSA-N 1 1 363.458 2.387 20 5 FEBDMO CC(C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000461269397 560765649 /nfs/dbraw/zinc/76/56/49/560765649.db2.gz WZABZWTYXNJMGU-DAYGRLMNSA-N 1 1 363.458 2.387 20 5 FEBDMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000462172641 560800057 /nfs/dbraw/zinc/80/00/57/560800057.db2.gz WGJYHKINWDOCQH-UHFFFAOYSA-N 1 1 356.382 2.377 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464798139 560851578 /nfs/dbraw/zinc/85/15/78/560851578.db2.gz IBUCRJBWTUDQBS-KZULUSFZSA-N 1 1 371.397 2.308 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000464798139 560851579 /nfs/dbraw/zinc/85/15/79/560851579.db2.gz IBUCRJBWTUDQBS-KZULUSFZSA-N 1 1 371.397 2.308 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000465115195 560858472 /nfs/dbraw/zinc/85/84/72/560858472.db2.gz XGYOGJIIFQUPOA-UHFFFAOYSA-N 1 1 374.397 2.010 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000467088053 560903281 /nfs/dbraw/zinc/90/32/81/560903281.db2.gz DIVCPKPYUCCILT-JQWIXIFHSA-N 1 1 361.489 2.316 20 5 FEBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000467545379 560912259 /nfs/dbraw/zinc/91/22/59/560912259.db2.gz BXKFPTBAFSUFHP-GOSISDBHSA-N 1 1 366.414 2.395 20 5 FEBDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000468113386 560922596 /nfs/dbraw/zinc/92/25/96/560922596.db2.gz MGPNFDOAOBBUCA-MFKMUULPSA-N 1 1 352.341 2.050 20 5 FEBDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000468113386 560922597 /nfs/dbraw/zinc/92/25/97/560922597.db2.gz MGPNFDOAOBBUCA-MFKMUULPSA-N 1 1 352.341 2.050 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000468635755 560934633 /nfs/dbraw/zinc/93/46/33/560934633.db2.gz STFNGBWQBIIXGY-HKBKRHGFSA-N 1 1 360.458 2.175 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000468635755 560934634 /nfs/dbraw/zinc/93/46/34/560934634.db2.gz STFNGBWQBIIXGY-HKBKRHGFSA-N 1 1 360.458 2.175 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000470183338 560976349 /nfs/dbraw/zinc/97/63/49/560976349.db2.gz QHVUFXYOZRCSLZ-DZXKJOIRSA-N 1 1 367.471 2.400 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000470183338 560976350 /nfs/dbraw/zinc/97/63/50/560976350.db2.gz QHVUFXYOZRCSLZ-DZXKJOIRSA-N 1 1 367.471 2.400 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472628789 561031517 /nfs/dbraw/zinc/03/15/17/561031517.db2.gz JTUZZHJKRVVYOK-CQSZACIVSA-N 1 1 366.393 2.053 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+]Cc2ccc(Cl)cn2)cc1[N+](=O)[O-] ZINC000473997642 561063128 /nfs/dbraw/zinc/06/31/28/561063128.db2.gz AYWHKMZGBQLPIY-UHFFFAOYSA-N 1 1 365.773 2.485 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000476649401 561125212 /nfs/dbraw/zinc/12/52/12/561125212.db2.gz RYAIHMOGRUNKTJ-KGLIPLIRSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000476649401 561125213 /nfs/dbraw/zinc/12/52/13/561125213.db2.gz RYAIHMOGRUNKTJ-KGLIPLIRSA-N 1 1 357.414 2.063 20 5 FEBDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000477017783 561134286 /nfs/dbraw/zinc/13/42/86/561134286.db2.gz PAUUEOXELFAEQZ-UHFFFAOYSA-N 1 1 368.397 2.369 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530811481 562424523 /nfs/dbraw/zinc/42/45/23/562424523.db2.gz SQGFRUVSNUAVKS-HXUWFJFHSA-N 1 1 369.421 2.190 20 5 FEBDMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000532174877 562469815 /nfs/dbraw/zinc/46/98/15/562469815.db2.gz HEDUFUFAHRAMNM-AEFFLSMTSA-N 1 1 372.425 2.449 20 5 FEBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000532563311 562481498 /nfs/dbraw/zinc/48/14/98/562481498.db2.gz OPBZJWXGABVLFQ-DOMZBBRYSA-N 1 1 373.409 2.412 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000533303639 562504592 /nfs/dbraw/zinc/50/45/92/562504592.db2.gz KEXIZQBQIXRKDS-HNNXBMFYSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000533303639 562504593 /nfs/dbraw/zinc/50/45/93/562504593.db2.gz KEXIZQBQIXRKDS-HNNXBMFYSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000533303639 562504594 /nfs/dbraw/zinc/50/45/94/562504594.db2.gz KEXIZQBQIXRKDS-HNNXBMFYSA-N 1 1 362.430 2.101 20 5 FEBDMO C[C@@H](O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000533429093 562508572 /nfs/dbraw/zinc/50/85/72/562508572.db2.gz CXISRHLARUYUFM-OAHLLOKOSA-N 1 1 369.421 2.367 20 5 FEBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000533429093 562508573 /nfs/dbraw/zinc/50/85/73/562508573.db2.gz CXISRHLARUYUFM-OAHLLOKOSA-N 1 1 369.421 2.367 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(OCCO)CC1 ZINC000533795797 562518197 /nfs/dbraw/zinc/51/81/97/562518197.db2.gz DHCQTMFFJBSCOC-LBPRGKRZSA-N 1 1 362.386 2.179 20 5 FEBDMO CC(C)OC(=O)C[C@@H](NC(=O)C[N@@H+](C)C(C)C)c1ccccc1[N+](=O)[O-] ZINC000604474377 568298990 /nfs/dbraw/zinc/29/89/90/568298990.db2.gz DICOHUCGRLJAKL-OAHLLOKOSA-N 1 1 365.430 2.434 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736457961 598500343 /nfs/dbraw/zinc/50/03/43/598500343.db2.gz SQJCCNAFEXYSNK-GFCCVEGCSA-N 1 1 360.422 2.236 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000808355588 674456287 /nfs/dbraw/zinc/45/62/87/674456287.db2.gz LUMHHECXGWFQRJ-LBPRGKRZSA-N 1 1 361.439 2.441 20 5 FEBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809824321 674513200 /nfs/dbraw/zinc/51/32/00/674513200.db2.gz OADIKYGUFLRZKD-UHFFFAOYSA-N 1 1 367.830 2.398 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820710929 606706263 /nfs/dbraw/zinc/70/62/63/606706263.db2.gz SZETYOWSUJEZDB-LLVKDONJSA-N 1 1 360.422 2.092 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000561733481 674694518 /nfs/dbraw/zinc/69/45/18/674694518.db2.gz UQEIGRHNWUKOJY-LBPRGKRZSA-N 1 1 359.448 2.002 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000561883588 674705145 /nfs/dbraw/zinc/70/51/45/674705145.db2.gz YZIJBZHPQQOVJK-UHFFFAOYSA-N 1 1 350.419 2.006 20 5 FEBDMO Cc1csc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC001048608126 675012043 /nfs/dbraw/zinc/01/20/43/675012043.db2.gz VFFOPRQGVCXOTJ-KBUPBQIOSA-N 1 1 366.487 2.129 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000609269188 675916228 /nfs/dbraw/zinc/91/62/28/675916228.db2.gz MRAHZVQRRPHLGE-ZIAGYGMSSA-N 1 1 367.471 2.302 20 5 FEBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000609441063 675922220 /nfs/dbraw/zinc/92/22/20/675922220.db2.gz BWJGYRHRYSFNFW-INIZCTEOSA-N 1 1 351.378 2.061 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000609673382 675932011 /nfs/dbraw/zinc/93/20/11/675932011.db2.gz DFXYPQLVFALPNY-ZIAGYGMSSA-N 1 1 355.460 2.444 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccs1 ZINC000119339894 671897195 /nfs/dbraw/zinc/89/71/95/671897195.db2.gz QNLKOPBYCJKZLD-SNVBAGLBSA-N 1 1 361.470 2.299 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000120196283 671919257 /nfs/dbraw/zinc/91/92/57/671919257.db2.gz MFCYMJKIVUTSDP-ZDUSSCGKSA-N 1 1 373.450 2.380 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000610135394 675956212 /nfs/dbraw/zinc/95/62/12/675956212.db2.gz RCWVQNIBOYHXMA-KBPBESRZSA-N 1 1 355.460 2.397 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000584165912 672162228 /nfs/dbraw/zinc/16/22/28/672162228.db2.gz RJTBZJIJEOZLRU-CYBMUJFWSA-N 1 1 367.471 2.398 20 5 FEBDMO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@@H]2C1 ZINC000585798990 672235699 /nfs/dbraw/zinc/23/56/99/672235699.db2.gz VLMUNKOUUQEGMC-ZIAGYGMSSA-N 1 1 361.423 2.355 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@@H]2C1 ZINC000585798990 672235701 /nfs/dbraw/zinc/23/57/01/672235701.db2.gz VLMUNKOUUQEGMC-ZIAGYGMSSA-N 1 1 361.423 2.355 20 5 FEBDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174837389 672363820 /nfs/dbraw/zinc/36/38/20/672363820.db2.gz QANRXFYPUWZFND-HNNXBMFYSA-N 1 1 351.451 2.200 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590045371 672555975 /nfs/dbraw/zinc/55/59/75/672555975.db2.gz QEHKSHNBZMFHDX-HZMBPMFUSA-N 1 1 368.231 2.442 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590045375 672556035 /nfs/dbraw/zinc/55/60/35/672556035.db2.gz QEHKSHNBZMFHDX-IINYFYTJSA-N 1 1 368.231 2.442 20 5 FEBDMO CN(C)C(=O)N[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590764168 672614983 /nfs/dbraw/zinc/61/49/83/672614983.db2.gz BKNYPKZCAKZWHS-CQSZACIVSA-N 1 1 350.419 2.099 20 5 FEBDMO C[N@@H+](CCCOC(C)(C)C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591477972 672685293 /nfs/dbraw/zinc/68/52/93/672685293.db2.gz PUNSYEBOKXTNBN-UHFFFAOYSA-N 1 1 373.475 2.010 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](CC)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000593070292 672871762 /nfs/dbraw/zinc/87/17/62/672871762.db2.gz WBWHSCNEFQLSCE-ZDUSSCGKSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000593070292 672871764 /nfs/dbraw/zinc/87/17/64/672871764.db2.gz WBWHSCNEFQLSCE-ZDUSSCGKSA-N 1 1 351.403 2.433 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCOC1 ZINC000593071094 672872166 /nfs/dbraw/zinc/87/21/66/672872166.db2.gz ZTPOCKXIGXQEDV-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO CC[N@@H+](CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593627255 672962197 /nfs/dbraw/zinc/96/21/97/672962197.db2.gz OVJZITSASDTHEO-UHFFFAOYSA-N 1 1 370.475 2.313 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000594198717 673043244 /nfs/dbraw/zinc/04/32/44/673043244.db2.gz VIZVKSPSZAUUCI-KBPBESRZSA-N 1 1 351.378 2.489 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484380 673088359 /nfs/dbraw/zinc/08/83/59/673088359.db2.gz QLFMGHWUWJVFQD-DZGCQCFKSA-N 1 1 353.444 2.198 20 5 FEBDMO CS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594603880 673105571 /nfs/dbraw/zinc/10/55/71/673105571.db2.gz WHHQFMMDBAZFHW-UKRRQHHQSA-N 1 1 353.444 2.427 20 5 FEBDMO CS(=O)(=O)c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594603880 673105573 /nfs/dbraw/zinc/10/55/73/673105573.db2.gz WHHQFMMDBAZFHW-UKRRQHHQSA-N 1 1 353.444 2.427 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000594788725 673142449 /nfs/dbraw/zinc/14/24/49/673142449.db2.gz GXKFUNHAJFEAFP-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000594788725 673142450 /nfs/dbraw/zinc/14/24/50/673142450.db2.gz GXKFUNHAJFEAFP-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594793054 673144698 /nfs/dbraw/zinc/14/46/98/673144698.db2.gz TXEOPRRMJRZWLZ-LLVKDONJSA-N 1 1 361.851 2.399 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000594793054 673144702 /nfs/dbraw/zinc/14/47/02/673144702.db2.gz TXEOPRRMJRZWLZ-LLVKDONJSA-N 1 1 361.851 2.399 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000595411096 673245947 /nfs/dbraw/zinc/24/59/47/673245947.db2.gz NUBDYMJGUHQSDP-CYBMUJFWSA-N 1 1 371.434 2.134 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595411096 673245951 /nfs/dbraw/zinc/24/59/51/673245951.db2.gz NUBDYMJGUHQSDP-CYBMUJFWSA-N 1 1 371.434 2.134 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695927 673283423 /nfs/dbraw/zinc/28/34/23/673283423.db2.gz JGGQKRFLLPEWOI-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695927 673283425 /nfs/dbraw/zinc/28/34/25/673283425.db2.gz JGGQKRFLLPEWOI-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCSCC1 ZINC000462997551 673292588 /nfs/dbraw/zinc/29/25/88/673292588.db2.gz QSRFZIHEHLSMTM-HNNXBMFYSA-N 1 1 351.472 2.329 20 5 FEBDMO O=[N+]([O-])c1ccc(NC(=S)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000731941055 673348941 /nfs/dbraw/zinc/34/89/41/673348941.db2.gz VSXKWMAEGPUJIK-MRXNPFEDSA-N 1 1 364.471 2.478 20 5 FEBDMO COC(=O)c1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427248 673384392 /nfs/dbraw/zinc/38/43/92/673384392.db2.gz DNJPWJIUWPSUSO-OLZOCXBDSA-N 1 1 351.403 2.211 20 5 FEBDMO COC(=O)c1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427248 673384395 /nfs/dbraw/zinc/38/43/95/673384395.db2.gz DNJPWJIUWPSUSO-OLZOCXBDSA-N 1 1 351.403 2.211 20 5 FEBDMO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596477252 673388479 /nfs/dbraw/zinc/38/84/79/673388479.db2.gz IFUONBXWXIKHBC-GFCCVEGCSA-N 1 1 368.459 2.061 20 5 FEBDMO Nc1c(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091752 673446072 /nfs/dbraw/zinc/44/60/72/673446072.db2.gz CUBILPXOJBCOOG-LLVKDONJSA-N 1 1 353.810 2.436 20 5 FEBDMO CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000597577252 673489196 /nfs/dbraw/zinc/48/91/96/673489196.db2.gz ZVQRPMBPXSDNCR-UONOGXRCSA-N 1 1 351.378 2.252 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597577938 673489298 /nfs/dbraw/zinc/48/92/98/673489298.db2.gz IBFNUESISXPFBH-ZIAGYGMSSA-N 1 1 351.378 2.008 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCC[NH+]1CCOCC1 ZINC000735893229 673506434 /nfs/dbraw/zinc/50/64/34/673506434.db2.gz AJMXYOJGLLMWCZ-LBPRGKRZSA-N 1 1 372.805 2.281 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000539809805 673507499 /nfs/dbraw/zinc/50/74/99/673507499.db2.gz HIPWASUGCINTSS-GFCCVEGCSA-N 1 1 354.838 2.432 20 5 FEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000540021654 673519896 /nfs/dbraw/zinc/51/98/96/673519896.db2.gz VGPOVCREMNAHTG-WDEREUQCSA-N 1 1 370.247 2.451 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598609116 673589743 /nfs/dbraw/zinc/58/97/43/673589743.db2.gz QSTGVTLSYOUVEC-DGCLKSJQSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598609116 673589749 /nfs/dbraw/zinc/58/97/49/673589749.db2.gz QSTGVTLSYOUVEC-DGCLKSJQSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c(C)c1[N+](=O)[O-] ZINC000598608454 673589913 /nfs/dbraw/zinc/58/99/13/673589913.db2.gz SSPFCGVNECSBJV-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c(C)c1[N+](=O)[O-] ZINC000598608454 673589914 /nfs/dbraw/zinc/58/99/14/673589914.db2.gz SSPFCGVNECSBJV-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598616877 673591122 /nfs/dbraw/zinc/59/11/22/673591122.db2.gz FNDZMHBLIRPMPA-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000542749332 673601899 /nfs/dbraw/zinc/60/18/99/673601899.db2.gz DOTZTECRWYKSLE-CQSZACIVSA-N 1 1 355.460 2.364 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCc3nccc(Br)c3C2)n1 ZINC000598945483 673623956 /nfs/dbraw/zinc/62/39/56/673623956.db2.gz JDCXLLLMYGXGIO-UHFFFAOYSA-N 1 1 352.192 2.007 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000599414187 673672249 /nfs/dbraw/zinc/67/22/49/673672249.db2.gz ABAITKIFSVYMGN-ZDUSSCGKSA-N 1 1 355.460 2.167 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cccc1[N+](=O)[O-] ZINC000599632326 673700091 /nfs/dbraw/zinc/70/00/91/673700091.db2.gz ZRWUWRXZCYGRLG-PJGQNWHFSA-N 1 1 365.455 2.217 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH+](CCCF)CC1 ZINC000600072204 673738596 /nfs/dbraw/zinc/73/85/96/673738596.db2.gz OZXPHRGOGJBCSK-UHFFFAOYSA-N 1 1 374.210 2.475 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000602889783 673912744 /nfs/dbraw/zinc/91/27/44/673912744.db2.gz VMQVGTKWCTWPRM-RRFJBIMHSA-N 1 1 350.419 2.153 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000567609640 675306102 /nfs/dbraw/zinc/30/61/02/675306102.db2.gz UUTABJUZXVUNJC-CQSZACIVSA-N 1 1 351.403 2.431 20 5 FEBDMO CC(C)(C[NH+]1CCOCC1)NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000822710690 675502040 /nfs/dbraw/zinc/50/20/40/675502040.db2.gz UCXKVBGCNYHXQL-UHFFFAOYSA-N 1 1 369.849 2.408 20 5 FEBDMO C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000824926671 675629257 /nfs/dbraw/zinc/62/92/57/675629257.db2.gz QETLCZDPONRPKB-TXEJJXNPSA-N 1 1 372.263 2.244 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827288897 675745671 /nfs/dbraw/zinc/74/56/71/675745671.db2.gz PUKUNNBOAIMPFG-NWDGAFQWSA-N 1 1 355.341 2.362 20 5 FEBDMO C[NH+]1CCN(C2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)CC1 ZINC000827445366 675756459 /nfs/dbraw/zinc/75/64/59/675756459.db2.gz MVJXTXPDTHLGSM-UHFFFAOYSA-N 1 1 366.849 2.100 20 5 FEBDMO CCO[C@H]1CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000616128687 676240261 /nfs/dbraw/zinc/24/02/61/676240261.db2.gz RDLQTQSBDNWUDR-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000616128687 676240262 /nfs/dbraw/zinc/24/02/62/676240262.db2.gz RDLQTQSBDNWUDR-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839485262 680755598 /nfs/dbraw/zinc/75/55/98/680755598.db2.gz OZVTVADJLKPGBJ-UHFFFAOYSA-N 1 1 356.810 2.035 20 5 FEBDMO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@@H]3CCOC3)CC2)c1Br ZINC000839531131 680759787 /nfs/dbraw/zinc/75/97/87/680759787.db2.gz YMXOEBJJUKLURV-CYBMUJFWSA-N 1 1 370.247 2.264 20 5 FEBDMO COC(=O)C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCOC1 ZINC000839559579 680761624 /nfs/dbraw/zinc/76/16/24/680761624.db2.gz JDMUNYGQCMOTLX-CQSZACIVSA-N 1 1 373.203 2.169 20 5 FEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000839675459 680770777 /nfs/dbraw/zinc/77/07/77/680770777.db2.gz YWYVBQLLAYKDHD-UHFFFAOYSA-N 1 1 352.391 2.046 20 5 FEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000839675459 680770778 /nfs/dbraw/zinc/77/07/78/680770778.db2.gz YWYVBQLLAYKDHD-UHFFFAOYSA-N 1 1 352.391 2.046 20 5 FEBDMO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000839675459 680770779 /nfs/dbraw/zinc/77/07/79/680770779.db2.gz YWYVBQLLAYKDHD-UHFFFAOYSA-N 1 1 352.391 2.046 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000840949727 680856092 /nfs/dbraw/zinc/85/60/92/680856092.db2.gz BCQNVUWRHACBCE-UHFFFAOYSA-N 1 1 358.807 2.122 20 5 FEBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748843920 680000041 /nfs/dbraw/zinc/00/00/41/680000041.db2.gz IVUXQHGQIADNGA-LBPRGKRZSA-N 1 1 350.375 2.272 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000750965801 680143184 /nfs/dbraw/zinc/14/31/84/680143184.db2.gz OCPGTQWIPYWHFF-UHFFFAOYSA-N 1 1 373.203 2.236 20 5 FEBDMO O=C(N1CC[C@H]([NH+]2CCC2)[C@H](F)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000834594147 680245419 /nfs/dbraw/zinc/24/54/19/680245419.db2.gz SVLKMPNIDJUYDL-KGLIPLIRSA-N 1 1 357.332 2.331 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000755776901 680435328 /nfs/dbraw/zinc/43/53/28/680435328.db2.gz AGYDLMUNGYJLON-AWEZNQCLSA-N 1 1 352.387 2.117 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000759774234 680666920 /nfs/dbraw/zinc/66/69/20/680666920.db2.gz KTJNMWUPQMFYKF-WCQYABFASA-N 1 1 373.450 2.441 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C[N@@H+]1CCO ZINC000841613991 680903609 /nfs/dbraw/zinc/90/36/09/680903609.db2.gz DDVGUAWMGFTUMC-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C[N@H+]1CCO ZINC000841613991 680903610 /nfs/dbraw/zinc/90/36/10/680903610.db2.gz DDVGUAWMGFTUMC-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO C[N@@H+]1CCO[C@H](CSCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000842652267 680957352 /nfs/dbraw/zinc/95/73/52/680957352.db2.gz NOZUXQHLJVKNSU-NSHDSACASA-N 1 1 359.835 2.251 20 5 FEBDMO C[N@H+]1CCO[C@H](CSCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000842652267 680957353 /nfs/dbraw/zinc/95/73/53/680957353.db2.gz NOZUXQHLJVKNSU-NSHDSACASA-N 1 1 359.835 2.251 20 5 FEBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000842826479 680970021 /nfs/dbraw/zinc/97/00/21/680970021.db2.gz SUCZGGKBOCFKIS-LLVKDONJSA-N 1 1 361.851 2.319 20 5 FEBDMO CNC(=O)CCC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000846895453 681304428 /nfs/dbraw/zinc/30/44/28/681304428.db2.gz OKEGZOQLSBMZPO-UHFFFAOYSA-N 1 1 356.220 2.242 20 5 FEBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000847946950 681454303 /nfs/dbraw/zinc/45/43/03/681454303.db2.gz OPIWMWXNKOLZDN-UHFFFAOYSA-N 1 1 367.768 2.002 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848509025 681566610 /nfs/dbraw/zinc/56/66/10/681566610.db2.gz RJAXNFMHXKLWAI-UONOGXRCSA-N 1 1 371.434 2.338 20 5 FEBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778271862 681591878 /nfs/dbraw/zinc/59/18/78/681591878.db2.gz BZDNCXWFYLFKQP-UHFFFAOYSA-N 1 1 360.399 2.349 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000934594203 681598237 /nfs/dbraw/zinc/59/82/37/681598237.db2.gz XTXRAVHXMHCTNR-CYBMUJFWSA-N 1 1 367.833 2.114 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000779905621 681769708 /nfs/dbraw/zinc/76/97/08/681769708.db2.gz XNSXEJXZJDGING-JTQLQIEISA-N 1 1 361.851 2.177 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000917908865 685535621 /nfs/dbraw/zinc/53/56/21/685535621.db2.gz KDYDLMFIRHVIMY-RYUDHWBXSA-N 1 1 359.835 2.153 20 5 FEBDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000785734677 682321662 /nfs/dbraw/zinc/32/16/62/682321662.db2.gz UKSJYOCLQLAOJF-QWRGUYRKSA-N 1 1 353.350 2.088 20 5 FEBDMO CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852697034 682322106 /nfs/dbraw/zinc/32/21/06/682322106.db2.gz LEWMITPPSKLHPX-ZDUSSCGKSA-N 1 1 350.375 2.240 20 5 FEBDMO CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000852697034 682322110 /nfs/dbraw/zinc/32/21/10/682322110.db2.gz LEWMITPPSKLHPX-ZDUSSCGKSA-N 1 1 350.375 2.240 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC[C@H]2N1 ZINC000853557425 682433701 /nfs/dbraw/zinc/43/37/01/682433701.db2.gz KXBBMFHQLCVOAC-QMTHXVAHSA-N 1 1 363.805 2.156 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC[C@H]2N1 ZINC000853557425 682433703 /nfs/dbraw/zinc/43/37/03/682433703.db2.gz KXBBMFHQLCVOAC-QMTHXVAHSA-N 1 1 363.805 2.156 20 5 FEBDMO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000856736174 682801498 /nfs/dbraw/zinc/80/14/98/682801498.db2.gz MBTMONGIWBXCAM-NSHDSACASA-N 1 1 356.220 2.268 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=S)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000795095105 683017412 /nfs/dbraw/zinc/01/74/12/683017412.db2.gz BQYRWHPWZHNNLM-HNNXBMFYSA-N 1 1 350.488 2.428 20 5 FEBDMO O=C(CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000859886397 683168652 /nfs/dbraw/zinc/16/86/52/683168652.db2.gz COAORGKIZZUTJD-UXGGDIESSA-N 1 1 369.418 2.048 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798227963 683325532 /nfs/dbraw/zinc/32/55/32/683325532.db2.gz BKSPMPNCOGZLSN-VIFPVBQESA-N 1 1 367.830 2.396 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928446091 683453357 /nfs/dbraw/zinc/45/33/57/683453357.db2.gz VDHVHERKRCQDQE-BXUZGUMPSA-N 1 1 353.444 2.156 20 5 FEBDMO O=[N+]([O-])CC[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000930301878 683707446 /nfs/dbraw/zinc/70/74/46/683707446.db2.gz GCAOMICEOJJSLT-JTQLQIEISA-N 1 1 357.126 2.368 20 5 FEBDMO C[NH+]1CCN(C2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)CC1 ZINC000866214852 684083525 /nfs/dbraw/zinc/08/35/25/684083525.db2.gz RYZLOVPGGBVGIY-UHFFFAOYSA-N 1 1 361.471 2.421 20 5 FEBDMO COC(=O)C[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000932109765 684409363 /nfs/dbraw/zinc/40/93/63/684409363.db2.gz ZESZEQOQEJZKLI-CHWSQXEVSA-N 1 1 352.387 2.113 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000872662593 684999819 /nfs/dbraw/zinc/99/98/19/684999819.db2.gz JCSDVNVIMXZIOK-CABCVRRESA-N 1 1 353.444 2.069 20 5 FEBDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136982 687004929 /nfs/dbraw/zinc/00/49/29/687004929.db2.gz VUAXSQODBMTBBT-HZPDHXFCSA-N 1 1 350.394 2.231 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136982 687004931 /nfs/dbraw/zinc/00/49/31/687004931.db2.gz VUAXSQODBMTBBT-HZPDHXFCSA-N 1 1 350.394 2.231 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136982 687004934 /nfs/dbraw/zinc/00/49/34/687004934.db2.gz VUAXSQODBMTBBT-HZPDHXFCSA-N 1 1 350.394 2.231 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000881880767 687245521 /nfs/dbraw/zinc/24/55/21/687245521.db2.gz DVVCHBFBQIYNOD-GFCCVEGCSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000881880767 687245528 /nfs/dbraw/zinc/24/55/28/687245528.db2.gz DVVCHBFBQIYNOD-GFCCVEGCSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884951475 687972728 /nfs/dbraw/zinc/97/27/28/687972728.db2.gz DZAJHFXVPBFUKW-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886804324 688315495 /nfs/dbraw/zinc/31/54/95/688315495.db2.gz VOVCFVISPKFLHP-AWEZNQCLSA-N 1 1 361.320 2.170 20 5 FEBDMO C[C@@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895250053 689684640 /nfs/dbraw/zinc/68/46/40/689684640.db2.gz ZWBVSHQCFMSFQU-BZNIZROVSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895250053 689684645 /nfs/dbraw/zinc/68/46/45/689684645.db2.gz ZWBVSHQCFMSFQU-BZNIZROVSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895250053 689684649 /nfs/dbraw/zinc/68/46/49/689684649.db2.gz ZWBVSHQCFMSFQU-BZNIZROVSA-N 1 1 363.849 2.265 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@@H]3CCC[N@H+]4CCSC[C@H]34)cc2N1 ZINC000895573435 689738191 /nfs/dbraw/zinc/73/81/91/689738191.db2.gz YICMMIVYCCZHAV-MLGOLLRUSA-N 1 1 362.455 2.471 20 5 FEBDMO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000895797188 689772395 /nfs/dbraw/zinc/77/23/95/689772395.db2.gz WAKSGXQKKWOSGG-HQJQHLMTSA-N 1 1 353.227 2.424 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000898162836 690137088 /nfs/dbraw/zinc/13/70/88/690137088.db2.gz LMWYRQLUISXYRH-FRRDWIJNSA-N 1 1 367.833 2.426 20 5 FEBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900647922 690543065 /nfs/dbraw/zinc/54/30/65/690543065.db2.gz UVFHCXASXANKRA-UHFFFAOYSA-N 1 1 372.828 2.097 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000900719353 690553041 /nfs/dbraw/zinc/55/30/41/690553041.db2.gz GTERYSAAPYVAJN-CYBMUJFWSA-N 1 1 353.806 2.231 20 5 FEBDMO CCc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153178891 719459246 /nfs/dbraw/zinc/45/92/46/719459246.db2.gz ABBMJOZICIDHHA-DLBZAZTESA-N 1 1 369.425 2.133 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(F)c1 ZINC001164865829 721073802 /nfs/dbraw/zinc/07/38/02/721073802.db2.gz AICZNBOWOJKWOE-JKSUJKDBSA-N 1 1 373.388 2.004 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924731 721860332 /nfs/dbraw/zinc/86/03/32/721860332.db2.gz DDRKKRMSPYDMDC-IAGOWNOFSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924731 721860334 /nfs/dbraw/zinc/86/03/34/721860334.db2.gz DDRKKRMSPYDMDC-IAGOWNOFSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000023977038 539722778 /nfs/dbraw/zinc/72/27/78/539722778.db2.gz FZZXZJKUDFBPHN-CYBMUJFWSA-N 1 1 355.441 2.238 20 5 FEBDMO COCC[N@@H+](Cc1ccco1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026449629 539786257 /nfs/dbraw/zinc/78/62/57/539786257.db2.gz DGHZRKSTZYIOFG-OAHLLOKOSA-N 1 1 350.371 2.076 20 5 FEBDMO COCC[N@H+](Cc1ccco1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026449629 539786263 /nfs/dbraw/zinc/78/62/63/539786263.db2.gz DGHZRKSTZYIOFG-OAHLLOKOSA-N 1 1 350.371 2.076 20 5 FEBDMO CCC(CC)[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000029147544 539844171 /nfs/dbraw/zinc/84/41/71/539844171.db2.gz ZHTVDGXEENQCFG-KRWDZBQOSA-N 1 1 364.446 2.243 20 5 FEBDMO CSc1ccc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268195 539932483 /nfs/dbraw/zinc/93/24/83/539932483.db2.gz OAWPCXBWZQXMLV-CQSZACIVSA-N 1 1 367.471 2.403 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032441211 539939091 /nfs/dbraw/zinc/93/90/91/539939091.db2.gz GFXNNVCFNOZJQA-KBPBESRZSA-N 1 1 355.460 2.444 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000041442470 540022049 /nfs/dbraw/zinc/02/20/49/540022049.db2.gz SBPPWSASOMFCJQ-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO CC(C)C[C@@H](CNC(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000045492177 540215210 /nfs/dbraw/zinc/21/52/10/540215210.db2.gz ARHJAFICAZBJRR-INIZCTEOSA-N 1 1 364.446 2.141 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000047144363 540292482 /nfs/dbraw/zinc/29/24/82/540292482.db2.gz YIZPWXAJXGQZIP-CQSZACIVSA-N 1 1 357.414 2.385 20 5 FEBDMO C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C[C@@H](C)O1 ZINC000048358737 540358908 /nfs/dbraw/zinc/35/89/08/540358908.db2.gz OQZVHZHOAPNTLQ-ZIAGYGMSSA-N 1 1 372.425 2.462 20 5 FEBDMO CCN1CC[NH+](Cc2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000048845086 540374939 /nfs/dbraw/zinc/37/49/39/540374939.db2.gz GIIZMQKLJKBZOX-UHFFFAOYSA-N 1 1 372.425 2.255 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3OCCO3)C2)cccc1[N+](=O)[O-] ZINC000076294542 542255852 /nfs/dbraw/zinc/25/58/52/542255852.db2.gz UMUSQQIOZLQFMG-KBPBESRZSA-N 1 1 363.414 2.315 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000052753739 540487716 /nfs/dbraw/zinc/48/77/16/540487716.db2.gz YINFLXIWZGWURL-CYBMUJFWSA-N 1 1 363.414 2.433 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000053845853 540557817 /nfs/dbraw/zinc/55/78/17/540557817.db2.gz OGNLEVGDLGDGAV-CQSZACIVSA-N 1 1 374.441 2.256 20 5 FEBDMO O=C(NC1CC1)C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000055912742 540686118 /nfs/dbraw/zinc/68/61/18/540686118.db2.gz ZRECWQRZEJRLOX-UHFFFAOYSA-N 1 1 371.397 2.135 20 5 FEBDMO Cn1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000055996739 540692970 /nfs/dbraw/zinc/69/29/70/540692970.db2.gz BDPRBGPBTYMOTO-DLBZAZTESA-N 1 1 369.425 2.352 20 5 FEBDMO Cc1c(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000056965601 540758424 /nfs/dbraw/zinc/75/84/24/540758424.db2.gz KCULCNNGFYJGTC-UHFFFAOYSA-N 1 1 368.437 2.455 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000359872602 223134221 /nfs/dbraw/zinc/13/42/21/223134221.db2.gz OPYXUNYYBMUTKP-IAGOWNOFSA-N 1 1 357.410 2.294 20 5 FEBDMO CC[NH+]1CCN(C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)CC1 ZINC000061469128 541131031 /nfs/dbraw/zinc/13/10/31/541131031.db2.gz ZYXSBVQKKHQGKN-UHFFFAOYSA-N 1 1 371.441 2.234 20 5 FEBDMO C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000062047477 541143934 /nfs/dbraw/zinc/14/39/34/541143934.db2.gz GIQZQCLZQXTPLD-HUUCEWRRSA-N 1 1 363.462 2.426 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000063530471 541171996 /nfs/dbraw/zinc/17/19/96/541171996.db2.gz KXLWTKPXJYYCDL-CYBMUJFWSA-N 1 1 363.414 2.232 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063582411 541174235 /nfs/dbraw/zinc/17/42/35/541174235.db2.gz KNQZYUYTKBVCCO-ZDUSSCGKSA-N 1 1 368.397 2.352 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000063835143 541188198 /nfs/dbraw/zinc/18/81/98/541188198.db2.gz IZJPGQQPNNXZLO-ZDUSSCGKSA-N 1 1 365.430 2.462 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000063739017 541182604 /nfs/dbraw/zinc/18/26/04/541182604.db2.gz YAPGHVQKXQRGGM-CYBMUJFWSA-N 1 1 370.475 2.035 20 5 FEBDMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)CC1 ZINC000065869615 541267859 /nfs/dbraw/zinc/26/78/59/541267859.db2.gz OOHDLOCTBXYUGF-UHFFFAOYSA-N 1 1 374.422 2.296 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000247388584 549327085 /nfs/dbraw/zinc/32/70/85/549327085.db2.gz LXBYZKTWJKNMKA-CXAGYDPISA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000068305688 541574564 /nfs/dbraw/zinc/57/45/64/541574564.db2.gz ZDBBKRQHAWMABM-UONOGXRCSA-N 1 1 363.414 2.023 20 5 FEBDMO CN1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)Cc2ccccc21 ZINC000069088365 541656046 /nfs/dbraw/zinc/65/60/46/541656046.db2.gz CRFLASUQCQNYCA-UHFFFAOYSA-N 1 1 366.421 2.436 20 5 FEBDMO CN1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)Cc2ccccc21 ZINC000069088365 541656050 /nfs/dbraw/zinc/65/60/50/541656050.db2.gz CRFLASUQCQNYCA-UHFFFAOYSA-N 1 1 366.421 2.436 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069298937 541675983 /nfs/dbraw/zinc/67/59/83/541675983.db2.gz OBRGDYAAGSUEJR-AWEZNQCLSA-N 1 1 350.419 2.003 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000069474247 541688578 /nfs/dbraw/zinc/68/85/78/541688578.db2.gz XLRKYIZMCYUDOI-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000069531041 541694981 /nfs/dbraw/zinc/69/49/81/541694981.db2.gz OSSJIKFNYTWAOQ-DZGCQCFKSA-N 1 1 367.471 2.302 20 5 FEBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069742838 541709345 /nfs/dbraw/zinc/70/93/45/541709345.db2.gz PCKMZWJHGBIUEY-CYBMUJFWSA-N 1 1 367.833 2.433 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069746524 541710455 /nfs/dbraw/zinc/71/04/55/541710455.db2.gz COXLLGMTLIEESM-ZDUSSCGKSA-N 1 1 367.833 2.433 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071063401 541762046 /nfs/dbraw/zinc/76/20/46/541762046.db2.gz SDCPAZLTXIWPTD-INIZCTEOSA-N 1 1 355.394 2.364 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000072716364 541855315 /nfs/dbraw/zinc/85/53/15/541855315.db2.gz KPJSCFVNKVTAKS-GFCCVEGCSA-N 1 1 359.473 2.009 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000072716881 541856809 /nfs/dbraw/zinc/85/68/09/541856809.db2.gz DACYTVHFDKDJOE-OAHLLOKOSA-N 1 1 367.471 2.256 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000072898442 541891256 /nfs/dbraw/zinc/89/12/56/541891256.db2.gz SWKDNRXHFKEHKQ-CYBMUJFWSA-N 1 1 363.414 2.433 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000075639615 542195247 /nfs/dbraw/zinc/19/52/47/542195247.db2.gz CUCLHDUFYWYMLT-UHFFFAOYSA-N 1 1 355.460 2.336 20 5 FEBDMO CCCS(=O)(=O)NC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075638013 542195337 /nfs/dbraw/zinc/19/53/37/542195337.db2.gz VPEXEPNVFIWQMD-ZDUSSCGKSA-N 1 1 355.460 2.450 20 5 FEBDMO Cc1ccc(C[C@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000075676676 542198157 /nfs/dbraw/zinc/19/81/57/542198157.db2.gz FRNRQGYGWZIZDF-MJGOQNOKSA-N 1 1 358.442 2.415 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000075719857 542200582 /nfs/dbraw/zinc/20/05/82/542200582.db2.gz OADPYXSAHAIGNS-AWEZNQCLSA-N 1 1 367.471 2.437 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000075719854 542200598 /nfs/dbraw/zinc/20/05/98/542200598.db2.gz OADPYXSAHAIGNS-CQSZACIVSA-N 1 1 367.471 2.437 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000051003343 221033552 /nfs/dbraw/zinc/03/35/52/221033552.db2.gz AEPPUKWCGMJTDM-CYBMUJFWSA-N 1 1 363.414 2.200 20 5 FEBDMO C[S@](=O)c1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000080343269 542584649 /nfs/dbraw/zinc/58/46/49/542584649.db2.gz YVUAMZLBRJHQRK-RUZDIDTESA-N 1 1 362.407 2.393 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000080489086 542591607 /nfs/dbraw/zinc/59/16/07/542591607.db2.gz BVSSPMZALYTEQQ-UHFFFAOYSA-N 1 1 369.849 2.360 20 5 FEBDMO Cc1cccc(N2CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000033853109 132378088 /nfs/dbraw/zinc/37/80/88/132378088.db2.gz YQZWAGZXQKGPMY-GOSISDBHSA-N 1 1 371.437 2.465 20 5 FEBDMO Cc1ccc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000089962116 542778977 /nfs/dbraw/zinc/77/89/77/542778977.db2.gz HDLYIASZLDHPHI-ZWKOTPCHSA-N 1 1 369.421 2.268 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108406247 543289437 /nfs/dbraw/zinc/28/94/37/543289437.db2.gz JHNVHDOOGKHXHL-LLVKDONJSA-N 1 1 361.851 2.177 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000110347767 543356037 /nfs/dbraw/zinc/35/60/37/543356037.db2.gz UWQKUFOUIXNSCX-AWEZNQCLSA-N 1 1 373.457 2.435 20 5 FEBDMO CNC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000111267213 543390485 /nfs/dbraw/zinc/39/04/85/543390485.db2.gz IUWDCDGRTLMGIO-AAEUAGOBSA-N 1 1 359.386 2.164 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)CCc1ccccc1 ZINC000112698493 543457421 /nfs/dbraw/zinc/45/74/21/543457421.db2.gz DJSORPQGSMINLF-UHFFFAOYSA-N 1 1 373.409 2.079 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)CCc1ccccc1 ZINC000112698493 543457424 /nfs/dbraw/zinc/45/74/24/543457424.db2.gz DJSORPQGSMINLF-UHFFFAOYSA-N 1 1 373.409 2.079 20 5 FEBDMO C[C@H](CS(C)(=O)=O)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000113261148 543480121 /nfs/dbraw/zinc/48/01/21/543480121.db2.gz PZBYUVNZUZJULU-CYBMUJFWSA-N 1 1 356.444 2.261 20 5 FEBDMO C[C@H](CS(C)(=O)=O)[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000113261148 543480122 /nfs/dbraw/zinc/48/01/22/543480122.db2.gz PZBYUVNZUZJULU-CYBMUJFWSA-N 1 1 356.444 2.261 20 5 FEBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117341851 543629373 /nfs/dbraw/zinc/62/93/73/543629373.db2.gz XGVUIQRSNJHGHM-DZGCQCFKSA-N 1 1 360.414 2.061 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000122634141 543715039 /nfs/dbraw/zinc/71/50/39/543715039.db2.gz WFBXUKIFHZFDAO-LBPRGKRZSA-N 1 1 355.822 2.317 20 5 FEBDMO COCCOC[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128737193 544069369 /nfs/dbraw/zinc/06/93/69/544069369.db2.gz KXASJWXWZGXRFT-ZDUSSCGKSA-N 1 1 369.393 2.047 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000131531156 544193972 /nfs/dbraw/zinc/19/39/72/544193972.db2.gz NHMOBHMWYRHRET-BBRMVZONSA-N 1 1 371.441 2.277 20 5 FEBDMO Nc1ccc(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-] ZINC000108663206 222426545 /nfs/dbraw/zinc/42/65/45/222426545.db2.gz JCMVBEJGFJXOKE-UHFFFAOYSA-N 1 1 370.409 2.304 20 5 FEBDMO Cc1ccc(NCCCNC(=O)[C@H](C)[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000132320136 544227161 /nfs/dbraw/zinc/22/71/61/544227161.db2.gz QEFKBJURMFIKSP-AWEZNQCLSA-N 1 1 366.487 2.259 20 5 FEBDMO CCC(CC)[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000133273066 544262515 /nfs/dbraw/zinc/26/25/15/544262515.db2.gz FLQYYJYAJOMCGV-GOSISDBHSA-N 1 1 363.458 2.391 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(Cc2ccccc2)CC1 ZINC000132991691 544251724 /nfs/dbraw/zinc/25/17/24/544251724.db2.gz ZPUCBODOYNEYIZ-UHFFFAOYSA-N 1 1 370.453 2.353 20 5 FEBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000132991691 544251726 /nfs/dbraw/zinc/25/17/26/544251726.db2.gz ZPUCBODOYNEYIZ-UHFFFAOYSA-N 1 1 370.453 2.353 20 5 FEBDMO C[C@@H]1CN(C[C@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000135223281 544338259 /nfs/dbraw/zinc/33/82/59/544338259.db2.gz BTEWFKHAJXYQHO-RKVPGOIHSA-N 1 1 363.458 2.029 20 5 FEBDMO C[C@@H]1CN(C[C@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000135223281 544338260 /nfs/dbraw/zinc/33/82/60/544338260.db2.gz BTEWFKHAJXYQHO-RKVPGOIHSA-N 1 1 363.458 2.029 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H](O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000135223281 544338261 /nfs/dbraw/zinc/33/82/61/544338261.db2.gz BTEWFKHAJXYQHO-RKVPGOIHSA-N 1 1 363.458 2.029 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000146823173 544442240 /nfs/dbraw/zinc/44/22/40/544442240.db2.gz CWIZSBNPUNRIPL-NWDGAFQWSA-N 1 1 359.835 2.153 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000152571525 544669881 /nfs/dbraw/zinc/66/98/81/544669881.db2.gz QQCRABCUBYMKJO-ZDUSSCGKSA-N 1 1 368.865 2.252 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1C ZINC000152883653 544706090 /nfs/dbraw/zinc/70/60/90/544706090.db2.gz KWLFVIICBURVSJ-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152916231 544710331 /nfs/dbraw/zinc/71/03/31/544710331.db2.gz SPIXQLNHFIBVCX-ZFWWWQNUSA-N 1 1 353.444 2.008 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000153510170 544784792 /nfs/dbraw/zinc/78/47/92/544784792.db2.gz YREWRMIGEPDVON-KRWDZBQOSA-N 1 1 358.394 2.401 20 5 FEBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154037339 544856799 /nfs/dbraw/zinc/85/67/99/544856799.db2.gz WTKDRAZGRLJLBF-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154037339 544856802 /nfs/dbraw/zinc/85/68/02/544856802.db2.gz WTKDRAZGRLJLBF-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000154236306 544879715 /nfs/dbraw/zinc/87/97/15/544879715.db2.gz UYIZLWULNZPWNA-OAHLLOKOSA-N 1 1 351.451 2.117 20 5 FEBDMO CCN(CC)C(=O)C[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000155103905 544989952 /nfs/dbraw/zinc/98/99/52/544989952.db2.gz XQXVSWBFCOVBCK-UHFFFAOYSA-N 1 1 359.430 2.296 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000155103905 544989955 /nfs/dbraw/zinc/98/99/55/544989955.db2.gz XQXVSWBFCOVBCK-UHFFFAOYSA-N 1 1 359.430 2.296 20 5 FEBDMO COC(=O)c1cc(C)nc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000553058738 674235880 /nfs/dbraw/zinc/23/58/80/674235880.db2.gz LXLFWIFYPHTNAO-BETUJISGSA-N 1 1 350.419 2.760 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000553690128 674279652 /nfs/dbraw/zinc/27/96/52/674279652.db2.gz CCAMKIVILKMGRC-ZDUSSCGKSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1ccc(N2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])c1Br ZINC000804429372 674286035 /nfs/dbraw/zinc/28/60/35/674286035.db2.gz CNUHOEWHIJPSLX-NSHDSACASA-N 1 1 358.236 2.169 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+](C)C1CCCCC1 ZINC000553837751 674288480 /nfs/dbraw/zinc/28/84/80/674288480.db2.gz ZOCZRELJNWBZPP-UHFFFAOYSA-N 1 1 355.460 2.446 20 5 FEBDMO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187527197 328031766 /nfs/dbraw/zinc/03/17/66/328031766.db2.gz OGOHXCYOHPNHDD-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187527197 328031767 /nfs/dbraw/zinc/03/17/67/328031767.db2.gz OGOHXCYOHPNHDD-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3CO)o2)c(Cl)c1 ZINC000187665140 328038418 /nfs/dbraw/zinc/03/84/18/328038418.db2.gz YBXHQMZEXJWPLB-RYUDHWBXSA-N 1 1 352.774 2.436 20 5 FEBDMO CSc1cccc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000188018838 328060775 /nfs/dbraw/zinc/06/07/75/328060775.db2.gz PUPMHEDACOMRIJ-CYBMUJFWSA-N 1 1 367.471 2.403 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188622330 328099445 /nfs/dbraw/zinc/09/94/45/328099445.db2.gz KIYZGCYCEGVOTH-CQSZACIVSA-N 1 1 363.458 2.437 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000188821500 328112637 /nfs/dbraw/zinc/11/26/37/328112637.db2.gz JRCBDUXYQMGACC-UHFFFAOYSA-N 1 1 363.462 2.441 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](O)C(F)(F)F ZINC000189479188 328150716 /nfs/dbraw/zinc/15/07/16/328150716.db2.gz WHPQMUBLZKILFI-CYBMUJFWSA-N 1 1 363.336 2.477 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189665013 328160637 /nfs/dbraw/zinc/16/06/37/328160637.db2.gz BZSMRKSGLZZSFU-UHFFFAOYSA-N 1 1 357.414 2.396 20 5 FEBDMO COc1cc(C[N@H+](C)CC2(CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190029181 328183554 /nfs/dbraw/zinc/18/35/54/328183554.db2.gz QIUNHCGISOZIGF-UHFFFAOYSA-N 1 1 360.357 2.452 20 5 FEBDMO COc1cc(C[N@@H+](C)CC2(CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190029181 328183555 /nfs/dbraw/zinc/18/35/55/328183555.db2.gz QIUNHCGISOZIGF-UHFFFAOYSA-N 1 1 360.357 2.452 20 5 FEBDMO C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)NCC(F)(F)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000190325112 328200673 /nfs/dbraw/zinc/20/06/73/328200673.db2.gz ATOBRWHDSTUOPR-TXEJJXNPSA-N 1 1 370.400 2.401 20 5 FEBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191645502 328275606 /nfs/dbraw/zinc/27/56/06/328275606.db2.gz RJNGXPDFLBWEJN-MAUKXSAKSA-N 1 1 352.431 2.208 20 5 FEBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000191665348 328276492 /nfs/dbraw/zinc/27/64/92/328276492.db2.gz KDTRXIGZLUGBJS-FUHWJXTLSA-N 1 1 352.431 2.208 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191999118 328292933 /nfs/dbraw/zinc/29/29/33/328292933.db2.gz OAZXIKGCZJWXIU-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000193397985 328372782 /nfs/dbraw/zinc/37/27/82/328372782.db2.gz QCDUHXZFCUUIAK-BETUJISGSA-N 1 1 352.391 2.044 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000193397985 328372783 /nfs/dbraw/zinc/37/27/83/328372783.db2.gz QCDUHXZFCUUIAK-BETUJISGSA-N 1 1 352.391 2.044 20 5 FEBDMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000014194806 324378036 /nfs/dbraw/zinc/37/80/36/324378036.db2.gz HOQGRLCARJOCKI-UHFFFAOYSA-N 1 1 354.410 2.351 20 5 FEBDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000043285896 324542891 /nfs/dbraw/zinc/54/28/91/324542891.db2.gz HVIHEXSOZBWKRI-UHFFFAOYSA-N 1 1 371.441 2.259 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000049944397 324688027 /nfs/dbraw/zinc/68/80/27/324688027.db2.gz OKMNUXMEGIRJTB-CQSZACIVSA-N 1 1 362.342 2.437 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000078351260 325043499 /nfs/dbraw/zinc/04/34/99/325043499.db2.gz FTBGEOWSNXVDCZ-CQSZACIVSA-N 1 1 355.460 2.279 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000083025686 325210201 /nfs/dbraw/zinc/21/02/01/325210201.db2.gz WJTYTIUSLKUWCA-OKILXGFUSA-N 1 1 365.430 2.223 20 5 FEBDMO CCC[NH+]1CCC(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000101576289 325473067 /nfs/dbraw/zinc/47/30/67/325473067.db2.gz GGAQUWMOAMUHIQ-UHFFFAOYSA-N 1 1 359.423 2.134 20 5 FEBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000116271717 326002741 /nfs/dbraw/zinc/00/27/41/326002741.db2.gz OGLXKRGSLLXWJD-CQSZACIVSA-N 1 1 367.833 2.319 20 5 FEBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000116271717 326002746 /nfs/dbraw/zinc/00/27/46/326002746.db2.gz OGLXKRGSLLXWJD-CQSZACIVSA-N 1 1 367.833 2.319 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000118787471 326102733 /nfs/dbraw/zinc/10/27/33/326102733.db2.gz HCFWAOWFGKOOGX-CQSZACIVSA-N 1 1 363.462 2.298 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)n2)cc1 ZINC000119249652 326141526 /nfs/dbraw/zinc/14/15/26/326141526.db2.gz LUZYPZFYWYRHGU-CYBMUJFWSA-N 1 1 369.385 2.149 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)n2)cc1 ZINC000119249652 326141528 /nfs/dbraw/zinc/14/15/28/326141528.db2.gz LUZYPZFYWYRHGU-CYBMUJFWSA-N 1 1 369.385 2.149 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120290819 326247222 /nfs/dbraw/zinc/24/72/22/326247222.db2.gz VANQSHXDTUPKOJ-CYBMUJFWSA-N 1 1 373.450 2.380 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121304514 326328373 /nfs/dbraw/zinc/32/83/73/326328373.db2.gz UNAFOGNYRARVAQ-UHFFFAOYSA-N 1 1 374.441 2.176 20 5 FEBDMO Cc1c(NC(=O)C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000121709271 326360361 /nfs/dbraw/zinc/36/03/61/326360361.db2.gz ZQTSHZBYIPIHEX-ZDUSSCGKSA-N 1 1 374.441 2.317 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000122059783 326382204 /nfs/dbraw/zinc/38/22/04/326382204.db2.gz WSLDEKNQFQCNDC-UHFFFAOYSA-N 1 1 374.235 2.055 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161926428 327012637 /nfs/dbraw/zinc/01/26/37/327012637.db2.gz RGTYWYRMAPTFJA-CXAGYDPISA-N 1 1 358.442 2.408 20 5 FEBDMO O=C([C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCOCC1 ZINC000172174578 327185453 /nfs/dbraw/zinc/18/54/53/327185453.db2.gz OZCUURQCCHRFOT-ZDUSSCGKSA-N 1 1 367.833 2.319 20 5 FEBDMO O=C([C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCOCC1 ZINC000172174578 327185454 /nfs/dbraw/zinc/18/54/54/327185454.db2.gz OZCUURQCCHRFOT-ZDUSSCGKSA-N 1 1 367.833 2.319 20 5 FEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000173288031 327247201 /nfs/dbraw/zinc/24/72/01/327247201.db2.gz ZBCBTTYWWAPNAI-GOEBONIOSA-N 1 1 360.414 2.007 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000173665878 327274899 /nfs/dbraw/zinc/27/48/99/327274899.db2.gz SERFDKRTWFKFKR-AWEZNQCLSA-N 1 1 355.460 2.398 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173827689 327287086 /nfs/dbraw/zinc/28/70/86/327287086.db2.gz ILAWRDCIHDWZDI-UONOGXRCSA-N 1 1 353.444 2.151 20 5 FEBDMO CCOc1ccc(NC(=O)CN2CC[C@@H](C[N@@H+](C)CC)C2)c([N+](=O)[O-])c1 ZINC000173903721 327292941 /nfs/dbraw/zinc/29/29/41/327292941.db2.gz OZUCYVRFCZTGLK-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO CCc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000174224020 327313998 /nfs/dbraw/zinc/31/39/98/327313998.db2.gz FIRDZJCQSFKGAW-OAHLLOKOSA-N 1 1 361.442 2.342 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000174490846 327330526 /nfs/dbraw/zinc/33/05/26/327330526.db2.gz HQCSKMDRYQWJHH-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO COc1cccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCO2)c1 ZINC000174833855 327353799 /nfs/dbraw/zinc/35/37/99/327353799.db2.gz QSVYTGKBEAGGIY-SFHVURJKSA-N 1 1 360.414 2.481 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000175117003 327375068 /nfs/dbraw/zinc/37/50/68/327375068.db2.gz IQEWBYGCODFDQZ-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175208970 327380009 /nfs/dbraw/zinc/38/00/09/327380009.db2.gz PHXSZQAHEIKMCM-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000176725823 327472265 /nfs/dbraw/zinc/47/22/65/327472265.db2.gz UQMVXCKGUVGIEC-OAHLLOKOSA-N 1 1 364.446 2.328 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264854260 329067944 /nfs/dbraw/zinc/06/79/44/329067944.db2.gz CVBUKXFPXMBASI-AWEZNQCLSA-N 1 1 373.457 2.080 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264869171 329069102 /nfs/dbraw/zinc/06/91/02/329069102.db2.gz GJHJLIGMQGYREX-UHFFFAOYSA-N 1 1 374.441 2.439 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000264869171 329069104 /nfs/dbraw/zinc/06/91/04/329069104.db2.gz GJHJLIGMQGYREX-UHFFFAOYSA-N 1 1 374.441 2.439 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264869106 329069170 /nfs/dbraw/zinc/06/91/70/329069170.db2.gz GHZGANGGXIMULW-UHFFFAOYSA-N 1 1 373.457 2.174 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264869106 329069171 /nfs/dbraw/zinc/06/91/71/329069171.db2.gz GHZGANGGXIMULW-UHFFFAOYSA-N 1 1 373.457 2.174 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267524583 329335447 /nfs/dbraw/zinc/33/54/47/329335447.db2.gz RMWMYZUPILEEHP-SWLSCSKDSA-N 1 1 357.414 2.409 20 5 FEBDMO CC(=O)N1CCC(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272497454 329785665 /nfs/dbraw/zinc/78/56/65/329785665.db2.gz GERQSYVGIYEWMY-GOSISDBHSA-N 1 1 371.441 2.266 20 5 FEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000276602461 330169163 /nfs/dbraw/zinc/16/91/63/330169163.db2.gz OLSNGCHKUVKKSF-ZDUSSCGKSA-N 1 1 355.822 2.085 20 5 FEBDMO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000371457495 330244134 /nfs/dbraw/zinc/24/41/34/330244134.db2.gz IOOJZTBPQBWRDN-CDVVCGDMSA-N 1 1 372.469 2.235 20 5 FEBDMO C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000371457495 330244135 /nfs/dbraw/zinc/24/41/35/330244135.db2.gz IOOJZTBPQBWRDN-CDVVCGDMSA-N 1 1 372.469 2.235 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426240201 330271471 /nfs/dbraw/zinc/27/14/71/330271471.db2.gz VJJLXPLFNIHZKL-DJSGYFEHSA-N 1 1 351.403 2.166 20 5 FEBDMO C[NH+](C)C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000805120648 674320217 /nfs/dbraw/zinc/32/02/17/674320217.db2.gz BQPKLSIHJGKFIF-ZDUSSCGKSA-N 1 1 373.431 2.377 20 5 FEBDMO COCCO[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000555342103 674357578 /nfs/dbraw/zinc/35/75/78/674357578.db2.gz ZPSFNRUCBUWPAQ-CQSZACIVSA-N 1 1 354.403 2.239 20 5 FEBDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000555342103 674357582 /nfs/dbraw/zinc/35/75/82/674357582.db2.gz ZPSFNRUCBUWPAQ-CQSZACIVSA-N 1 1 354.403 2.239 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156335399 545619233 /nfs/dbraw/zinc/61/92/33/545619233.db2.gz PSOXSIGBDSQBHG-INIZCTEOSA-N 1 1 369.487 2.382 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@H+]1C ZINC000158422713 545859241 /nfs/dbraw/zinc/85/92/41/545859241.db2.gz LEVCSZOABGJFSX-ZIAGYGMSSA-N 1 1 357.414 2.335 20 5 FEBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1CC[N@H+]2CCC[C@H]2C1 ZINC000159076392 545919733 /nfs/dbraw/zinc/91/97/33/545919733.db2.gz CMQLUCPHEDBDNL-JTQLQIEISA-N 1 1 354.204 2.278 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183436 546417486 /nfs/dbraw/zinc/41/74/86/546417486.db2.gz DUUBKWQFYHCVPG-GOEBONIOSA-N 1 1 364.446 2.374 20 5 FEBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCN(c2ccccn2)CC1 ZINC000176286121 546427616 /nfs/dbraw/zinc/42/76/16/546427616.db2.gz AGSQYQDOLNSWCF-UHFFFAOYSA-N 1 1 358.446 2.425 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)nc2c1 ZINC000177070094 546538299 /nfs/dbraw/zinc/53/82/99/546538299.db2.gz GIQNQFUINZTFMF-CQSZACIVSA-N 1 1 360.414 2.280 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](CN4CCOCC4)C3)nc2c1 ZINC000177070094 546538303 /nfs/dbraw/zinc/53/83/03/546538303.db2.gz GIQNQFUINZTFMF-CQSZACIVSA-N 1 1 360.414 2.280 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000179756841 547008321 /nfs/dbraw/zinc/00/83/21/547008321.db2.gz JGEILLBWXWGCMW-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000180752347 547172788 /nfs/dbraw/zinc/17/27/88/547172788.db2.gz CAFAZHMENQRYRW-INIZCTEOSA-N 1 1 368.437 2.471 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000180903549 547207012 /nfs/dbraw/zinc/20/70/12/547207012.db2.gz BOPJTAKXAMFRBU-LLVKDONJSA-N 1 1 373.356 2.270 20 5 FEBDMO COC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000182409486 547488917 /nfs/dbraw/zinc/48/89/17/547488917.db2.gz SGLMPYUSAFRXKC-KRWDZBQOSA-N 1 1 364.423 2.346 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182627137 547524879 /nfs/dbraw/zinc/52/48/79/547524879.db2.gz OLDDHBSFZMTKCJ-JJTKIYQPSA-N 1 1 374.485 2.346 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCOCC4(CCOCC4)C3)n2)cc1 ZINC000184099389 547769419 /nfs/dbraw/zinc/76/94/19/547769419.db2.gz ZALOCTSKKJGZCI-UHFFFAOYSA-N 1 1 374.397 2.274 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCOCC4(CCOCC4)C3)n2)cc1 ZINC000184099389 547769424 /nfs/dbraw/zinc/76/94/24/547769424.db2.gz ZALOCTSKKJGZCI-UHFFFAOYSA-N 1 1 374.397 2.274 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000484880119 561307695 /nfs/dbraw/zinc/30/76/95/561307695.db2.gz WZKDAQLBIDVLSG-JYJNAYRXSA-N 1 1 352.431 2.472 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000184570409 547848057 /nfs/dbraw/zinc/84/80/57/547848057.db2.gz XFOXNBZCJOGMFC-HIFRSBDPSA-N 1 1 355.460 2.087 20 5 FEBDMO C[N@@H+]1CCC[C@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248746 561315708 /nfs/dbraw/zinc/31/57/08/561315708.db2.gz HQUGYORKNNLVMW-GOEBONIOSA-N 1 1 374.441 2.309 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248746 561315709 /nfs/dbraw/zinc/31/57/09/561315709.db2.gz HQUGYORKNNLVMW-GOEBONIOSA-N 1 1 374.441 2.309 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179089 547946490 /nfs/dbraw/zinc/94/64/90/547946490.db2.gz NWKWMNUCDBMINL-TZMCWYRMSA-N 1 1 353.394 2.064 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000185180453 547947809 /nfs/dbraw/zinc/94/78/09/547947809.db2.gz YIVKLQGCJJASKI-CJNGLKHVSA-N 1 1 354.410 2.427 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@@H+]2CCO[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000486008250 561335126 /nfs/dbraw/zinc/33/51/26/561335126.db2.gz PSNSORAUXLOZIY-CQSZACIVSA-N 1 1 351.403 2.294 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@H+]2CCO[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000486008250 561335127 /nfs/dbraw/zinc/33/51/27/561335127.db2.gz PSNSORAUXLOZIY-CQSZACIVSA-N 1 1 351.403 2.294 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000194770938 548529941 /nfs/dbraw/zinc/52/99/41/548529941.db2.gz WAZOCNYTFBTTAC-OKILXGFUSA-N 1 1 374.441 2.186 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000194770938 548529943 /nfs/dbraw/zinc/52/99/43/548529943.db2.gz WAZOCNYTFBTTAC-OKILXGFUSA-N 1 1 374.441 2.186 20 5 FEBDMO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865013 561358478 /nfs/dbraw/zinc/35/84/78/561358478.db2.gz HDHGCXZEAVMGQU-DGCLKSJQSA-N 1 1 364.402 2.294 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095711 561383409 /nfs/dbraw/zinc/38/34/09/561383409.db2.gz RSQVTSVLPJXBIN-SUMWQHHRSA-N 1 1 364.446 2.202 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC[C@H]21 ZINC000245808267 548996837 /nfs/dbraw/zinc/99/68/37/548996837.db2.gz QHOLFAHWTXMJHR-GOEBONIOSA-N 1 1 369.425 2.337 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000245925869 549021273 /nfs/dbraw/zinc/02/12/73/549021273.db2.gz XLSRYHBMBTXESK-JLSDUUJJSA-N 1 1 359.426 2.104 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000246130453 549058431 /nfs/dbraw/zinc/05/84/31/549058431.db2.gz JPPYPIXQADAPGZ-ZYHUDNBSSA-N 1 1 361.851 2.209 20 5 FEBDMO CCOC(=O)c1ccnc(N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000246198201 549075698 /nfs/dbraw/zinc/07/56/98/549075698.db2.gz NDFKZJGFDVVUBT-JSGCOSHPSA-N 1 1 350.419 2.333 20 5 FEBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246229178 549084306 /nfs/dbraw/zinc/08/43/06/549084306.db2.gz FPNARGLNIMPHRW-PBHICJAKSA-N 1 1 360.414 2.077 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246328514 549107339 /nfs/dbraw/zinc/10/73/39/549107339.db2.gz KZERZRSALOWNQK-AAEUAGOBSA-N 1 1 352.822 2.355 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000488702926 561394879 /nfs/dbraw/zinc/39/48/79/561394879.db2.gz OPRGFUYTQDMQOV-CYBMUJFWSA-N 1 1 359.430 2.156 20 5 FEBDMO CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246715535 549194233 /nfs/dbraw/zinc/19/42/33/549194233.db2.gz KZJCKZNTGMGTDI-SJLPKXTDSA-N 1 1 360.414 2.388 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246915565 549242240 /nfs/dbraw/zinc/24/22/40/549242240.db2.gz RSSSIKWNZHJXIY-MQIPJXDCSA-N 1 1 351.403 2.023 20 5 FEBDMO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1F ZINC000248490319 549450214 /nfs/dbraw/zinc/45/02/14/549450214.db2.gz IAKOCUKNMVNGLD-HIFRSBDPSA-N 1 1 367.421 2.191 20 5 FEBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249117582 549554514 /nfs/dbraw/zinc/55/45/14/549554514.db2.gz SPUGMEAAEIUZLW-KBPBESRZSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249117582 549554517 /nfs/dbraw/zinc/55/45/17/549554517.db2.gz SPUGMEAAEIUZLW-KBPBESRZSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000249259692 549573067 /nfs/dbraw/zinc/57/30/67/549573067.db2.gz YWMRNZBJVUMNFA-GJZGRUSLSA-N 1 1 369.487 2.177 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000249709100 549617174 /nfs/dbraw/zinc/61/71/74/549617174.db2.gz SJECJCAAXNQLJZ-VXGBXAGGSA-N 1 1 359.423 2.133 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249746541 549623515 /nfs/dbraw/zinc/62/35/15/549623515.db2.gz ZWETYWYQDNRVQH-DZGCQCFKSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249746541 549623518 /nfs/dbraw/zinc/62/35/18/549623518.db2.gz ZWETYWYQDNRVQH-DZGCQCFKSA-N 1 1 374.441 2.160 20 5 FEBDMO COc1ccc(C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C2CC2)cc1 ZINC000252480758 549668013 /nfs/dbraw/zinc/66/80/13/549668013.db2.gz FRALGKSEIYXKNM-RDTXWAMCSA-N 1 1 374.441 2.462 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000490425989 561432844 /nfs/dbraw/zinc/43/28/44/561432844.db2.gz NETGRRVEEMTBMT-CQSZACIVSA-N 1 1 367.471 2.231 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](CC)C2CC2)cc1OC ZINC000263721649 549925921 /nfs/dbraw/zinc/92/59/21/549925921.db2.gz LSKPNEUSZOCLMB-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c1[N+](=O)[O-] ZINC000264123718 549981859 /nfs/dbraw/zinc/98/18/59/549981859.db2.gz CWZQVIFQRZXZGO-UHFFFAOYSA-N 1 1 367.356 2.109 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000268293215 550045712 /nfs/dbraw/zinc/04/57/12/550045712.db2.gz ZTRUCXMKVBRAJH-SMDDNHRTSA-N 1 1 363.414 2.215 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1OC ZINC000268293213 550045857 /nfs/dbraw/zinc/04/58/57/550045857.db2.gz ZTRUCXMKVBRAJH-FZMZJTMJSA-N 1 1 363.414 2.215 20 5 FEBDMO CCC[N@@H+]1Cc2cccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)c2C1 ZINC000269732162 550221151 /nfs/dbraw/zinc/22/11/51/550221151.db2.gz SKZPWHVMDRDKAT-UHFFFAOYSA-N 1 1 356.382 2.121 20 5 FEBDMO CCC[N@H+]1Cc2cccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)c2C1 ZINC000269732162 550221152 /nfs/dbraw/zinc/22/11/52/550221152.db2.gz SKZPWHVMDRDKAT-UHFFFAOYSA-N 1 1 356.382 2.121 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270912048 550320351 /nfs/dbraw/zinc/32/03/51/550320351.db2.gz OAWWTVQVLSVLID-WFASDCNBSA-N 1 1 371.397 2.403 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270912048 550320354 /nfs/dbraw/zinc/32/03/54/550320354.db2.gz OAWWTVQVLSVLID-WFASDCNBSA-N 1 1 371.397 2.403 20 5 FEBDMO COc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271077598 550338328 /nfs/dbraw/zinc/33/83/28/550338328.db2.gz HOKXSOUJPLLCQH-MRXNPFEDSA-N 1 1 354.426 2.426 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000271162670 550347285 /nfs/dbraw/zinc/34/72/85/550347285.db2.gz QXHAFUAGQYGVML-UHFFFAOYSA-N 1 1 356.429 2.167 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328718 550438368 /nfs/dbraw/zinc/43/83/68/550438368.db2.gz LAHOKGBJXDGEJT-GXFFZTMASA-N 1 1 361.427 2.156 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc([N+](=O)[O-])c1 ZINC000272735896 550467933 /nfs/dbraw/zinc/46/79/33/550467933.db2.gz CGDXAIKQEHMPIC-LBPRGKRZSA-N 1 1 361.398 2.152 20 5 FEBDMO C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1=CC[N@@H+](C)CC1 ZINC000272760603 550469177 /nfs/dbraw/zinc/46/91/77/550469177.db2.gz FWYDGYGYVVCWSG-NSHDSACASA-N 1 1 356.382 2.229 20 5 FEBDMO C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cn[nH]c1 ZINC000494636698 561473020 /nfs/dbraw/zinc/47/30/20/561473020.db2.gz JFHZKHYMUUMQCN-QMMMGPOBSA-N 1 1 368.191 2.370 20 5 FEBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000273362423 550495547 /nfs/dbraw/zinc/49/55/47/550495547.db2.gz QTGZKXZEPQOZMG-IAGOWNOFSA-N 1 1 360.410 2.390 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000273962297 550517470 /nfs/dbraw/zinc/51/74/70/550517470.db2.gz OAFCJUNVKOYGKQ-UHFFFAOYSA-N 1 1 359.835 2.097 20 5 FEBDMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000274511412 550541333 /nfs/dbraw/zinc/54/13/33/550541333.db2.gz XOWOTPACIJDXCO-ZDUSSCGKSA-N 1 1 360.414 2.097 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000274549403 550543381 /nfs/dbraw/zinc/54/33/81/550543381.db2.gz XGXBUIPTIZHXDO-LBPRGKRZSA-N 1 1 351.403 2.215 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)CSc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277606737 550691113 /nfs/dbraw/zinc/69/11/13/550691113.db2.gz QDQMYXDOLKBJIR-CQSZACIVSA-N 1 1 367.471 2.304 20 5 FEBDMO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278045231 550742659 /nfs/dbraw/zinc/74/26/59/550742659.db2.gz LKOWUSIJLRLCJW-DZGCQCFKSA-N 1 1 370.409 2.336 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000495083534 561482176 /nfs/dbraw/zinc/48/21/76/561482176.db2.gz CRBNDPOIASKPBY-GFCCVEGCSA-N 1 1 353.444 2.109 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000495083534 561482177 /nfs/dbraw/zinc/48/21/77/561482177.db2.gz CRBNDPOIASKPBY-GFCCVEGCSA-N 1 1 353.444 2.109 20 5 FEBDMO CCN1CC[NH+](CCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278431627 550785188 /nfs/dbraw/zinc/78/51/88/550785188.db2.gz PRVDZYRXEBFALV-UHFFFAOYSA-N 1 1 361.368 2.448 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278555936 550798742 /nfs/dbraw/zinc/79/87/42/550798742.db2.gz AIVSCGNRNCDUMA-UHFFFAOYSA-N 1 1 371.401 2.208 20 5 FEBDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000278823326 550826019 /nfs/dbraw/zinc/82/60/19/550826019.db2.gz CMPYZMNZVLQXIX-HOTGVXAUSA-N 1 1 368.821 2.125 20 5 FEBDMO CCc1ccc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278901326 550833996 /nfs/dbraw/zinc/83/39/96/550833996.db2.gz RPTIDVFSCVEPSV-AWEZNQCLSA-N 1 1 361.442 2.483 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278920635 550836115 /nfs/dbraw/zinc/83/61/15/550836115.db2.gz RNZVIGCJOMMNGY-GDBMZVCRSA-N 1 1 367.471 2.464 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278920635 550836116 /nfs/dbraw/zinc/83/61/16/550836116.db2.gz RNZVIGCJOMMNGY-GDBMZVCRSA-N 1 1 367.471 2.464 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000279340902 550879541 /nfs/dbraw/zinc/87/95/41/550879541.db2.gz PQESDBANUJJEAW-SJKOYZFVSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(OC)C1 ZINC000279340902 550879542 /nfs/dbraw/zinc/87/95/42/550879542.db2.gz PQESDBANUJJEAW-SJKOYZFVSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@H]1C[C@H](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000495456387 561488297 /nfs/dbraw/zinc/48/82/97/561488297.db2.gz AJVSFHUEHLRWRW-ZFWWWQNUSA-N 1 1 357.414 2.348 20 5 FEBDMO C[C@H]1C[C@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000495456387 561488298 /nfs/dbraw/zinc/48/82/98/561488298.db2.gz AJVSFHUEHLRWRW-ZFWWWQNUSA-N 1 1 357.414 2.348 20 5 FEBDMO C[C@H]1C[C@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000495456387 561488299 /nfs/dbraw/zinc/48/82/99/561488299.db2.gz AJVSFHUEHLRWRW-ZFWWWQNUSA-N 1 1 357.414 2.348 20 5 FEBDMO CCOc1cc(N2CC[NH+](Cc3cn(C)nc3C)CC2)ccc1[N+](=O)[O-] ZINC000279871616 550938133 /nfs/dbraw/zinc/93/81/33/550938133.db2.gz UAASXZYIGQIGLT-UHFFFAOYSA-N 1 1 359.430 2.358 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000279978857 550948990 /nfs/dbraw/zinc/94/89/90/550948990.db2.gz ZHYXKIZLASXNHC-QWHCGFSZSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000279978857 550948991 /nfs/dbraw/zinc/94/89/91/550948991.db2.gz ZHYXKIZLASXNHC-QWHCGFSZSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000281077726 551061119 /nfs/dbraw/zinc/06/11/19/551061119.db2.gz BGHJLWGGIWRBDI-GFCCVEGCSA-N 1 1 359.423 2.147 20 5 FEBDMO CCOc1ccccc1C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000281655186 551126483 /nfs/dbraw/zinc/12/64/83/551126483.db2.gz NYYMILGAODMKHV-CQSZACIVSA-N 1 1 357.414 2.494 20 5 FEBDMO CCOc1ccccc1C[N@H+]1CCN(c2ncc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000281655186 551126484 /nfs/dbraw/zinc/12/64/84/551126484.db2.gz NYYMILGAODMKHV-CQSZACIVSA-N 1 1 357.414 2.494 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)O1 ZINC000282506744 551239060 /nfs/dbraw/zinc/23/90/60/551239060.db2.gz ROCLMOAQJKZRIH-IEAZIUSSSA-N 1 1 364.398 2.157 20 5 FEBDMO COc1ccccc1C[N@@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283432089 551365108 /nfs/dbraw/zinc/36/51/08/551365108.db2.gz XAJMZTQRTOMVMY-UHFFFAOYSA-N 1 1 373.409 2.427 20 5 FEBDMO O=C1C[C@@H]([NH+]2CCC3(CCOCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000283947181 551455208 /nfs/dbraw/zinc/45/52/08/551455208.db2.gz MJYRAOMMKGTVII-MRXNPFEDSA-N 1 1 373.409 2.119 20 5 FEBDMO CN1CCO[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000284417876 551544923 /nfs/dbraw/zinc/54/49/23/551544923.db2.gz RAFGWVVTKBZQCH-DZGCQCFKSA-N 1 1 357.357 2.101 20 5 FEBDMO CN1CCO[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]21 ZINC000284417876 551544927 /nfs/dbraw/zinc/54/49/27/551544927.db2.gz RAFGWVVTKBZQCH-DZGCQCFKSA-N 1 1 357.357 2.101 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000498465970 561524991 /nfs/dbraw/zinc/52/49/91/561524991.db2.gz PMTVQTSDMYQGEY-CQSZACIVSA-N 1 1 351.451 2.118 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C ZINC000498557994 561528514 /nfs/dbraw/zinc/52/85/14/561528514.db2.gz XNPZQASJBBJRIP-ZIAGYGMSSA-N 1 1 357.414 2.335 20 5 FEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000498709544 561532355 /nfs/dbraw/zinc/53/23/55/561532355.db2.gz KFTJMSKHMOZDGV-HNNXBMFYSA-N 1 1 360.458 2.364 20 5 FEBDMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285176805 551715940 /nfs/dbraw/zinc/71/59/40/551715940.db2.gz BLDJFIILWUKOJM-LBPRGKRZSA-N 1 1 350.419 2.082 20 5 FEBDMO C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285176805 551715942 /nfs/dbraw/zinc/71/59/42/551715942.db2.gz BLDJFIILWUKOJM-LBPRGKRZSA-N 1 1 350.419 2.082 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285238744 551724807 /nfs/dbraw/zinc/72/48/07/551724807.db2.gz BMYVSBCQXLNFCU-DZGCQCFKSA-N 1 1 355.460 2.320 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000285238744 551724808 /nfs/dbraw/zinc/72/48/08/551724808.db2.gz BMYVSBCQXLNFCU-DZGCQCFKSA-N 1 1 355.460 2.320 20 5 FEBDMO CCOC1CC2(C1)CC[N@@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000285263651 551728449 /nfs/dbraw/zinc/72/84/49/551728449.db2.gz VKSWMYDAMNPYNT-KOHRHEQBSA-N 1 1 373.409 2.118 20 5 FEBDMO CCOC1CC2(C1)CC[N@H+]([C@@H]1CC(=O)N(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000285263651 551728450 /nfs/dbraw/zinc/72/84/50/551728450.db2.gz VKSWMYDAMNPYNT-KOHRHEQBSA-N 1 1 373.409 2.118 20 5 FEBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285888045 551823604 /nfs/dbraw/zinc/82/36/04/551823604.db2.gz JVSLXEFWAMOBBU-YQQAZPJKSA-N 1 1 352.431 2.350 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287375624 551996151 /nfs/dbraw/zinc/99/61/51/551996151.db2.gz ZUCRTKJQZXSZFH-MZBDJJRSSA-N 1 1 362.430 2.370 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000287752619 552042193 /nfs/dbraw/zinc/04/21/93/552042193.db2.gz TWFGQWZYWSIEOT-KKUMJFAQSA-N 1 1 364.446 2.061 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289590102 552345786 /nfs/dbraw/zinc/34/57/86/552345786.db2.gz PPMWYDWUPSZWRW-OLMNPRSZSA-N 1 1 362.426 2.368 20 5 FEBDMO COc1ccc2c(c1)C1(CC1)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000289638708 552354015 /nfs/dbraw/zinc/35/40/15/552354015.db2.gz SJATUCSEKHWREQ-UHFFFAOYSA-N 1 1 355.394 2.313 20 5 FEBDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000289638708 552354017 /nfs/dbraw/zinc/35/40/17/552354017.db2.gz SJATUCSEKHWREQ-UHFFFAOYSA-N 1 1 355.394 2.313 20 5 FEBDMO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000290575517 552500940 /nfs/dbraw/zinc/50/09/40/552500940.db2.gz UXUJSOIJXIBSQB-JTQLQIEISA-N 1 1 361.427 2.009 20 5 FEBDMO C[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000290575517 552500942 /nfs/dbraw/zinc/50/09/42/552500942.db2.gz UXUJSOIJXIBSQB-JTQLQIEISA-N 1 1 361.427 2.009 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000291232690 552603729 /nfs/dbraw/zinc/60/37/29/552603729.db2.gz ITTFUMLGCAEUHE-OCCSQVGLSA-N 1 1 362.430 2.037 20 5 FEBDMO Cc1cc(CNC(=O)c2c(N)cccc2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000291907743 552673715 /nfs/dbraw/zinc/67/37/15/552673715.db2.gz LSTODNBMCXWJQY-UHFFFAOYSA-N 1 1 355.398 2.411 20 5 FEBDMO C[N@@H+]1CC[C@@]2(CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239971 552707603 /nfs/dbraw/zinc/70/76/03/552707603.db2.gz WQNRBHPHZGQVHR-QGZVFWFLSA-N 1 1 350.394 2.090 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239971 552707604 /nfs/dbraw/zinc/70/76/04/552707604.db2.gz WQNRBHPHZGQVHR-QGZVFWFLSA-N 1 1 350.394 2.090 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000501607217 561601875 /nfs/dbraw/zinc/60/18/75/561601875.db2.gz NSGPOQWJUQGUOQ-UHFFFAOYSA-N 1 1 358.402 2.010 20 5 FEBDMO O=C1NCCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1Cc1ccccc1 ZINC000292855407 552765202 /nfs/dbraw/zinc/76/52/02/552765202.db2.gz CCBYJWMOEWNXBF-RTBURBONSA-N 1 1 369.421 2.061 20 5 FEBDMO O=C1NCCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1Cc1ccccc1 ZINC000292855407 552765205 /nfs/dbraw/zinc/76/52/05/552765205.db2.gz CCBYJWMOEWNXBF-RTBURBONSA-N 1 1 369.421 2.061 20 5 FEBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292909833 552770384 /nfs/dbraw/zinc/77/03/84/552770384.db2.gz NLUHXDWLSBSUPI-UHFFFAOYSA-N 1 1 362.213 2.354 20 5 FEBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292909833 552770386 /nfs/dbraw/zinc/77/03/86/552770386.db2.gz NLUHXDWLSBSUPI-UHFFFAOYSA-N 1 1 362.213 2.354 20 5 FEBDMO CC(C)[C@@]1(CO)CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000293162446 552795008 /nfs/dbraw/zinc/79/50/08/552795008.db2.gz UYEWGBAHZIGBHM-WMZOPIPTSA-N 1 1 352.431 2.065 20 5 FEBDMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000293445260 552824625 /nfs/dbraw/zinc/82/46/25/552824625.db2.gz VLOUMJZAWJEOTI-UHFFFAOYSA-N 1 1 372.381 2.082 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)n1C ZINC000294780862 552933683 /nfs/dbraw/zinc/93/36/83/552933683.db2.gz NUJMHURXZIAOIO-UHFFFAOYSA-N 1 1 371.319 2.343 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295619737 553035109 /nfs/dbraw/zinc/03/51/09/553035109.db2.gz WFFXHPVWIKVRMD-ZDUSSCGKSA-N 1 1 355.822 2.215 20 5 FEBDMO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000295749862 553053850 /nfs/dbraw/zinc/05/38/50/553053850.db2.gz ZPKXGPBMZPFGIV-JSGCOSHPSA-N 1 1 353.444 2.061 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](CO)c1ccc(Cl)cc1 ZINC000296219447 553124753 /nfs/dbraw/zinc/12/47/53/553124753.db2.gz KCBXNBYIHFMDNY-OAHLLOKOSA-N 1 1 351.790 2.075 20 5 FEBDMO CC(C)(CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[N+](=O)[O-] ZINC000296897664 553226667 /nfs/dbraw/zinc/22/66/67/553226667.db2.gz VRPMJSTXZVATNA-QGZVFWFLSA-N 1 1 363.458 2.229 20 5 FEBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)cn2cc[nH+]c12 ZINC000503008559 561632192 /nfs/dbraw/zinc/63/21/92/561632192.db2.gz LHKUCCGTQJPEFV-UHFFFAOYSA-N 1 1 374.378 2.207 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1CCO ZINC000297713338 553328834 /nfs/dbraw/zinc/32/88/34/553328834.db2.gz BCEUORVESMXINY-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803012 553340768 /nfs/dbraw/zinc/34/07/68/553340768.db2.gz IAQUJGHAMXMJHF-GXTWGEPZSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000298876940 553483814 /nfs/dbraw/zinc/48/38/14/553483814.db2.gz QATYTLNOOIDZPG-QLFBSQMISA-N 1 1 364.446 2.454 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000299315491 553546735 /nfs/dbraw/zinc/54/67/35/553546735.db2.gz PALYQMJOYORJQX-GOOCMWNKSA-N 1 1 374.441 2.282 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301259090 553636685 /nfs/dbraw/zinc/63/66/85/553636685.db2.gz UPHYUHRJRWKIRN-ZDUSSCGKSA-N 1 1 357.414 2.313 20 5 FEBDMO CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000301345028 553644052 /nfs/dbraw/zinc/64/40/52/553644052.db2.gz JYGFLEHIDXDEEX-CQSZACIVSA-N 1 1 357.414 2.090 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c(Br)c1 ZINC000301847970 553685040 /nfs/dbraw/zinc/68/50/40/553685040.db2.gz CENIOLGHDBPABY-CMPLNLGQSA-N 1 1 371.235 2.418 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c(Br)c1 ZINC000301847970 553685043 /nfs/dbraw/zinc/68/50/43/553685043.db2.gz CENIOLGHDBPABY-CMPLNLGQSA-N 1 1 371.235 2.418 20 5 FEBDMO COC(=O)c1cnc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000302777464 553732059 /nfs/dbraw/zinc/73/20/59/553732059.db2.gz PMKZJIZWTSQCBU-UHFFFAOYSA-N 1 1 362.411 2.308 20 5 FEBDMO COC(=O)c1cnc(NCC[N@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000302777464 553732060 /nfs/dbraw/zinc/73/20/60/553732060.db2.gz PMKZJIZWTSQCBU-UHFFFAOYSA-N 1 1 362.411 2.308 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+](Cc2ccccc2)C1 ZINC000324065945 553770803 /nfs/dbraw/zinc/77/08/03/553770803.db2.gz XCNZAUHHUSHTMZ-CQSZACIVSA-N 1 1 369.425 2.166 20 5 FEBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@H+]1C ZINC000330583498 554141728 /nfs/dbraw/zinc/14/17/28/554141728.db2.gz KLUMPXPBFBEXDB-MNOVXSKESA-N 1 1 370.247 2.451 20 5 FEBDMO C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCO1 ZINC000330714813 554161944 /nfs/dbraw/zinc/16/19/44/554161944.db2.gz SGMAIPHACJXZMO-QWHCGFSZSA-N 1 1 353.444 2.229 20 5 FEBDMO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000508344543 561759643 /nfs/dbraw/zinc/75/96/43/561759643.db2.gz RHHLESJHIAMAIY-STQMWFEESA-N 1 1 363.414 2.232 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000332197843 554399513 /nfs/dbraw/zinc/39/95/13/554399513.db2.gz DZHVPOUFNNPTIW-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000332426676 554444230 /nfs/dbraw/zinc/44/42/30/554444230.db2.gz CJHNXWSXYXKSFN-UHFFFAOYSA-N 1 1 364.427 2.434 20 5 FEBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cc4c(c([N+](=O)[O-])c3)OCO4)n1)OC2 ZINC000350342984 554781150 /nfs/dbraw/zinc/78/11/50/554781150.db2.gz UTBXFMXOQBBTNG-SUMWQHHRSA-N 1 1 374.353 2.299 20 5 FEBDMO O=[N+]([O-])c1cnc(NCCCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000612778926 554839541 /nfs/dbraw/zinc/83/95/41/554839541.db2.gz GVDNFVBRBJLJQI-UHFFFAOYSA-N 1 1 370.457 2.395 20 5 FEBDMO COc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000360408740 554873962 /nfs/dbraw/zinc/87/39/62/554873962.db2.gz YTJHHENMADNXIP-FUHWJXTLSA-N 1 1 374.441 2.116 20 5 FEBDMO COc1ccc(C[C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000362069104 554948118 /nfs/dbraw/zinc/94/81/18/554948118.db2.gz UNDFXRAGZJEWRA-MRXNPFEDSA-N 1 1 357.410 2.472 20 5 FEBDMO CC1(CN2CCOCC2)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362305374 554961823 /nfs/dbraw/zinc/96/18/23/554961823.db2.gz KTMNGJJOZFJWCR-SFHVURJKSA-N 1 1 363.458 2.063 20 5 FEBDMO O=C(c1ccco1)N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000363380826 555090566 /nfs/dbraw/zinc/09/05/66/555090566.db2.gz SGQCEVDEXBMXJG-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO O=C(c1ccco1)N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000363380826 555090567 /nfs/dbraw/zinc/09/05/67/555090567.db2.gz SGQCEVDEXBMXJG-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO Cc1cnn(C2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)c1 ZINC000363667859 555159798 /nfs/dbraw/zinc/15/97/98/555159798.db2.gz ZLXDYQVJDAMFKQ-UHFFFAOYSA-N 1 1 369.425 2.326 20 5 FEBDMO [NH3+][C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1c1ccc(F)cc1 ZINC000363745793 555177539 /nfs/dbraw/zinc/17/75/39/555177539.db2.gz PVUASLGEKNXKJV-GJZGRUSLSA-N 1 1 369.356 2.177 20 5 FEBDMO C[C@@H](C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000363796321 555188208 /nfs/dbraw/zinc/18/82/08/555188208.db2.gz BDLKHRROBQJPKO-TZMCWYRMSA-N 1 1 367.446 2.487 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000512135220 561893533 /nfs/dbraw/zinc/89/35/33/561893533.db2.gz GYJZREKOWVWQLR-OLZOCXBDSA-N 1 1 367.471 2.498 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000512135220 561893534 /nfs/dbraw/zinc/89/35/34/561893534.db2.gz GYJZREKOWVWQLR-OLZOCXBDSA-N 1 1 367.471 2.498 20 5 FEBDMO COC(=O)c1cnc(N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000364504075 555325500 /nfs/dbraw/zinc/32/55/00/555325500.db2.gz FOHQOLNZSVXGKH-INIZCTEOSA-N 1 1 370.409 2.487 20 5 FEBDMO CNC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])c1 ZINC000364664151 555367100 /nfs/dbraw/zinc/36/71/00/555367100.db2.gz PGOKKXNVUWORQS-YJBOKZPZSA-N 1 1 369.425 2.454 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000364743348 555391766 /nfs/dbraw/zinc/39/17/66/555391766.db2.gz QBJYTMYGULOYLJ-DLBZAZTESA-N 1 1 360.414 2.086 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000365340197 555548686 /nfs/dbraw/zinc/54/86/86/555548686.db2.gz NRWBVGDRAPOGAG-CQSZACIVSA-N 1 1 366.849 2.100 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3sc(Br)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000365510765 555595043 /nfs/dbraw/zinc/59/50/43/555595043.db2.gz TWQNKQSOCBCCSF-OCAPTIKFSA-N 1 1 360.233 2.052 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513419577 561937554 /nfs/dbraw/zinc/93/75/54/561937554.db2.gz IPCKIWKSKLZIIU-UKRRQHHQSA-N 1 1 357.414 2.443 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000366565354 555877175 /nfs/dbraw/zinc/87/71/75/555877175.db2.gz UQEFCFNDZHIOTA-HIFRSBDPSA-N 1 1 365.434 2.123 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368055231 556206028 /nfs/dbraw/zinc/20/60/28/556206028.db2.gz HMMVUUYBVWHGRF-SFHVURJKSA-N 1 1 365.430 2.272 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000368389381 556294583 /nfs/dbraw/zinc/29/45/83/556294583.db2.gz WHFXOSNCIFPUPG-CQSZACIVSA-N 1 1 352.822 2.167 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCOc2ccccc2[N+](=O)[O-])O1 ZINC000368480062 556322288 /nfs/dbraw/zinc/32/22/88/556322288.db2.gz YXPWQFYWQLWURC-YVVXQTMVSA-N 1 1 364.398 2.157 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCOc2ccccc2[N+](=O)[O-])O1 ZINC000368480062 556322289 /nfs/dbraw/zinc/32/22/89/556322289.db2.gz YXPWQFYWQLWURC-YVVXQTMVSA-N 1 1 364.398 2.157 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662681 556377868 /nfs/dbraw/zinc/37/78/68/556377868.db2.gz JZSYPRCXTNZOPP-ROUUACIJSA-N 1 1 374.441 2.399 20 5 FEBDMO CC[C@@H]1CCCC[N@@H+]1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467795 562011603 /nfs/dbraw/zinc/01/16/03/562011603.db2.gz OXGDXPYGAJGNAZ-CVEARBPZSA-N 1 1 351.447 2.189 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467795 562011604 /nfs/dbraw/zinc/01/16/04/562011604.db2.gz OXGDXPYGAJGNAZ-CVEARBPZSA-N 1 1 351.447 2.189 20 5 FEBDMO Cc1nc(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000368947625 556456521 /nfs/dbraw/zinc/45/65/21/556456521.db2.gz YDUZKOGJHGGOAL-UHFFFAOYSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1nnc(C2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000368947625 556456522 /nfs/dbraw/zinc/45/65/22/556456522.db2.gz YDUZKOGJHGGOAL-UHFFFAOYSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1c(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cccc1[N+](=O)[O-] ZINC000515704462 562019777 /nfs/dbraw/zinc/01/97/77/562019777.db2.gz ZUNJMCVFBJIPMF-AWEZNQCLSA-N 1 1 367.471 2.197 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H](O)COCc3cccs3)C2)c1 ZINC000369020331 556478598 /nfs/dbraw/zinc/47/85/98/556478598.db2.gz WQRMFNICTULHIP-UKRRQHHQSA-N 1 1 366.443 2.067 20 5 FEBDMO O=C1C[C@@H]([N@@H+]2CC[C@H](c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000369181443 556527955 /nfs/dbraw/zinc/52/79/55/556527955.db2.gz YOVSDOWXMZESHC-SWLSCSKDSA-N 1 1 355.350 2.309 20 5 FEBDMO O=C1C[C@@H]([N@H+]2CC[C@H](c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000369181443 556527958 /nfs/dbraw/zinc/52/79/58/556527958.db2.gz YOVSDOWXMZESHC-SWLSCSKDSA-N 1 1 355.350 2.309 20 5 FEBDMO Cc1cccc(C(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000369310988 556571041 /nfs/dbraw/zinc/57/10/41/556571041.db2.gz SZJIWAUYGYTTDQ-MRXNPFEDSA-N 1 1 360.458 2.003 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000369380762 556585435 /nfs/dbraw/zinc/58/54/35/556585435.db2.gz XTZYADQTYBEDNA-SJCJKPOMSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000369380762 556585436 /nfs/dbraw/zinc/58/54/36/556585436.db2.gz XTZYADQTYBEDNA-SJCJKPOMSA-N 1 1 351.403 2.167 20 5 FEBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@H]1c1cccs1 ZINC000369560297 556631284 /nfs/dbraw/zinc/63/12/84/556631284.db2.gz GBIQADBWCOEUKB-HZMBPMFUSA-N 1 1 361.427 2.255 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000516354952 562040669 /nfs/dbraw/zinc/04/06/69/562040669.db2.gz CONQRLNZDGTYDX-SWLSCSKDSA-N 1 1 351.451 2.129 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963294 556743270 /nfs/dbraw/zinc/74/32/70/556743270.db2.gz QGIRYRHXGJEYLU-ZWQIFLOQSA-N 1 1 363.458 2.107 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370005493 556755812 /nfs/dbraw/zinc/75/58/12/556755812.db2.gz GBNLJIIZIGUVQC-KGLIPLIRSA-N 1 1 357.414 2.220 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370013528 556757878 /nfs/dbraw/zinc/75/78/78/556757878.db2.gz WXAGRAZIQSYLIH-KBPBESRZSA-N 1 1 357.414 2.220 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370013528 556757881 /nfs/dbraw/zinc/75/78/81/556757881.db2.gz WXAGRAZIQSYLIH-KBPBESRZSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000370406534 556863032 /nfs/dbraw/zinc/86/30/32/556863032.db2.gz NIHLMGWNFPYJDY-LJQANCHMSA-N 1 1 374.441 2.176 20 5 FEBDMO Cc1c(CC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370814160 556976335 /nfs/dbraw/zinc/97/63/35/556976335.db2.gz HZKNCZJEFCAZBX-GOSISDBHSA-N 1 1 374.485 2.073 20 5 FEBDMO Cc1c(CC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370814160 556976339 /nfs/dbraw/zinc/97/63/39/556976339.db2.gz HZKNCZJEFCAZBX-GOSISDBHSA-N 1 1 374.485 2.073 20 5 FEBDMO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370830450 556982798 /nfs/dbraw/zinc/98/27/98/556982798.db2.gz NHJDQUVLAPJWQJ-MTCRFPMVSA-N 1 1 372.469 2.235 20 5 FEBDMO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370830450 556982800 /nfs/dbraw/zinc/98/28/00/556982800.db2.gz NHJDQUVLAPJWQJ-MTCRFPMVSA-N 1 1 372.469 2.235 20 5 FEBDMO Cn1cc([C@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])cc3)CCC[N@H+]2C)cn1 ZINC000370926496 557019120 /nfs/dbraw/zinc/01/91/20/557019120.db2.gz BKJOOSWYBJOUCE-WMLDXEAASA-N 1 1 357.414 2.141 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000371066050 557064471 /nfs/dbraw/zinc/06/44/71/557064471.db2.gz YTWCLVHRNCDDQS-WBVHZDCISA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000371066050 557064476 /nfs/dbraw/zinc/06/44/76/557064476.db2.gz YTWCLVHRNCDDQS-WBVHZDCISA-N 1 1 358.373 2.491 20 5 FEBDMO Cc1[nH]nc(C(=O)Nc2ccccc2C[NH+]2CCSCC2)c1[N+](=O)[O-] ZINC000517811270 562098587 /nfs/dbraw/zinc/09/85/87/562098587.db2.gz ATHKRAKZJDHTNL-UHFFFAOYSA-N 1 1 361.427 2.427 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc2c1OCO2 ZINC000372274678 557427402 /nfs/dbraw/zinc/42/74/02/557427402.db2.gz RQZRMQNHNIFSPJ-ZDUSSCGKSA-N 1 1 360.370 2.366 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc2c1OCO2 ZINC000372274678 557427406 /nfs/dbraw/zinc/42/74/06/557427406.db2.gz RQZRMQNHNIFSPJ-ZDUSSCGKSA-N 1 1 360.370 2.366 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N(C1CC1)C1CCCC1 ZINC000372274676 557427503 /nfs/dbraw/zinc/42/75/03/557427503.db2.gz RQPVNGNYQRYKTH-MRXNPFEDSA-N 1 1 361.446 2.362 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N(C1CC1)C1CCCC1 ZINC000372274676 557427506 /nfs/dbraw/zinc/42/75/06/557427506.db2.gz RQPVNGNYQRYKTH-MRXNPFEDSA-N 1 1 361.446 2.362 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000372558144 557504579 /nfs/dbraw/zinc/50/45/79/557504579.db2.gz RINQHSXJNNTAEV-LIRRHRJNSA-N 1 1 374.441 2.175 20 5 FEBDMO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372607330 557519242 /nfs/dbraw/zinc/51/92/42/557519242.db2.gz UJQOVQTVXODDCR-HNNXBMFYSA-N 1 1 363.418 2.108 20 5 FEBDMO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372607330 557519244 /nfs/dbraw/zinc/51/92/44/557519244.db2.gz UJQOVQTVXODDCR-HNNXBMFYSA-N 1 1 363.418 2.108 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000372613626 557521061 /nfs/dbraw/zinc/52/10/61/557521061.db2.gz RSLFSCOPNOHYKA-QGZVFWFLSA-N 1 1 360.389 2.375 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000373253210 557659024 /nfs/dbraw/zinc/65/90/24/557659024.db2.gz SLXIEYFWLOFKPP-RWMBFGLXSA-N 1 1 365.434 2.063 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000373253210 557659026 /nfs/dbraw/zinc/65/90/26/557659026.db2.gz SLXIEYFWLOFKPP-RWMBFGLXSA-N 1 1 365.434 2.063 20 5 FEBDMO COc1cc(OCC(=O)Nc2c[nH+]ccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000520315915 562153371 /nfs/dbraw/zinc/15/33/71/562153371.db2.gz ROUAREQMSDJSRC-UHFFFAOYSA-N 1 1 369.337 2.202 20 5 FEBDMO CCOc1ccc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000373583504 557722647 /nfs/dbraw/zinc/72/26/47/557722647.db2.gz ZUNVPOKIRYYQEW-UHFFFAOYSA-N 1 1 373.413 2.126 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000374372901 557873685 /nfs/dbraw/zinc/87/36/85/557873685.db2.gz GBRZZHKPRHRRAY-VXGBXAGGSA-N 1 1 352.366 2.027 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000374666468 557914323 /nfs/dbraw/zinc/91/43/23/557914323.db2.gz UYCFUKQYKQVURF-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](OC)CC1 ZINC000374666468 557914325 /nfs/dbraw/zinc/91/43/25/557914325.db2.gz UYCFUKQYKQVURF-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@@]1(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)NC(=O)NC1=O ZINC000374709156 557919739 /nfs/dbraw/zinc/91/97/39/557919739.db2.gz GIOYHPUIJPTZGA-INIZCTEOSA-N 1 1 366.805 2.058 20 5 FEBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)sc2C1 ZINC000374773213 557929085 /nfs/dbraw/zinc/92/90/85/557929085.db2.gz DRWBUOMKGPUTEQ-UHFFFAOYSA-N 1 1 365.390 2.403 20 5 FEBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)sc2C1 ZINC000374773213 557929086 /nfs/dbraw/zinc/92/90/86/557929086.db2.gz DRWBUOMKGPUTEQ-UHFFFAOYSA-N 1 1 365.390 2.403 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374871253 557944269 /nfs/dbraw/zinc/94/42/69/557944269.db2.gz CPUKKCLBBMETKG-KDOFPFPSSA-N 1 1 360.458 2.378 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000374871253 557944270 /nfs/dbraw/zinc/94/42/70/557944270.db2.gz CPUKKCLBBMETKG-KDOFPFPSSA-N 1 1 360.458 2.378 20 5 FEBDMO C[C@H]([C@H]1CN(Cc2ccccc2)CCO1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883178 557945888 /nfs/dbraw/zinc/94/58/88/557945888.db2.gz RLPBFJVDSGYPBP-VQIMIIECSA-N 1 1 373.457 2.013 20 5 FEBDMO COc1cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)c([N+](=O)[O-])cc1F ZINC000375121694 557980777 /nfs/dbraw/zinc/98/07/77/557980777.db2.gz UGDNKJIQEGSXOF-CABCVRRESA-N 1 1 367.421 2.164 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H](O)c3c(F)cccc3F)C2)c1 ZINC000375406157 558021900 /nfs/dbraw/zinc/02/19/00/558021900.db2.gz UGHRZDPCKBLAJT-NHYWBVRUSA-N 1 1 352.341 2.440 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H](O)c3c(F)cccc3F)C2)c1 ZINC000375406157 558021902 /nfs/dbraw/zinc/02/19/02/558021902.db2.gz UGHRZDPCKBLAJT-NHYWBVRUSA-N 1 1 352.341 2.440 20 5 FEBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375727923 558073788 /nfs/dbraw/zinc/07/37/88/558073788.db2.gz VWCCPRWCEUCWIM-QGZVFWFLSA-N 1 1 365.434 2.267 20 5 FEBDMO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000375968308 558107223 /nfs/dbraw/zinc/10/72/23/558107223.db2.gz LKOQMEIWHHDCKW-AWEZNQCLSA-N 1 1 357.414 2.399 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000521620311 562180432 /nfs/dbraw/zinc/18/04/32/562180432.db2.gz FYMBKNGRZMCUTL-KYJSFNMBSA-N 1 1 350.415 2.226 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128767 558130517 /nfs/dbraw/zinc/13/05/17/558130517.db2.gz HBZAUJDCEWQPKJ-KBXCAEBGSA-N 1 1 366.414 2.252 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128767 558130518 /nfs/dbraw/zinc/13/05/18/558130518.db2.gz HBZAUJDCEWQPKJ-KBXCAEBGSA-N 1 1 366.414 2.252 20 5 FEBDMO Cc1cc(C)nc(C2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000377000672 558250267 /nfs/dbraw/zinc/25/02/67/558250267.db2.gz LYHXCNSGZKRDAD-UHFFFAOYSA-N 1 1 369.425 2.480 20 5 FEBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3cccc([N+](=O)[O-])c3)CC1)C2 ZINC000377771932 558416445 /nfs/dbraw/zinc/41/64/45/558416445.db2.gz RGMVWZNRMZBAQU-OAHLLOKOSA-N 1 1 369.425 2.011 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862800 558437285 /nfs/dbraw/zinc/43/72/85/558437285.db2.gz ZEDZJFPIJLSEGV-WDEREUQCSA-N 1 1 354.794 2.233 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000377985219 558457806 /nfs/dbraw/zinc/45/78/06/558457806.db2.gz CWRGKHMRWUGJKE-CYBMUJFWSA-N 1 1 363.414 2.363 20 5 FEBDMO Cc1[nH+]c(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)c2n1CCCC2 ZINC000378304267 558524430 /nfs/dbraw/zinc/52/44/30/558524430.db2.gz ITMLUYWUOMURBY-UHFFFAOYSA-N 1 1 362.361 2.270 20 5 FEBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408086232 558644747 /nfs/dbraw/zinc/64/47/47/558644747.db2.gz HJFFDAILOFVIIG-GJZGRUSLSA-N 1 1 360.458 2.362 20 5 FEBDMO Cc1ccc(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524394804 562227929 /nfs/dbraw/zinc/22/79/29/562227929.db2.gz MWTSBSOUFJOPMI-IBGZPJMESA-N 1 1 355.394 2.479 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000411306237 558873070 /nfs/dbraw/zinc/87/30/70/558873070.db2.gz YRLIWNNMPFJEFA-DZGCQCFKSA-N 1 1 362.430 2.173 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411322894 558876754 /nfs/dbraw/zinc/87/67/54/558876754.db2.gz WRDBKBXSSDXHFD-UHFFFAOYSA-N 1 1 373.413 2.204 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000411401366 558888134 /nfs/dbraw/zinc/88/81/34/558888134.db2.gz XHYDFKMEGQXKRA-MLGOLLRUSA-N 1 1 351.403 2.025 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000411424715 558892676 /nfs/dbraw/zinc/89/26/76/558892676.db2.gz LLTMVTUZTDKJTL-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000411424715 558892679 /nfs/dbraw/zinc/89/26/79/558892679.db2.gz LLTMVTUZTDKJTL-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000411424715 558892682 /nfs/dbraw/zinc/89/26/82/558892682.db2.gz LLTMVTUZTDKJTL-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1F ZINC000411473576 558901122 /nfs/dbraw/zinc/90/11/22/558901122.db2.gz OZRKWIGPIJBIEU-RYUDHWBXSA-N 1 1 351.378 2.028 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000411480930 558902347 /nfs/dbraw/zinc/90/23/47/558902347.db2.gz YUKHSEOMGSMJAR-ZOCIIQOWSA-N 1 1 373.453 2.410 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c1F ZINC000411544911 558914226 /nfs/dbraw/zinc/91/42/26/558914226.db2.gz VQNYTIWOWPWZHZ-LLVKDONJSA-N 1 1 364.377 2.242 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411849055 558975865 /nfs/dbraw/zinc/97/58/65/558975865.db2.gz NZNFJTNTZZOXHY-KRWDZBQOSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411974386 558997849 /nfs/dbraw/zinc/99/78/49/558997849.db2.gz UARUKEFOFDHJEA-LJQANCHMSA-N 1 1 355.394 2.232 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412067651 559009139 /nfs/dbraw/zinc/00/91/39/559009139.db2.gz DWGYNTNCCLMNKV-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1F ZINC000412121379 559015531 /nfs/dbraw/zinc/01/55/31/559015531.db2.gz FIOKNKOXXLNAJU-NWDGAFQWSA-N 1 1 353.394 2.226 20 5 FEBDMO CN(CCC[NH+]1CCN(C)CC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413150891 559083408 /nfs/dbraw/zinc/08/34/08/559083408.db2.gz XTNNOBJCYXYVID-UHFFFAOYSA-N 1 1 361.368 2.082 20 5 FEBDMO COc1cc(NCC2([NH+]3CCOCC3)CCOCC2)c([N+](=O)[O-])cc1F ZINC000413397627 559104838 /nfs/dbraw/zinc/10/48/38/559104838.db2.gz GXMRFNYHYSTUKS-UHFFFAOYSA-N 1 1 369.393 2.036 20 5 FEBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000413971091 559144093 /nfs/dbraw/zinc/14/40/93/559144093.db2.gz AVLVJIUQDARUBP-NVXWUHKLSA-N 1 1 373.409 2.455 20 5 FEBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199034 559152822 /nfs/dbraw/zinc/15/28/22/559152822.db2.gz YSKAOPJZVPXHPV-AEFFLSMTSA-N 1 1 364.442 2.472 20 5 FEBDMO C[NH2+]Cc1noc(-c2cc([N+](=O)[O-])cc(I)c2C)n1 ZINC000414650440 559177226 /nfs/dbraw/zinc/17/72/26/559177226.db2.gz YGXUZNYOTQSOCM-UHFFFAOYSA-N 1 1 374.138 2.277 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409008 559310838 /nfs/dbraw/zinc/31/08/38/559310838.db2.gz TVJMLSKDQGJGHW-KGLIPLIRSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1C ZINC000416503045 559318343 /nfs/dbraw/zinc/31/83/43/559318343.db2.gz UDVQDCDOYZALIH-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO C[C@H](NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000417142648 559349754 /nfs/dbraw/zinc/34/97/54/559349754.db2.gz STKIZVXJANPBSX-GUYCJALGSA-N 1 1 355.398 2.407 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419338385 559438055 /nfs/dbraw/zinc/43/80/55/559438055.db2.gz ZGADHTVWLWGWHH-CABCVRRESA-N 1 1 351.447 2.269 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000419505457 559445541 /nfs/dbraw/zinc/44/55/41/559445541.db2.gz VSAZXWXPFLNZPM-KKUMJFAQSA-N 1 1 364.446 2.061 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420310733 559479676 /nfs/dbraw/zinc/47/96/76/559479676.db2.gz GDYWVJJZVJXZIB-NNQSOWQGSA-N 1 1 362.430 2.147 20 5 FEBDMO C[C@H](CCC[NH3+])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420433247 559487160 /nfs/dbraw/zinc/48/71/60/559487160.db2.gz CJLMSYFSKFSHBL-SSDOTTSWSA-N 1 1 356.231 2.307 20 5 FEBDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000420458577 559488586 /nfs/dbraw/zinc/48/85/86/559488586.db2.gz KKKKOLOEHOWHRX-UHFFFAOYSA-N 1 1 365.386 2.341 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421019886 559519968 /nfs/dbraw/zinc/51/99/68/559519968.db2.gz QGYWGTRLKVTADA-CQSZACIVSA-N 1 1 365.430 2.417 20 5 FEBDMO CCCN1C[C@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421355809 559540024 /nfs/dbraw/zinc/54/00/24/559540024.db2.gz VHCCIPSWKYCEEH-KSSFIOAISA-N 1 1 371.441 2.266 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1OC ZINC000421707181 559550277 /nfs/dbraw/zinc/55/02/77/559550277.db2.gz WSOAGVKXUDZUOC-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000421921665 559556825 /nfs/dbraw/zinc/55/68/25/559556825.db2.gz ZKTWGNDJZKYMJA-UHFFFAOYSA-N 1 1 350.463 2.167 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000421921665 559556826 /nfs/dbraw/zinc/55/68/26/559556826.db2.gz ZKTWGNDJZKYMJA-UHFFFAOYSA-N 1 1 350.463 2.167 20 5 FEBDMO O=[N+]([O-])c1cc(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(C(F)(F)F)c1 ZINC000423081615 559618035 /nfs/dbraw/zinc/61/80/35/559618035.db2.gz DJMZHQFRFMHSML-CABCVRRESA-N 1 1 359.348 2.470 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423964824 559648307 /nfs/dbraw/zinc/64/83/07/559648307.db2.gz HAZBIJBXVIZIFX-INIZCTEOSA-N 1 1 358.423 2.255 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@@H]2C1 ZINC000425067519 559686275 /nfs/dbraw/zinc/68/62/75/559686275.db2.gz ROYALGZCSAZMGQ-SUMWQHHRSA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)[C@@H]2C1 ZINC000425067519 559686276 /nfs/dbraw/zinc/68/62/76/559686276.db2.gz ROYALGZCSAZMGQ-SUMWQHHRSA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)[C@@H]2C1 ZINC000425067519 559686277 /nfs/dbraw/zinc/68/62/77/559686277.db2.gz ROYALGZCSAZMGQ-SUMWQHHRSA-N 1 1 355.398 2.151 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000425277278 559694549 /nfs/dbraw/zinc/69/45/49/559694549.db2.gz IIXCQATVJXVSNW-UHFFFAOYSA-N 1 1 373.251 2.299 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@H](n3ccnn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425356113 559697933 /nfs/dbraw/zinc/69/79/33/559697933.db2.gz VXLAXTFLAHYCKP-KRWDZBQOSA-N 1 1 367.413 2.424 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000427591747 559758502 /nfs/dbraw/zinc/75/85/02/559758502.db2.gz AISRHVOACRMVSS-ZFWWWQNUSA-N 1 1 357.414 2.377 20 5 FEBDMO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[NH2+]Cc2ccccc21 ZINC000428927211 559786167 /nfs/dbraw/zinc/78/61/67/559786167.db2.gz VEFRRIPKLKTEJT-UHFFFAOYSA-N 1 1 369.377 2.045 20 5 FEBDMO CC[C@@H](C)[C@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000429258242 559794082 /nfs/dbraw/zinc/79/40/82/559794082.db2.gz GSAVEZHIJZFEOS-WBMJQRKESA-N 1 1 365.430 2.123 20 5 FEBDMO COC[C@H]([NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000432638771 559862292 /nfs/dbraw/zinc/86/22/92/559862292.db2.gz OZOVISYKMMNSIR-CQDKDKBSSA-N 1 1 362.386 2.489 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000441642630 560036821 /nfs/dbraw/zinc/03/68/21/560036821.db2.gz HGAVSQZTTNAQME-ZIAGYGMSSA-N 1 1 361.398 2.251 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448709896 560195505 /nfs/dbraw/zinc/19/55/05/560195505.db2.gz RVECXYBLSINJSB-RHSMWYFYSA-N 1 1 355.398 2.342 20 5 FEBDMO CC[C@@H](CO)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449374421 560227517 /nfs/dbraw/zinc/22/75/17/560227517.db2.gz AKXSHFSJQAGLGZ-NSHDSACASA-N 1 1 364.183 2.402 20 5 FEBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nn(C)cc1Cl ZINC000449480093 560231566 /nfs/dbraw/zinc/23/15/66/560231566.db2.gz NORHWMQILUZLLH-SNVBAGLBSA-N 1 1 351.794 2.489 20 5 FEBDMO COc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000449522359 560232626 /nfs/dbraw/zinc/23/26/26/560232626.db2.gz WEWVJIRUUGQQOD-GXFFZTMASA-N 1 1 357.357 2.341 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449998766 560247732 /nfs/dbraw/zinc/24/77/32/560247732.db2.gz ZAWQVVHTDQAIBW-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000450471885 560263480 /nfs/dbraw/zinc/26/34/80/560263480.db2.gz DLKWLBWAECUWKU-ZDUSSCGKSA-N 1 1 360.414 2.045 20 5 FEBDMO COC(=O)[C@@H]([NH2+]CCCNc1c2ccccc2ncc1[N+](=O)[O-])C(C)C ZINC000450601791 560267636 /nfs/dbraw/zinc/26/76/36/560267636.db2.gz QGZIBLVSSHIGLF-INIZCTEOSA-N 1 1 360.414 2.154 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@H+](CCCO)C2)nc1-c1ccccc1 ZINC000450610779 560268059 /nfs/dbraw/zinc/26/80/59/560268059.db2.gz HHOIBAUBTOEWLP-INIZCTEOSA-N 1 1 356.426 2.916 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCCO)C2)nc1-c1ccc(F)cc1 ZINC000450617499 560268240 /nfs/dbraw/zinc/26/82/40/560268240.db2.gz RBQRQSULCNISTP-MRXNPFEDSA-N 1 1 374.416 3.055 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000450948147 560279584 /nfs/dbraw/zinc/27/95/84/560279584.db2.gz DRGWWICFPISOFH-HNNXBMFYSA-N 1 1 371.441 2.478 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000451033423 560283718 /nfs/dbraw/zinc/28/37/18/560283718.db2.gz TYZMCJZIPHUSDH-SFHVURJKSA-N 1 1 359.382 2.045 20 5 FEBDMO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542909 560313491 /nfs/dbraw/zinc/31/34/91/560313491.db2.gz ATRCUXDZRRRBOO-JSGCOSHPSA-N 1 1 371.445 2.369 20 5 FEBDMO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542909 560313492 /nfs/dbraw/zinc/31/34/92/560313492.db2.gz ATRCUXDZRRRBOO-JSGCOSHPSA-N 1 1 371.445 2.369 20 5 FEBDMO CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548099 560313818 /nfs/dbraw/zinc/31/38/18/560313818.db2.gz MTQXUUNWAHKESR-HNNXBMFYSA-N 1 1 374.441 2.495 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1cccnc1 ZINC000451545925 560313847 /nfs/dbraw/zinc/31/38/47/560313847.db2.gz HXNQXEWBPGZVRJ-QGZVFWFLSA-N 1 1 354.410 2.486 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1cccnc1 ZINC000451545925 560313848 /nfs/dbraw/zinc/31/38/48/560313848.db2.gz HXNQXEWBPGZVRJ-QGZVFWFLSA-N 1 1 354.410 2.486 20 5 FEBDMO COC[C@H](C)OC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549626 560314128 /nfs/dbraw/zinc/31/41/28/560314128.db2.gz PTJLHMAHDHFRHT-LESCRADOSA-N 1 1 352.431 2.187 20 5 FEBDMO CS(=O)(=O)N1CC[C@H](C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549674 560314157 /nfs/dbraw/zinc/31/41/57/560314157.db2.gz QBTIQQSGQLOMRH-GDBMZVCRSA-N 1 1 367.471 2.056 20 5 FEBDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551285 560314160 /nfs/dbraw/zinc/31/41/60/560314160.db2.gz UDCXSJSRXQDVAF-ZFWWWQNUSA-N 1 1 362.430 2.397 20 5 FEBDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551285 560314161 /nfs/dbraw/zinc/31/41/61/560314161.db2.gz UDCXSJSRXQDVAF-ZFWWWQNUSA-N 1 1 362.430 2.397 20 5 FEBDMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553148 560314301 /nfs/dbraw/zinc/31/43/01/560314301.db2.gz XPSXXJWIVXQKCB-HNNXBMFYSA-N 1 1 355.460 2.104 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451560103 560314712 /nfs/dbraw/zinc/31/47/12/560314712.db2.gz HVENEAWWTMUBRK-LRDDRELGSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOc1ccc(NC(=O)CN2CC[N@@H+](CC)C[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000451734059 560325574 /nfs/dbraw/zinc/32/55/74/560325574.db2.gz WJJOSBUDCVCIOS-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000452028135 560346396 /nfs/dbraw/zinc/34/63/96/560346396.db2.gz BXMOSGKHCRRQSZ-UHFFFAOYSA-N 1 1 374.363 2.152 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+](C2CC2)C1 ZINC000452164452 560354208 /nfs/dbraw/zinc/35/42/08/560354208.db2.gz NVGZPUBEGFDBPC-CQSZACIVSA-N 1 1 369.425 2.337 20 5 FEBDMO CNc1nc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000456055697 560505652 /nfs/dbraw/zinc/50/56/52/560505652.db2.gz TVXGZIKUWWYWMO-DZGCQCFKSA-N 1 1 369.425 2.424 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000456233695 560512827 /nfs/dbraw/zinc/51/28/27/560512827.db2.gz ZAVJQEYCXRZDRM-OKILXGFUSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000456233695 560512828 /nfs/dbraw/zinc/51/28/28/560512828.db2.gz ZAVJQEYCXRZDRM-OKILXGFUSA-N 1 1 363.458 2.419 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000458499558 560627584 /nfs/dbraw/zinc/62/75/84/560627584.db2.gz JXEKPIFSVRUNFP-ZNMIVQPWSA-N 1 1 364.446 2.061 20 5 FEBDMO CC(C)C[N@H+](Cc1cnn(C)c1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459601359 560697118 /nfs/dbraw/zinc/69/71/18/560697118.db2.gz XKKGBYBFUQLHBJ-MRXNPFEDSA-N 1 1 362.430 2.226 20 5 FEBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000467545380 560912231 /nfs/dbraw/zinc/91/22/31/560912231.db2.gz BXKFPTBAFSUFHP-SFHVURJKSA-N 1 1 366.414 2.395 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000468468160 560930584 /nfs/dbraw/zinc/93/05/84/560930584.db2.gz QMROJCAWQVBWND-MRXNPFEDSA-N 1 1 372.429 2.026 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000468972629 560943595 /nfs/dbraw/zinc/94/35/95/560943595.db2.gz POZTXKRSQOEFFF-UHFFFAOYSA-N 1 1 374.441 2.119 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000468972629 560943596 /nfs/dbraw/zinc/94/35/96/560943596.db2.gz POZTXKRSQOEFFF-UHFFFAOYSA-N 1 1 374.441 2.119 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000470063726 560973275 /nfs/dbraw/zinc/97/32/75/560973275.db2.gz AFNYKIQBFRNXAY-OAHLLOKOSA-N 1 1 374.441 2.167 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000470182979 560976290 /nfs/dbraw/zinc/97/62/90/560976290.db2.gz LJSAUMZJVZQDEN-KAMYIIQDSA-N 1 1 367.471 2.354 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472618543 561031070 /nfs/dbraw/zinc/03/10/70/561031070.db2.gz NWEMLFGFXHTCEO-TXEJJXNPSA-N 1 1 366.393 2.052 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000535695329 562564478 /nfs/dbraw/zinc/56/44/78/562564478.db2.gz XKXVYMVBBZKPFU-UHFFFAOYSA-N 1 1 373.457 2.080 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2ccc(NC)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000535758041 562567009 /nfs/dbraw/zinc/56/70/09/562567009.db2.gz SZBYIYMGLGOOFG-HNNXBMFYSA-N 1 1 364.446 2.209 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000536821719 562581233 /nfs/dbraw/zinc/58/12/33/562581233.db2.gz QRVCQSMIWQWTAP-UONOGXRCSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000536821719 562581234 /nfs/dbraw/zinc/58/12/34/562581234.db2.gz QRVCQSMIWQWTAP-UONOGXRCSA-N 1 1 357.414 2.063 20 5 FEBDMO CNc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901371 562596169 /nfs/dbraw/zinc/59/61/69/562596169.db2.gz ZSJGADFPRNSOHX-WBVHZDCISA-N 1 1 354.410 2.464 20 5 FEBDMO COc1ccccc1[C@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000541053786 562601575 /nfs/dbraw/zinc/60/15/75/562601575.db2.gz HKWSIOGMMOITNT-INIZCTEOSA-N 1 1 359.382 2.174 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)cc1SC ZINC000570789064 568522394 /nfs/dbraw/zinc/52/23/94/568522394.db2.gz XXDDVAXTCNZXSK-WDEREUQCSA-N 1 1 353.444 2.490 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1SC ZINC000570789064 568522395 /nfs/dbraw/zinc/52/23/95/568522395.db2.gz XXDDVAXTCNZXSK-WDEREUQCSA-N 1 1 353.444 2.490 20 5 FEBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[N@@H+](C)Cc1ccccc1 ZINC000736027048 598676070 /nfs/dbraw/zinc/67/60/70/598676070.db2.gz WBSIVLJIBJOQNF-GFCCVEGCSA-N 1 1 368.401 2.102 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000562885696 674819784 /nfs/dbraw/zinc/81/97/84/674819784.db2.gz BFOUNUXOGVRIRA-BETUJISGSA-N 1 1 351.403 2.293 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000563055940 674840058 /nfs/dbraw/zinc/84/00/58/674840058.db2.gz ZGNPMFGYKGEODS-AGUYFDCRSA-N 1 1 353.444 2.061 20 5 FEBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815035481 674904464 /nfs/dbraw/zinc/90/44/64/674904464.db2.gz LYSXWTAKJDVHTG-UHFFFAOYSA-N 1 1 353.803 2.006 20 5 FEBDMO Cc1cnc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001048607732 675011666 /nfs/dbraw/zinc/01/16/66/675011666.db2.gz KFQARNFFGZQHBU-KBUPBQIOSA-N 1 1 366.487 2.129 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816971978 675091630 /nfs/dbraw/zinc/09/16/30/675091630.db2.gz XJWACQLTRYTHHG-GFCCVEGCSA-N 1 1 354.838 2.004 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)CC[N@H+](C2CCC2)C1 ZINC000817021513 675093503 /nfs/dbraw/zinc/09/35/03/675093503.db2.gz KWDQFKOYHCYCQA-LLVKDONJSA-N 1 1 350.394 2.263 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCCCCC[NH+]1CCCC1 ZINC000577654977 671611618 /nfs/dbraw/zinc/61/16/18/671611618.db2.gz QWIVXJIYXLWVIA-UHFFFAOYSA-N 1 1 359.423 2.278 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610134959 675955950 /nfs/dbraw/zinc/95/59/50/675955950.db2.gz HLLDSCZPVUIBIM-ZIAGYGMSSA-N 1 1 355.460 2.397 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261445 675961893 /nfs/dbraw/zinc/96/18/93/675961893.db2.gz GEVUZSWAHRXVBB-HZSPNIEDSA-N 1 1 368.459 2.016 20 5 FEBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000126057850 672020155 /nfs/dbraw/zinc/02/01/55/672020155.db2.gz GENNBFZBUPAJSW-NSHDSACASA-N 1 1 352.822 2.355 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930229 676005905 /nfs/dbraw/zinc/00/59/05/676005905.db2.gz PCPNAWLSSSQMLW-GFCCVEGCSA-N 1 1 350.371 2.141 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930229 676005906 /nfs/dbraw/zinc/00/59/06/676005906.db2.gz PCPNAWLSSSQMLW-GFCCVEGCSA-N 1 1 350.371 2.141 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000589501400 672529447 /nfs/dbraw/zinc/52/94/47/672529447.db2.gz MJVOUVUQHJHHHM-CABCVRRESA-N 1 1 352.412 2.088 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000589501400 672529449 /nfs/dbraw/zinc/52/94/49/672529449.db2.gz MJVOUVUQHJHHHM-CABCVRRESA-N 1 1 352.412 2.088 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1C[N@H+](C)CCO1 ZINC000590309045 672571792 /nfs/dbraw/zinc/57/17/92/672571792.db2.gz HOUWFAKZDRDNCK-ZANVPECISA-N 1 1 361.320 2.063 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1C[N@@H+](C)CCO1 ZINC000590309045 672571796 /nfs/dbraw/zinc/57/17/96/672571796.db2.gz HOUWFAKZDRDNCK-ZANVPECISA-N 1 1 361.320 2.063 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)n1 ZINC000611576182 676045205 /nfs/dbraw/zinc/04/52/05/676045205.db2.gz ODLSYUNTJPYDME-CYBMUJFWSA-N 1 1 358.320 2.217 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2)C[C@@H](O)C(F)(F)F)n1 ZINC000611576182 676045207 /nfs/dbraw/zinc/04/52/07/676045207.db2.gz ODLSYUNTJPYDME-CYBMUJFWSA-N 1 1 358.320 2.217 20 5 FEBDMO Cc1cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)cc1[N+](=O)[O-] ZINC000591328963 672670749 /nfs/dbraw/zinc/67/07/49/672670749.db2.gz SJYZVFHZFKKHKJ-AGUYFDCRSA-N 1 1 353.444 2.115 20 5 FEBDMO COCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611773032 676054531 /nfs/dbraw/zinc/05/45/31/676054531.db2.gz IQSPFVZOJKAMPR-UHFFFAOYSA-N 1 1 355.822 2.223 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC2CCCC2)CC1 ZINC000195599382 672786796 /nfs/dbraw/zinc/78/67/96/672786796.db2.gz UJWLQBWAOJACQR-UHFFFAOYSA-N 1 1 367.471 2.400 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)CO1 ZINC000593060906 672870075 /nfs/dbraw/zinc/87/00/75/672870075.db2.gz FMKRHUJYKWOXED-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO COCCOCC[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000593118715 672878825 /nfs/dbraw/zinc/87/88/25/672878825.db2.gz XXRKQIPKGOOHOQ-UHFFFAOYSA-N 1 1 357.838 2.029 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593698681 672980352 /nfs/dbraw/zinc/98/03/52/672980352.db2.gz WBEBSXIOBGMRPJ-HNNXBMFYSA-N 1 1 356.325 2.378 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000612630420 676090940 /nfs/dbraw/zinc/09/09/40/676090940.db2.gz MRJKTLMDMNKZGN-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594754083 673130046 /nfs/dbraw/zinc/13/00/46/673130046.db2.gz OELNINMGJJEJLC-CYBMUJFWSA-N 1 1 370.475 2.169 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000594787683 673141974 /nfs/dbraw/zinc/14/19/74/673141974.db2.gz CBAMGONBTHFZLN-CYBMUJFWSA-N 1 1 355.460 2.302 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)CN1CCN(C)CC1 ZINC000595012007 673186277 /nfs/dbraw/zinc/18/62/77/673186277.db2.gz MOBSKWXZMCHRNE-LSDHHAIUSA-N 1 1 350.463 2.138 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000462584960 673265965 /nfs/dbraw/zinc/26/59/65/673265965.db2.gz PXAJUISMRAZXAM-OAHLLOKOSA-N 1 1 367.471 2.446 20 5 FEBDMO COc1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])cc1F ZINC000613286095 676121685 /nfs/dbraw/zinc/12/16/85/676121685.db2.gz GMSWYRXWRWVBKG-AWEZNQCLSA-N 1 1 353.394 2.039 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595829315 673328799 /nfs/dbraw/zinc/32/87/99/673328799.db2.gz PDVWLYWQUSHAPD-ZDUSSCGKSA-N 1 1 372.208 2.387 20 5 FEBDMO COc1cc(N2CCN(c3[nH+]ccn3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596133389 673362190 /nfs/dbraw/zinc/36/21/90/673362190.db2.gz ASODLHRGEPOZAJ-UHFFFAOYSA-N 1 1 351.794 2.317 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000596211096 673368320 /nfs/dbraw/zinc/36/83/20/673368320.db2.gz PPYKSRIYBHBTQT-UHFFFAOYSA-N 1 1 352.192 2.407 20 5 FEBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810840 673384000 /nfs/dbraw/zinc/38/40/00/673384000.db2.gz PCZFVVSBKCRBCT-ZDUSSCGKSA-N 1 1 361.320 2.069 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732810840 673384004 /nfs/dbraw/zinc/38/40/04/673384004.db2.gz PCZFVVSBKCRBCT-ZDUSSCGKSA-N 1 1 361.320 2.069 20 5 FEBDMO CC(C)C[C@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000537446225 673390079 /nfs/dbraw/zinc/39/00/79/673390079.db2.gz QIZHVPCAYGEEAY-YOEHRIQHSA-N 1 1 350.463 2.338 20 5 FEBDMO CC(C)C[C@H](N[C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000538548606 673445929 /nfs/dbraw/zinc/44/59/29/673445929.db2.gz QCPGUWYGMZRQSA-PBHICJAKSA-N 1 1 350.463 2.338 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1[N+](=O)[O-] ZINC000598606061 673589204 /nfs/dbraw/zinc/58/92/04/673589204.db2.gz YSJBXMMQVFXMMP-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598612470 673590398 /nfs/dbraw/zinc/59/03/98/673590398.db2.gz PPTCRNMLYRIHMJ-UHFFFAOYSA-N 1 1 366.443 2.475 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CS(=O)(=O)Cc2ccccc21 ZINC000598644601 673593642 /nfs/dbraw/zinc/59/36/42/673593642.db2.gz QYTYHUOKQRGHIZ-OAHLLOKOSA-N 1 1 362.407 2.233 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000543677042 673660945 /nfs/dbraw/zinc/66/09/45/673660945.db2.gz WXJBZYFYOVDDHG-GXTWGEPZSA-N 1 1 355.460 2.315 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000601357005 673847624 /nfs/dbraw/zinc/84/76/24/673847624.db2.gz YDGBTXWOPKGLJI-TZMCWYRMSA-N 1 1 373.450 2.393 20 5 FEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601440754 673862752 /nfs/dbraw/zinc/86/27/52/673862752.db2.gz XDRFTBQLXUZXIF-NSHDSACASA-N 1 1 361.851 2.353 20 5 FEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000601440754 673862754 /nfs/dbraw/zinc/86/27/54/673862754.db2.gz XDRFTBQLXUZXIF-NSHDSACASA-N 1 1 361.851 2.353 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000601447879 673863915 /nfs/dbraw/zinc/86/39/15/673863915.db2.gz XSCKHHUDFKGJJA-HNNXBMFYSA-N 1 1 373.862 2.271 20 5 FEBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC([N@H+]2CCCOCC2)CC1 ZINC000601634520 673889198 /nfs/dbraw/zinc/88/91/98/673889198.db2.gz WJZSTQMSHRXPBV-UHFFFAOYSA-N 1 1 351.378 2.061 20 5 FEBDMO C[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1(O)CCOCC1 ZINC000602628139 673908655 /nfs/dbraw/zinc/90/86/55/673908655.db2.gz HNDLZHJZJDZAMO-UHFFFAOYSA-N 1 1 365.249 2.392 20 5 FEBDMO C[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)CC1(O)CCOCC1 ZINC000602628139 673908662 /nfs/dbraw/zinc/90/86/62/673908662.db2.gz HNDLZHJZJDZAMO-UHFFFAOYSA-N 1 1 365.249 2.392 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000602846451 673911716 /nfs/dbraw/zinc/91/17/16/673911716.db2.gz OPTVDZMCGRLPIB-OCCSQVGLSA-N 1 1 352.435 2.399 20 5 FEBDMO Cc1sc(C(=O)N[C@H]2C[C@H]([NH+]3CCOCC3)C2(C)C)cc1[N+](=O)[O-] ZINC000603111497 673917414 /nfs/dbraw/zinc/91/74/14/673917414.db2.gz RAKASADKGPVLQL-KBPBESRZSA-N 1 1 353.444 2.194 20 5 FEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000567672143 675311265 /nfs/dbraw/zinc/31/12/65/675311265.db2.gz GLTPNURPOYVPKD-SNVBAGLBSA-N 1 1 364.146 2.036 20 5 FEBDMO CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000824835543 675624716 /nfs/dbraw/zinc/62/47/16/675624716.db2.gz XASQMVFTJGJEIC-JTQLQIEISA-N 1 1 371.235 2.106 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827289014 675745645 /nfs/dbraw/zinc/74/56/45/675745645.db2.gz PUKUNNBOAIMPFG-VXGBXAGGSA-N 1 1 355.341 2.362 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000827415805 675754139 /nfs/dbraw/zinc/75/41/39/675754139.db2.gz MWDRCXSYAQBNJM-UHFFFAOYSA-N 1 1 369.849 2.475 20 5 FEBDMO C[N@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000827908112 675786506 /nfs/dbraw/zinc/78/65/06/675786506.db2.gz KNPLUIGAMHTLPA-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO C[N@@H+](Cc1c(Br)cccc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000827908112 675786507 /nfs/dbraw/zinc/78/65/07/675786507.db2.gz KNPLUIGAMHTLPA-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000603777022 675801261 /nfs/dbraw/zinc/80/12/61/675801261.db2.gz NDMAXPNTGFREMP-HNNXBMFYSA-N 1 1 361.423 2.148 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000603777022 675801264 /nfs/dbraw/zinc/80/12/64/675801264.db2.gz NDMAXPNTGFREMP-HNNXBMFYSA-N 1 1 361.423 2.148 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000618455831 676340398 /nfs/dbraw/zinc/34/03/98/676340398.db2.gz VPZRVJCYDVTQDQ-DZGCQCFKSA-N 1 1 367.833 2.228 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000619500615 676382170 /nfs/dbraw/zinc/38/21/70/676382170.db2.gz QHPRWGZLHIMZIC-AWEZNQCLSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000619500615 676382171 /nfs/dbraw/zinc/38/21/71/676382171.db2.gz QHPRWGZLHIMZIC-AWEZNQCLSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)c([N+](=O)[O-])cc1F ZINC000830124806 677026727 /nfs/dbraw/zinc/02/67/27/677026727.db2.gz QBELPTFPPCPHJF-NSHDSACASA-N 1 1 353.350 2.017 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](CN3CCOC3=O)C2)c([N+](=O)[O-])cc1F ZINC000830124806 677026728 /nfs/dbraw/zinc/02/67/28/677026728.db2.gz QBELPTFPPCPHJF-NSHDSACASA-N 1 1 353.350 2.017 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000839415902 680752343 /nfs/dbraw/zinc/75/23/43/680752343.db2.gz VMVUXAKFIHSJBG-CYBMUJFWSA-N 1 1 350.375 2.368 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000839415902 680752345 /nfs/dbraw/zinc/75/23/45/680752345.db2.gz VMVUXAKFIHSJBG-CYBMUJFWSA-N 1 1 350.375 2.368 20 5 FEBDMO COC(=O)C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCOC1 ZINC000839559577 680761605 /nfs/dbraw/zinc/76/16/05/680761605.db2.gz JDMUNYGQCMOTLX-AWEZNQCLSA-N 1 1 373.203 2.169 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)[C@H](C)C1 ZINC000839565136 680762150 /nfs/dbraw/zinc/76/21/50/680762150.db2.gz YVGQNYWMWHBQOB-NEPJUHHUSA-N 1 1 372.263 2.244 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCO)C2CCOCC2)c1Br ZINC000839573892 680762936 /nfs/dbraw/zinc/76/29/36/680762936.db2.gz HVWVOGMQWKMZBQ-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@H+](CCO)C2CCOCC2)c1Br ZINC000839573892 680762937 /nfs/dbraw/zinc/76/29/37/680762937.db2.gz HVWVOGMQWKMZBQ-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO CC(C)([NH2+]CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000839590559 680764198 /nfs/dbraw/zinc/76/41/98/680764198.db2.gz XEJDZQGVCUBPQW-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000763236893 680776827 /nfs/dbraw/zinc/77/68/27/680776827.db2.gz KOGHFOMLPKZZGX-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO C[C@H]1CCSCC[N@@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840051307 680795143 /nfs/dbraw/zinc/79/51/43/680795143.db2.gz BLUQTZTWQAUVAE-BLLLJJGKSA-N 1 1 351.428 2.317 20 5 FEBDMO C[C@H]1CCSCC[N@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840051307 680795144 /nfs/dbraw/zinc/79/51/44/680795144.db2.gz BLUQTZTWQAUVAE-BLLLJJGKSA-N 1 1 351.428 2.317 20 5 FEBDMO COC(=O)[C@@H]1CSCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000840186340 680805442 /nfs/dbraw/zinc/80/54/42/680805442.db2.gz MUQYWUHYMINROM-LBPRGKRZSA-N 1 1 364.427 2.048 20 5 FEBDMO COC(=O)[C@@H]1CSCC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000840186340 680805444 /nfs/dbraw/zinc/80/54/44/680805444.db2.gz MUQYWUHYMINROM-LBPRGKRZSA-N 1 1 364.427 2.048 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000911846593 685271295 /nfs/dbraw/zinc/27/12/95/685271295.db2.gz SFMRMWMNMLLQCJ-ZIAGYGMSSA-N 1 1 367.833 2.477 20 5 FEBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022064079 680193550 /nfs/dbraw/zinc/19/35/50/680193550.db2.gz VAPWAMSMZHLONA-GFQSEFKGSA-N 1 1 358.225 2.395 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000753803991 680316229 /nfs/dbraw/zinc/31/62/29/680316229.db2.gz OFKCADRHVGVIQH-SECBINFHSA-N 1 1 356.220 2.442 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000753803991 680316231 /nfs/dbraw/zinc/31/62/31/680316231.db2.gz OFKCADRHVGVIQH-SECBINFHSA-N 1 1 356.220 2.442 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cc(O)ccc2Cl)CC1 ZINC000997773097 680365793 /nfs/dbraw/zinc/36/57/93/680365793.db2.gz SWANMTAHYGAFIT-GDBMZVCRSA-N 1 1 367.833 2.039 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000837174780 680563510 /nfs/dbraw/zinc/56/35/10/680563510.db2.gz JFKXFRPPASQGDE-UHFFFAOYSA-N 1 1 371.235 2.357 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000841549726 680895933 /nfs/dbraw/zinc/89/59/33/680895933.db2.gz QOTGNWLAVWFOOU-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000843856852 681022419 /nfs/dbraw/zinc/02/24/19/681022419.db2.gz LTNJINPWEXJXGJ-CYBMUJFWSA-N 1 1 350.375 2.414 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1ccccc1Cl)CC2 ZINC001050516435 681049115 /nfs/dbraw/zinc/04/91/15/681049115.db2.gz BCZKQVWDCOIVNI-GDBMZVCRSA-N 1 1 363.845 2.430 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)(C)C1 ZINC000844950711 681094758 /nfs/dbraw/zinc/09/47/58/681094758.db2.gz QBELECYNGBEROZ-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)(C)C1 ZINC000844950711 681094760 /nfs/dbraw/zinc/09/47/60/681094760.db2.gz QBELECYNGBEROZ-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO CN1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@@H+](C)CC1 ZINC000933990790 681493873 /nfs/dbraw/zinc/49/38/73/681493873.db2.gz RORMBOKKWQCAOB-UHFFFAOYSA-N 1 1 371.279 2.037 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848509023 681566623 /nfs/dbraw/zinc/56/66/23/681566623.db2.gz RJAXNFMHXKLWAI-KGLIPLIRSA-N 1 1 371.434 2.338 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581316 681582640 /nfs/dbraw/zinc/58/26/40/681582640.db2.gz OYNDDFUDNPWDAA-YPMHNXCESA-N 1 1 355.341 2.309 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848586702 681584134 /nfs/dbraw/zinc/58/41/34/681584134.db2.gz CDYBRVDKAUNVLY-GFCCVEGCSA-N 1 1 357.357 2.367 20 5 FEBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000912951119 685467613 /nfs/dbraw/zinc/46/76/13/685467613.db2.gz GSNBAUZGJMLXOC-UHFFFAOYSA-N 1 1 355.822 2.479 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000849460982 681747041 /nfs/dbraw/zinc/74/70/41/681747041.db2.gz LBYQWTMZELYACZ-LBPRGKRZSA-N 1 1 371.434 2.419 20 5 FEBDMO Nc1c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000935690904 681802354 /nfs/dbraw/zinc/80/23/54/681802354.db2.gz YBCCUFFUFVDMLA-QWRGUYRKSA-N 1 1 374.775 2.228 20 5 FEBDMO CC[N@@H+](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000781625938 681954244 /nfs/dbraw/zinc/95/42/44/681954244.db2.gz BGZUITHOSIWQMY-UHFFFAOYSA-N 1 1 352.391 2.282 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Cl)nc2)cc1 ZINC000783910543 682185996 /nfs/dbraw/zinc/18/59/96/682185996.db2.gz VMWNFHQBCQTCGM-UHFFFAOYSA-N 1 1 355.803 2.207 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000790265623 682663403 /nfs/dbraw/zinc/66/34/03/682663403.db2.gz NNFBRECQIDGEBD-ZYHUDNBSSA-N 1 1 369.805 2.310 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855809256 682715071 /nfs/dbraw/zinc/71/50/71/682715071.db2.gz AGQVUEZQDKKIFL-LLVKDONJSA-N 1 1 350.394 2.453 20 5 FEBDMO C[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccns1 ZINC000860051381 683195483 /nfs/dbraw/zinc/19/54/83/683195483.db2.gz MCVXXMYQEXPRGL-MRVPVSSYSA-N 1 1 350.356 2.069 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@H+]1C ZINC000798173281 683317514 /nfs/dbraw/zinc/31/75/14/683317514.db2.gz WJDLVVPZWALBJN-ZJUUUORDSA-N 1 1 371.235 2.307 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c([N+](=O)[O-])cc1F ZINC000928081023 683373356 /nfs/dbraw/zinc/37/33/56/683373356.db2.gz OFNSSPHTMYNQPF-TZMCWYRMSA-N 1 1 369.418 2.052 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c([N+](=O)[O-])cc1F ZINC000928081023 683373365 /nfs/dbraw/zinc/37/33/65/683373365.db2.gz OFNSSPHTMYNQPF-TZMCWYRMSA-N 1 1 369.418 2.052 20 5 FEBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347725 683394083 /nfs/dbraw/zinc/39/40/83/683394083.db2.gz LLBCLLOYGWXQHN-BNLOLNQZSA-N 1 1 354.378 2.490 20 5 FEBDMO C[C@@H]1[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928430961 683449838 /nfs/dbraw/zinc/44/98/38/683449838.db2.gz KHLLQHXXMKQBLT-SKDRFNHKSA-N 1 1 356.220 2.109 20 5 FEBDMO C[C@H]1[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928430959 683450249 /nfs/dbraw/zinc/45/02/49/683450249.db2.gz KHLLQHXXMKQBLT-CABZTGNLSA-N 1 1 356.220 2.109 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000862033084 683519559 /nfs/dbraw/zinc/51/95/59/683519559.db2.gz ZKWNUUNJGZUXNW-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930716558 683775437 /nfs/dbraw/zinc/77/54/37/683775437.db2.gz OMYJDGAOMPSMAA-JTQLQIEISA-N 1 1 356.220 2.267 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930716558 683775441 /nfs/dbraw/zinc/77/54/41/683775441.db2.gz OMYJDGAOMPSMAA-JTQLQIEISA-N 1 1 356.220 2.267 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000931186302 683849467 /nfs/dbraw/zinc/84/94/67/683849467.db2.gz LVCIALXIKHKCFF-STQMWFEESA-N 1 1 367.833 2.160 20 5 FEBDMO C[NH+](C)Cc1cnc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000865705042 684016527 /nfs/dbraw/zinc/01/65/27/684016527.db2.gz DIHFXVVEAPNXLG-INIZCTEOSA-N 1 1 350.444 2.110 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000865731654 684020491 /nfs/dbraw/zinc/02/04/91/684020491.db2.gz VAXLSNOGJUAMRI-VIFPVBQESA-N 1 1 358.324 2.465 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866205564 684083017 /nfs/dbraw/zinc/08/30/17/684083017.db2.gz MTCQGMDWLXZYJF-IAQYHMDHSA-N 1 1 351.378 2.441 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000866866343 684170888 /nfs/dbraw/zinc/17/08/88/684170888.db2.gz NHYPETRKJCPWPK-DGCLKSJQSA-N 1 1 359.423 2.003 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000866985660 684191623 /nfs/dbraw/zinc/19/16/23/684191623.db2.gz KBRRPOSEHZSREH-OCCSQVGLSA-N 1 1 371.434 2.147 20 5 FEBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434300 684282885 /nfs/dbraw/zinc/28/28/85/684282885.db2.gz PGSSNJMNWVBXCS-FRRDWIJNSA-N 1 1 366.849 2.459 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000925239075 684543230 /nfs/dbraw/zinc/54/32/30/684543230.db2.gz SZTLAYLLAOOYMX-ZIAGYGMSSA-N 1 1 350.419 2.018 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000925239075 684543233 /nfs/dbraw/zinc/54/32/33/684543233.db2.gz SZTLAYLLAOOYMX-ZIAGYGMSSA-N 1 1 350.419 2.018 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)cc1[N+](=O)[O-] ZINC000871156783 684791666 /nfs/dbraw/zinc/79/16/66/684791666.db2.gz MLKCTAGMHUPEFF-UHFFFAOYSA-N 1 1 352.410 2.356 20 5 FEBDMO O=c1c(Br)cc([N+](=O)[O-])cn1Cc1[nH+]ccn1CC(F)F ZINC000871657761 684841610 /nfs/dbraw/zinc/84/16/10/684841610.db2.gz IPTHXSNZGUUNQI-UHFFFAOYSA-N 1 1 363.118 2.029 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000872661747 684999059 /nfs/dbraw/zinc/99/90/59/684999059.db2.gz BHHHHUDSARMZFY-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000872661747 684999066 /nfs/dbraw/zinc/99/90/66/684999066.db2.gz BHHHHUDSARMZFY-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872661976 684999627 /nfs/dbraw/zinc/99/96/27/684999627.db2.gz BFLYBVIKWXMROQ-NWDGAFQWSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872661976 684999631 /nfs/dbraw/zinc/99/96/31/684999631.db2.gz BFLYBVIKWXMROQ-NWDGAFQWSA-N 1 1 359.835 2.105 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000872666113 685001325 /nfs/dbraw/zinc/00/13/25/685001325.db2.gz WSBKDGGHWILUND-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878823361 686668113 /nfs/dbraw/zinc/66/81/13/686668113.db2.gz SJYFWLHRCGSLQN-UHFFFAOYSA-N 1 1 351.403 2.218 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000880135177 687003999 /nfs/dbraw/zinc/00/39/99/687003999.db2.gz RFOLBWXHAACTFD-UONOGXRCSA-N 1 1 352.822 2.355 20 5 FEBDMO COCC[N@@H+]1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883287799 687599508 /nfs/dbraw/zinc/59/95/08/687599508.db2.gz GTHVGFCNASOVIH-ZDUSSCGKSA-N 1 1 358.236 2.168 20 5 FEBDMO COCC[N@H+]1CC[C@H](NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883287799 687599514 /nfs/dbraw/zinc/59/95/14/687599514.db2.gz GTHVGFCNASOVIH-ZDUSSCGKSA-N 1 1 358.236 2.168 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000884958132 687975553 /nfs/dbraw/zinc/97/55/53/687975553.db2.gz ZLCMXNCRFCRWTF-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000885855126 688169733 /nfs/dbraw/zinc/16/97/33/688169733.db2.gz JQFDEKIHYGYDDI-ZDUSSCGKSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885868604 688174170 /nfs/dbraw/zinc/17/41/70/688174170.db2.gz LEBWOQHDNNPNTP-OAHLLOKOSA-N 1 1 367.833 2.160 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000894048444 689456237 /nfs/dbraw/zinc/45/62/37/689456237.db2.gz WKQGNLKDDMCSQR-DOMZBBRYSA-N 1 1 352.822 2.136 20 5 FEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000894407737 689525831 /nfs/dbraw/zinc/52/58/31/689525831.db2.gz BGCRYIYQYUINFN-QWRGUYRKSA-N 1 1 364.320 2.302 20 5 FEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000894407737 689525836 /nfs/dbraw/zinc/52/58/36/689525836.db2.gz BGCRYIYQYUINFN-QWRGUYRKSA-N 1 1 364.320 2.302 20 5 FEBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000895570739 689737286 /nfs/dbraw/zinc/73/72/86/689737286.db2.gz XDPOJOQUYOTYSG-DTWKUNHWSA-N 1 1 365.381 2.339 20 5 FEBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000895570739 689737288 /nfs/dbraw/zinc/73/72/88/689737288.db2.gz XDPOJOQUYOTYSG-DTWKUNHWSA-N 1 1 365.381 2.339 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)cc1Cl ZINC000896915562 689950353 /nfs/dbraw/zinc/95/03/53/689950353.db2.gz ZYYUJYLJKURVKS-MGPLVRAMSA-N 1 1 353.806 2.423 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000897685040 690062830 /nfs/dbraw/zinc/06/28/30/690062830.db2.gz ZGJZGAYFVYMFDT-JOYOIKCWSA-N 1 1 364.320 2.357 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000897685040 690062832 /nfs/dbraw/zinc/06/28/32/690062832.db2.gz ZGJZGAYFVYMFDT-JOYOIKCWSA-N 1 1 364.320 2.357 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000900846338 690573554 /nfs/dbraw/zinc/57/35/54/690573554.db2.gz ZWCZTJIPUXJJLJ-LLVKDONJSA-N 1 1 371.796 2.182 20 5 FEBDMO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]CC[N+](=O)[O-])C1=O ZINC000905257982 691090641 /nfs/dbraw/zinc/09/06/41/691090641.db2.gz UODSNDFZKCVIOF-CYBMUJFWSA-N 1 1 370.247 2.428 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000906458556 691271864 /nfs/dbraw/zinc/27/18/64/691271864.db2.gz GQYUSJLTQICUNX-CABCVRRESA-N 1 1 367.833 2.160 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCC[N@H+]1CCCOCC1 ZINC000907618167 691527106 /nfs/dbraw/zinc/52/71/06/691527106.db2.gz TTYLULSRGRNIIZ-UHFFFAOYSA-N 1 1 355.822 2.019 20 5 FEBDMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000908075468 691610234 /nfs/dbraw/zinc/61/02/34/691610234.db2.gz IYKWZIVYDZTZTH-LBPRGKRZSA-N 1 1 370.203 2.017 20 5 FEBDMO Nc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164906332 721539642 /nfs/dbraw/zinc/53/96/42/721539642.db2.gz JVLKKUYLCDOHHS-ZFWWWQNUSA-N 1 1 373.388 2.053 20 5 FEBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165053515 722009941 /nfs/dbraw/zinc/00/99/41/722009941.db2.gz ISIMPOYPPGJEIC-UHFFFAOYSA-N 1 1 362.821 2.106 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000008374601 539485441 /nfs/dbraw/zinc/48/54/41/539485441.db2.gz MNBRBJKIWNKBMD-UHFFFAOYSA-N 1 1 365.821 2.183 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000024621213 539736024 /nfs/dbraw/zinc/73/60/24/539736024.db2.gz JPOPKOAXJRBMQW-UHFFFAOYSA-N 1 1 369.421 2.361 20 5 FEBDMO O=C(CN1CC[NH+](Cc2cccs2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000025799405 539769848 /nfs/dbraw/zinc/76/98/48/539769848.db2.gz XWVAADYPXZRYFG-UHFFFAOYSA-N 1 1 360.439 2.413 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000029159099 539844344 /nfs/dbraw/zinc/84/43/44/539844344.db2.gz KTPJPWAQEGQHQY-AWEZNQCLSA-N 1 1 374.441 2.256 20 5 FEBDMO Cc1c(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000043347320 540098066 /nfs/dbraw/zinc/09/80/66/540098066.db2.gz BWTIZXQREITAHE-MRXNPFEDSA-N 1 1 350.419 2.382 20 5 FEBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000054059162 540567359 /nfs/dbraw/zinc/56/73/59/540567359.db2.gz UEAJYEXGZYUMGV-UHFFFAOYSA-N 1 1 365.405 2.499 20 5 FEBDMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000054394457 540588052 /nfs/dbraw/zinc/58/80/52/540588052.db2.gz IZVHLFWAVKRHCB-AWEZNQCLSA-N 1 1 350.371 2.379 20 5 FEBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000054394457 540588055 /nfs/dbraw/zinc/58/80/55/540588055.db2.gz IZVHLFWAVKRHCB-AWEZNQCLSA-N 1 1 350.371 2.379 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000056116948 540704391 /nfs/dbraw/zinc/70/43/91/540704391.db2.gz XJALTERGYBFEBZ-UHFFFAOYSA-N 1 1 358.807 2.122 20 5 FEBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056142239 540707116 /nfs/dbraw/zinc/70/71/16/540707116.db2.gz QZQSNUCMCODSQE-UHFFFAOYSA-N 1 1 369.487 2.478 20 5 FEBDMO Cc1nn(Cc2ccc(C(=O)NCC[N@H+](C)C3CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000066924450 541395195 /nfs/dbraw/zinc/39/51/95/541395195.db2.gz VSAYYWAECMPXKV-UHFFFAOYSA-N 1 1 371.441 2.280 20 5 FEBDMO CC(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067419495 541462000 /nfs/dbraw/zinc/46/20/00/541462000.db2.gz NHKLDBPFNANKJE-OAHLLOKOSA-N 1 1 362.430 2.080 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000068476149 541596957 /nfs/dbraw/zinc/59/69/57/541596957.db2.gz YMRVXNAMPJWESZ-GFCCVEGCSA-N 1 1 351.403 2.431 20 5 FEBDMO COC(=O)c1cccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665308 541847377 /nfs/dbraw/zinc/84/73/77/541847377.db2.gz OGPYXDWKVZCBMO-HNNXBMFYSA-N 1 1 356.382 2.463 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000072716657 541855812 /nfs/dbraw/zinc/85/58/12/541855812.db2.gz HFBIVZHHVQTHAA-OAHLLOKOSA-N 1 1 367.471 2.256 20 5 FEBDMO CC(C)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000073501223 541959762 /nfs/dbraw/zinc/95/97/62/541959762.db2.gz LPZJCGUTQQNZGK-INIZCTEOSA-N 1 1 350.419 2.463 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC000073996338 542024450 /nfs/dbraw/zinc/02/44/50/542024450.db2.gz PGEFYRIIHNELRV-CABCVRRESA-N 1 1 361.398 2.080 20 5 FEBDMO COC(=O)CC[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000074321105 542069587 /nfs/dbraw/zinc/06/95/87/542069587.db2.gz YTDTUOMDJMHSPK-UHFFFAOYSA-N 1 1 357.794 2.460 20 5 FEBDMO COC(=O)CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000074321105 542069591 /nfs/dbraw/zinc/06/95/91/542069591.db2.gz YTDTUOMDJMHSPK-UHFFFAOYSA-N 1 1 357.794 2.460 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000045809666 220974983 /nfs/dbraw/zinc/97/49/83/220974983.db2.gz GDNRWUQCIJIYRI-OAHLLOKOSA-N 1 1 369.468 2.379 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)CCO1 ZINC000083171185 542693102 /nfs/dbraw/zinc/69/31/02/542693102.db2.gz ANFKFRFHNYUSCR-ZDUSSCGKSA-N 1 1 360.414 2.421 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089933239 542775772 /nfs/dbraw/zinc/77/57/72/542775772.db2.gz XSDTVMGIVKAKLX-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000089927035 542774152 /nfs/dbraw/zinc/77/41/52/542774152.db2.gz UTQUIRRSTUDQQP-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO O=C(NC1CC1)c1ccc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090146268 542783449 /nfs/dbraw/zinc/78/34/49/542783449.db2.gz WNCWVPRTUFPTOC-CVEARBPZSA-N 1 1 374.441 2.152 20 5 FEBDMO O=C(NC1CC1)c1ccc(NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090146268 542783450 /nfs/dbraw/zinc/78/34/50/542783450.db2.gz WNCWVPRTUFPTOC-CVEARBPZSA-N 1 1 374.441 2.152 20 5 FEBDMO Cc1c(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000089962532 542779754 /nfs/dbraw/zinc/77/97/54/542779754.db2.gz ZECJZEZROZWMNX-DLBZAZTESA-N 1 1 369.421 2.268 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247435747 549333937 /nfs/dbraw/zinc/33/39/37/549333937.db2.gz PBHONBJCHGWFAV-MLGOLLRUSA-N 1 1 363.414 2.184 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000101957141 543051827 /nfs/dbraw/zinc/05/18/27/543051827.db2.gz WLYAHQRHIGMQIW-UHFFFAOYSA-N 1 1 350.375 2.334 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891506 543253027 /nfs/dbraw/zinc/25/30/27/543253027.db2.gz GQWMDMRZWURJSS-CYBMUJFWSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106891804 543253061 /nfs/dbraw/zinc/25/30/61/543253061.db2.gz MYOPLNKXGPPNMX-AWEZNQCLSA-N 1 1 353.444 2.031 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000111231230 543387837 /nfs/dbraw/zinc/38/78/37/543387837.db2.gz VHRJKWROTZFEPX-HNNXBMFYSA-N 1 1 350.438 2.336 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000111274376 543391512 /nfs/dbraw/zinc/39/15/12/543391512.db2.gz GERTYSQYRNOALR-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000115586098 543575867 /nfs/dbraw/zinc/57/58/67/543575867.db2.gz JDLPTGCGRDSUIW-LLVKDONJSA-N 1 1 361.851 2.211 20 5 FEBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000122585574 543711827 /nfs/dbraw/zinc/71/18/27/543711827.db2.gz BBIBHARUKWGVKB-MRXNPFEDSA-N 1 1 357.414 2.048 20 5 FEBDMO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123947458 543792677 /nfs/dbraw/zinc/79/26/77/543792677.db2.gz WVOUUIMQQKBUMF-ZYHUDNBSSA-N 1 1 350.375 2.366 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000123619796 543772672 /nfs/dbraw/zinc/77/26/72/543772672.db2.gz JPQLPQDVVZFYBX-HUUCEWRRSA-N 1 1 365.455 2.180 20 5 FEBDMO COc1ccc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000123956223 543793563 /nfs/dbraw/zinc/79/35/63/543793563.db2.gz CVBMDNRYZIWZBC-UHFFFAOYSA-N 1 1 351.447 2.394 20 5 FEBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000127164795 543976134 /nfs/dbraw/zinc/97/61/34/543976134.db2.gz KCHAJPSZFTZUBP-AOOOYVTPSA-N 1 1 373.356 2.369 20 5 FEBDMO COc1cc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000127164795 543976137 /nfs/dbraw/zinc/97/61/37/543976137.db2.gz KCHAJPSZFTZUBP-AOOOYVTPSA-N 1 1 373.356 2.369 20 5 FEBDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000128177090 544036926 /nfs/dbraw/zinc/03/69/26/544036926.db2.gz KUUTURZGMNCBLS-ZDUSSCGKSA-N 1 1 374.319 2.183 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000129961794 544133252 /nfs/dbraw/zinc/13/32/52/544133252.db2.gz AHQDDULAWOOVJR-MLGOLLRUSA-N 1 1 363.443 2.052 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)COC2CCOCC2)C2CC2)cc1 ZINC000130407317 544149446 /nfs/dbraw/zinc/14/94/46/544149446.db2.gz TWOGMLRSXNLHMS-QGZVFWFLSA-N 1 1 350.415 2.116 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134933150 544328591 /nfs/dbraw/zinc/32/85/91/544328591.db2.gz IKBKKODPWRHIDV-CYBMUJFWSA-N 1 1 368.865 2.252 20 5 FEBDMO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@@H+](C)C1CC1 ZINC000151237178 544520225 /nfs/dbraw/zinc/52/02/25/544520225.db2.gz UVIBLFVIOQJASD-JTQLQIEISA-N 1 1 370.247 2.499 20 5 FEBDMO Cc1cc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000151637384 544565392 /nfs/dbraw/zinc/56/53/92/544565392.db2.gz IRQOBJQMCKRPFR-AWEZNQCLSA-N 1 1 366.849 2.299 20 5 FEBDMO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000153153692 544739798 /nfs/dbraw/zinc/73/97/98/544739798.db2.gz NRKJWDGYRMOLSV-CQSZACIVSA-N 1 1 351.447 2.491 20 5 FEBDMO COc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000153517501 544785838 /nfs/dbraw/zinc/78/58/38/544785838.db2.gz QKCBAZIQUMVLPA-SNVBAGLBSA-N 1 1 373.356 2.371 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153942866 544842928 /nfs/dbraw/zinc/84/29/28/544842928.db2.gz YIETZHSOWMXRTK-KSSFIOAISA-N 1 1 359.426 2.449 20 5 FEBDMO C[C@H](C[NH+]1CCOCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552397212 674207487 /nfs/dbraw/zinc/20/74/87/674207487.db2.gz VFGYSEOUBQEWFA-SNVBAGLBSA-N 1 1 372.219 2.264 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000184821349 327884537 /nfs/dbraw/zinc/88/45/37/327884537.db2.gz CRIYRLLBWRAWNA-DOTOQJQBSA-N 1 1 363.458 2.248 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189256444 328137257 /nfs/dbraw/zinc/13/72/57/328137257.db2.gz NKMFZKKUCSPQEG-LRDDRELGSA-N 1 1 351.403 2.289 20 5 FEBDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189410029 328146393 /nfs/dbraw/zinc/14/63/93/328146393.db2.gz KRUQUZJFINKNAM-ZDUSSCGKSA-N 1 1 356.382 2.042 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000189410029 328146395 /nfs/dbraw/zinc/14/63/95/328146395.db2.gz KRUQUZJFINKNAM-ZDUSSCGKSA-N 1 1 356.382 2.042 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000189442818 328148491 /nfs/dbraw/zinc/14/84/91/328148491.db2.gz RQTXIDLABLVWRB-ZDUSSCGKSA-N 1 1 354.426 2.428 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000190007654 328181958 /nfs/dbraw/zinc/18/19/58/328181958.db2.gz QPRGCFQFURTXBC-KGLIPLIRSA-N 1 1 355.460 2.315 20 5 FEBDMO O=C1C[C@H]([NH+]2CCC([C@@H]3CCCO3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000190079834 328186320 /nfs/dbraw/zinc/18/63/20/328186320.db2.gz HRBZKDXPTNMDHQ-IRXDYDNUSA-N 1 1 373.409 2.118 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000190346866 328201588 /nfs/dbraw/zinc/20/15/88/328201588.db2.gz VDTXMRBXDQETLM-LSDHHAIUSA-N 1 1 374.441 2.235 20 5 FEBDMO CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000192468322 328320474 /nfs/dbraw/zinc/32/04/74/328320474.db2.gz JDZFYGVNSMHKST-IYBDPMFKSA-N 1 1 372.469 2.465 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000192804985 328340638 /nfs/dbraw/zinc/34/06/38/328340638.db2.gz OKGIFHMYDWNWDB-LJQANCHMSA-N 1 1 373.457 2.193 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000194607900 328432025 /nfs/dbraw/zinc/43/20/25/328432025.db2.gz HAZQDHYWLCAPAC-UHFFFAOYSA-N 1 1 370.409 2.060 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000090460743 325359009 /nfs/dbraw/zinc/35/90/09/325359009.db2.gz ZQZCMTZBZYZZPA-OLZOCXBDSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000090460743 325359010 /nfs/dbraw/zinc/35/90/10/325359010.db2.gz ZQZCMTZBZYZZPA-OLZOCXBDSA-N 1 1 353.806 2.231 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000090551953 325363158 /nfs/dbraw/zinc/36/31/58/325363158.db2.gz MZCNJYPBOIQTSW-UKRRQHHQSA-N 1 1 363.439 2.406 20 5 FEBDMO COCCCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000091102130 325374888 /nfs/dbraw/zinc/37/48/88/325374888.db2.gz HQQJCLDSSKCRRI-AWEZNQCLSA-N 1 1 353.419 2.215 20 5 FEBDMO COCCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000091102130 325374889 /nfs/dbraw/zinc/37/48/89/325374889.db2.gz HQQJCLDSSKCRRI-AWEZNQCLSA-N 1 1 353.419 2.215 20 5 FEBDMO CSc1ccc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000114373489 325886018 /nfs/dbraw/zinc/88/60/18/325886018.db2.gz AYOSTIFNCSOMJY-LBPRGKRZSA-N 1 1 353.444 2.157 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000119061677 326122951 /nfs/dbraw/zinc/12/29/51/326122951.db2.gz XIOFQZOUIPXMLS-CQSZACIVSA-N 1 1 370.475 2.165 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c1 ZINC000119446210 326163247 /nfs/dbraw/zinc/16/32/47/326163247.db2.gz CMZZOSWLZAMXMP-ZDUSSCGKSA-N 1 1 363.414 2.089 20 5 FEBDMO COc1cc(OCC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000119545198 326173968 /nfs/dbraw/zinc/17/39/68/326173968.db2.gz IIXFYPQJRJJFJR-CQSZACIVSA-N 1 1 365.430 2.076 20 5 FEBDMO C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000119641766 326183389 /nfs/dbraw/zinc/18/33/89/326183389.db2.gz ORNMBVSVQUERMR-CQSZACIVSA-N 1 1 358.398 2.128 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000119886562 326208956 /nfs/dbraw/zinc/20/89/56/326208956.db2.gz QASCPUQUNVBNJP-QGZVFWFLSA-N 1 1 369.421 2.052 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120350230 326251691 /nfs/dbraw/zinc/25/16/91/326251691.db2.gz LGYHHCTVWAPPSO-VUCTXSBTSA-N 1 1 363.414 2.287 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000121762522 326364834 /nfs/dbraw/zinc/36/48/34/326364834.db2.gz OPFRNMQMPLKHHR-HIFRSBDPSA-N 1 1 365.455 2.232 20 5 FEBDMO Cc1c(CC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cccc1[N+](=O)[O-] ZINC000121886589 326373930 /nfs/dbraw/zinc/37/39/30/326373930.db2.gz ZFCOMQMGOVHXCT-AWEZNQCLSA-N 1 1 361.442 2.157 20 5 FEBDMO COC(=O)C1=NOC2(C1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000161329385 326995913 /nfs/dbraw/zinc/99/59/13/326995913.db2.gz AHTXSWBNJNVRRL-UHFFFAOYSA-N 1 1 351.334 2.018 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)n2)c1 ZINC000171378512 327135679 /nfs/dbraw/zinc/13/56/79/327135679.db2.gz GAMQKKFDLLWPDL-ZDUSSCGKSA-N 1 1 360.370 2.230 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](C4OCCO4)C3)n2)c1 ZINC000171378512 327135680 /nfs/dbraw/zinc/13/56/80/327135680.db2.gz GAMQKKFDLLWPDL-ZDUSSCGKSA-N 1 1 360.370 2.230 20 5 FEBDMO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000172015677 327176382 /nfs/dbraw/zinc/17/63/82/327176382.db2.gz QGUWNQCXJKUJEQ-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000172505589 327204422 /nfs/dbraw/zinc/20/44/22/327204422.db2.gz MURAKOZFTAZCJJ-OAHLLOKOSA-N 1 1 355.822 2.335 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172604012 327210707 /nfs/dbraw/zinc/21/07/07/327210707.db2.gz ASZBMNZFCDRGQW-HIFRSBDPSA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@H]1C[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000173273529 327246000 /nfs/dbraw/zinc/24/60/00/327246000.db2.gz BBYXBYIHDGRJLQ-QWRGUYRKSA-N 1 1 361.851 2.351 20 5 FEBDMO COc1ccc(C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C2CC2)cc1 ZINC000173561393 327266504 /nfs/dbraw/zinc/26/65/04/327266504.db2.gz FRALGKSEIYXKNM-KSSFIOAISA-N 1 1 374.441 2.462 20 5 FEBDMO COc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000173668148 327275229 /nfs/dbraw/zinc/27/52/29/327275229.db2.gz AGFLRVMXFAMOCD-CYBMUJFWSA-N 1 1 371.459 2.098 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000173952155 327297058 /nfs/dbraw/zinc/29/70/58/327297058.db2.gz LNEASLYBGFSGJQ-OAHLLOKOSA-N 1 1 355.460 2.088 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173955771 327297585 /nfs/dbraw/zinc/29/75/85/327297585.db2.gz VENCNZXVNWVJEQ-CQSZACIVSA-N 1 1 355.460 2.256 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000174512589 327331822 /nfs/dbraw/zinc/33/18/22/327331822.db2.gz UYWRWQDTSRFNRC-GFCCVEGCSA-N 1 1 350.375 2.225 20 5 FEBDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174708299 327344706 /nfs/dbraw/zinc/34/47/06/327344706.db2.gz LMEVEQFVHJRTFR-YPMHNXCESA-N 1 1 361.427 2.455 20 5 FEBDMO C[N@H+](Cc1ccccc1OC(F)(F)F)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174715936 327345546 /nfs/dbraw/zinc/34/55/46/327345546.db2.gz GUWJJPHHFVRIIL-CYBMUJFWSA-N 1 1 374.319 2.183 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCN(c2ccccn2)CC1 ZINC000174881610 327357457 /nfs/dbraw/zinc/35/74/57/327357457.db2.gz XTOWVOQTFGLBNF-UHFFFAOYSA-N 1 1 358.446 2.425 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264315949 329009610 /nfs/dbraw/zinc/00/96/10/329009610.db2.gz OZSCYZGIJQWEMV-OAHLLOKOSA-N 1 1 369.425 2.065 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1 ZINC000264746612 329056113 /nfs/dbraw/zinc/05/61/13/329056113.db2.gz LAISHBFONYVQAX-UHFFFAOYSA-N 1 1 366.487 2.026 20 5 FEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920583 329172723 /nfs/dbraw/zinc/17/27/23/329172723.db2.gz CAQIJLIYKIAPRA-YPMHNXCESA-N 1 1 351.403 2.167 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266285559 329207925 /nfs/dbraw/zinc/20/79/25/329207925.db2.gz KPEGGJJRXYLBKA-GFCCVEGCSA-N 1 1 359.423 2.229 20 5 FEBDMO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1n[nH]c(C)c1[N+](=O)[O-] ZINC000267863470 329363964 /nfs/dbraw/zinc/36/39/64/329363964.db2.gz SPXXFCQCSNBVDV-UHFFFAOYSA-N 1 1 365.356 2.363 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268072864 329382559 /nfs/dbraw/zinc/38/25/59/329382559.db2.gz FQYZYFVCLBNCQS-UHFFFAOYSA-N 1 1 358.826 2.016 20 5 FEBDMO C[C@H](CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl)C[NH+]1CCOCC1 ZINC000268098852 329384681 /nfs/dbraw/zinc/38/46/81/329384681.db2.gz MSXVYEIOJIQLIO-GFCCVEGCSA-N 1 1 370.837 2.016 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000275795814 330090263 /nfs/dbraw/zinc/09/02/63/330090263.db2.gz TURWIMXQHKSOBX-UHFFFAOYSA-N 1 1 366.418 2.178 20 5 FEBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000367078664 330214289 /nfs/dbraw/zinc/21/42/89/330214289.db2.gz CYTBQISXUPQEDK-LRDDRELGSA-N 1 1 374.397 2.478 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000367078664 330214290 /nfs/dbraw/zinc/21/42/90/330214290.db2.gz CYTBQISXUPQEDK-LRDDRELGSA-N 1 1 374.397 2.478 20 5 FEBDMO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375785032 330250924 /nfs/dbraw/zinc/25/09/24/330250924.db2.gz AHRJUBHEVJUNPC-JKSUJKDBSA-N 1 1 363.414 2.464 20 5 FEBDMO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375785032 330250927 /nfs/dbraw/zinc/25/09/27/330250927.db2.gz AHRJUBHEVJUNPC-JKSUJKDBSA-N 1 1 363.414 2.464 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C2CC(OCC)C2)c([N+](=O)[O-])c1 ZINC000554282556 674310753 /nfs/dbraw/zinc/31/07/53/674310753.db2.gz AFAWYMAWXWPNDS-UHFFFAOYSA-N 1 1 351.403 2.431 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)C2CC(OCC)C2)c([N+](=O)[O-])c1 ZINC000554282556 674310754 /nfs/dbraw/zinc/31/07/54/674310754.db2.gz AFAWYMAWXWPNDS-UHFFFAOYSA-N 1 1 351.403 2.431 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359895383 526577149 /nfs/dbraw/zinc/57/71/49/526577149.db2.gz HTHDOXISAHZRCZ-QZTJIDSGSA-N 1 1 374.441 2.317 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359895383 526577153 /nfs/dbraw/zinc/57/71/53/526577153.db2.gz HTHDOXISAHZRCZ-QZTJIDSGSA-N 1 1 374.441 2.317 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC[C@@H]21 ZINC000155535642 545538933 /nfs/dbraw/zinc/53/89/33/545538933.db2.gz ASTXOAVSQOWLIL-KSSFIOAISA-N 1 1 369.425 2.337 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)CC[C@@H]21 ZINC000155535759 545539706 /nfs/dbraw/zinc/53/97/06/545539706.db2.gz ASTXOAVSQOWLIL-KDOFPFPSSA-N 1 1 369.425 2.337 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(Cn4ccnn4)CC3)n2)cc1 ZINC000156069816 545596173 /nfs/dbraw/zinc/59/61/73/545596173.db2.gz GRAICGJRGLEPET-UHFFFAOYSA-N 1 1 369.385 2.149 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000156509754 545631969 /nfs/dbraw/zinc/63/19/69/545631969.db2.gz RTMMBYPWFZYXQZ-UHFFFAOYSA-N 1 1 357.414 2.338 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000156641300 545642388 /nfs/dbraw/zinc/64/23/88/545642388.db2.gz XUIWGSFLUGDNSF-BBRMVZONSA-N 1 1 354.410 2.427 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000156710887 545651203 /nfs/dbraw/zinc/65/12/03/545651203.db2.gz YPBOLJVPOGGKNR-UHFFFAOYSA-N 1 1 372.425 2.326 20 5 FEBDMO C[C@@H](O)C[C@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156931332 545678809 /nfs/dbraw/zinc/67/88/09/545678809.db2.gz BQNJEFTWONICKD-CJNGLKHVSA-N 1 1 361.398 2.264 20 5 FEBDMO C[C@@H](O)C[C@H]1COCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156931332 545678816 /nfs/dbraw/zinc/67/88/16/545678816.db2.gz BQNJEFTWONICKD-CJNGLKHVSA-N 1 1 361.398 2.264 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159547587 545962736 /nfs/dbraw/zinc/96/27/36/545962736.db2.gz RSSSIKWNZHJXIY-MKBNYLNASA-N 1 1 351.403 2.023 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[N@H+]1C1CC1 ZINC000177094513 546543754 /nfs/dbraw/zinc/54/37/54/546543754.db2.gz NIALHKMTZBCBHD-TZMCWYRMSA-N 1 1 355.398 2.136 20 5 FEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000177096605 546543762 /nfs/dbraw/zinc/54/37/62/546543762.db2.gz ZKRKKNPZRWQYJW-GFCCVEGCSA-N 1 1 356.810 2.169 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[N@H+]1C1CC1 ZINC000177142624 546553346 /nfs/dbraw/zinc/55/33/46/546553346.db2.gz KTDXFAVYKSMJFE-STQMWFEESA-N 1 1 355.398 2.136 20 5 FEBDMO CCOc1cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161190 546558487 /nfs/dbraw/zinc/55/84/87/546558487.db2.gz WEECYGFNDQZOPH-NWDGAFQWSA-N 1 1 363.414 2.357 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000177205898 546569744 /nfs/dbraw/zinc/56/97/44/546569744.db2.gz DVBYBEWPPVXCAJ-VXGBXAGGSA-N 1 1 363.414 2.357 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177318984 546593063 /nfs/dbraw/zinc/59/30/63/546593063.db2.gz GEOTZDWCMPRNBE-WBVHZDCISA-N 1 1 358.442 2.043 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177345545 546597503 /nfs/dbraw/zinc/59/75/03/546597503.db2.gz YUBIKGYYEJPBAY-UHFFFAOYSA-N 1 1 374.235 2.055 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000177721120 546673523 /nfs/dbraw/zinc/67/35/23/546673523.db2.gz GDOWBRSXHWQTRQ-KRWDZBQOSA-N 1 1 368.393 2.471 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000179049712 546891831 /nfs/dbraw/zinc/89/18/31/546891831.db2.gz SWDGTFCKWPAVEB-UHFFFAOYSA-N 1 1 352.416 2.119 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000180640792 547148475 /nfs/dbraw/zinc/14/84/75/547148475.db2.gz BWEPXNHRCJGZKF-UHFFFAOYSA-N 1 1 354.410 2.355 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182239327 547458965 /nfs/dbraw/zinc/45/89/65/547458965.db2.gz KIBNUNCLWSWCFB-ZDUSSCGKSA-N 1 1 362.430 2.112 20 5 FEBDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000484307145 561295895 /nfs/dbraw/zinc/29/58/95/561295895.db2.gz KSIWQUBTHARMSR-IBGZPJMESA-N 1 1 372.425 2.432 20 5 FEBDMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000484307145 561295896 /nfs/dbraw/zinc/29/58/96/561295896.db2.gz KSIWQUBTHARMSR-IBGZPJMESA-N 1 1 372.425 2.432 20 5 FEBDMO C[C@H](C(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000183525722 547675333 /nfs/dbraw/zinc/67/53/33/547675333.db2.gz WLZVOSRCSBUUIY-ZDUSSCGKSA-N 1 1 367.421 2.143 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183785204 547719617 /nfs/dbraw/zinc/71/96/17/547719617.db2.gz CEEPIXLAPJUJML-CYBMUJFWSA-N 1 1 370.475 2.309 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000183897663 547736227 /nfs/dbraw/zinc/73/62/27/547736227.db2.gz YWFFUXDUFQPGRF-LLVKDONJSA-N 1 1 371.319 2.369 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184673697 547863522 /nfs/dbraw/zinc/86/35/22/547863522.db2.gz JPYPHDXPGOPQFP-UHFFFAOYSA-N 1 1 358.826 2.016 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184982288 547912268 /nfs/dbraw/zinc/91/22/68/547912268.db2.gz FRPHTFZRIOAMSF-ZDUSSCGKSA-N 1 1 373.450 2.395 20 5 FEBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(-c2cccc(F)c2)no1 ZINC000185103646 547934324 /nfs/dbraw/zinc/93/43/24/547934324.db2.gz KRMVUNYLIQGRCW-LLVKDONJSA-N 1 1 373.344 2.296 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000185181269 547948018 /nfs/dbraw/zinc/94/80/18/547948018.db2.gz YIVKLQGCJJASKI-BBRMVZONSA-N 1 1 354.410 2.427 20 5 FEBDMO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485561258 561322545 /nfs/dbraw/zinc/32/25/45/561322545.db2.gz SMBLNVCHBNJQCA-JQWIXIFHSA-N 1 1 374.363 2.339 20 5 FEBDMO CCN1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C(C)(C)C1=O ZINC000186579582 548154331 /nfs/dbraw/zinc/15/43/31/548154331.db2.gz RBDHIFYQUAEDLE-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO CCN1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C(C)(C)C1=O ZINC000186579582 548154332 /nfs/dbraw/zinc/15/43/32/548154332.db2.gz RBDHIFYQUAEDLE-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO CCOC(=O)c1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000186815280 548199084 /nfs/dbraw/zinc/19/90/84/548199084.db2.gz KVLOFFJEWHSUJO-CYBMUJFWSA-N 1 1 365.430 2.053 20 5 FEBDMO C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000186929430 548220818 /nfs/dbraw/zinc/22/08/18/548220818.db2.gz PKWSAYDSQYPTGG-OLZOCXBDSA-N 1 1 367.421 2.141 20 5 FEBDMO CC[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000193989548 548417961 /nfs/dbraw/zinc/41/79/61/548417961.db2.gz VLGISGWEUJXKPZ-INIZCTEOSA-N 1 1 370.409 2.432 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000194487456 548489982 /nfs/dbraw/zinc/48/99/82/548489982.db2.gz RVJXIXONPIXPPQ-OKILXGFUSA-N 1 1 364.446 2.282 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000194487456 548489984 /nfs/dbraw/zinc/48/99/84/548489984.db2.gz RVJXIXONPIXPPQ-OKILXGFUSA-N 1 1 364.446 2.282 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])cnc2C)cn1 ZINC000194793175 548532058 /nfs/dbraw/zinc/53/20/58/548532058.db2.gz PVJIKUIJYMMBEA-UHFFFAOYSA-N 1 1 352.354 2.117 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000194961537 548556442 /nfs/dbraw/zinc/55/64/42/548556442.db2.gz LMUZBNSJNSZMCJ-IAGOWNOFSA-N 1 1 369.421 2.268 20 5 FEBDMO COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486891645 561359060 /nfs/dbraw/zinc/35/90/60/561359060.db2.gz DCRSIQIDBSZXLH-RYUDHWBXSA-N 1 1 364.402 2.246 20 5 FEBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245430325 548917761 /nfs/dbraw/zinc/91/77/61/548917761.db2.gz NMSOJASXCMJENR-GOEBONIOSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245430325 548917764 /nfs/dbraw/zinc/91/77/64/548917764.db2.gz NMSOJASXCMJENR-GOEBONIOSA-N 1 1 356.444 2.261 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000488020727 561381539 /nfs/dbraw/zinc/38/15/39/561381539.db2.gz BYPKQLZLYXXYTK-JYJNAYRXSA-N 1 1 352.431 2.472 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245657379 548967525 /nfs/dbraw/zinc/96/75/25/548967525.db2.gz DXPYOIMAQNUIGH-CZUORRHYSA-N 1 1 369.425 2.212 20 5 FEBDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000245931432 549023085 /nfs/dbraw/zinc/02/30/85/549023085.db2.gz UYJZWSFGYLEWQG-HOTGVXAUSA-N 1 1 373.384 2.099 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246129063 549058279 /nfs/dbraw/zinc/05/82/79/549058279.db2.gz REOXSDDYRZLNPN-RHSMWYFYSA-N 1 1 357.414 2.434 20 5 FEBDMO COC(=O)c1cc(C)nc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488734733 561395600 /nfs/dbraw/zinc/39/56/00/561395600.db2.gz RPLHDSSHMGKVJI-YWPYICTPSA-N 1 1 362.430 2.251 20 5 FEBDMO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488729056 561395683 /nfs/dbraw/zinc/39/56/83/561395683.db2.gz CREUZOGNRHHNGU-XJKCOSOUSA-N 1 1 367.471 2.165 20 5 FEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488729056 561395684 /nfs/dbraw/zinc/39/56/84/561395684.db2.gz CREUZOGNRHHNGU-XJKCOSOUSA-N 1 1 367.471 2.165 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1C ZINC000246952844 549250445 /nfs/dbraw/zinc/25/04/45/549250445.db2.gz DEMVOHUDEJORMD-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO O=C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246983790 549256451 /nfs/dbraw/zinc/25/64/51/549256451.db2.gz WBLLTRQOKAHFFW-WMLDXEAASA-N 1 1 358.442 2.482 20 5 FEBDMO COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489020162 561401752 /nfs/dbraw/zinc/40/17/52/561401752.db2.gz XBXFKCIROPQXJJ-ZDUSSCGKSA-N 1 1 373.413 2.464 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000247312920 549315523 /nfs/dbraw/zinc/31/55/23/549315523.db2.gz FVTOGSXVWDDAIH-GOEBONIOSA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247315921 549316870 /nfs/dbraw/zinc/31/68/70/549316870.db2.gz RRCYKHQFGYOPAK-WMLDXEAASA-N 1 1 357.414 2.337 20 5 FEBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247315921 549316873 /nfs/dbraw/zinc/31/68/73/549316873.db2.gz RRCYKHQFGYOPAK-WMLDXEAASA-N 1 1 357.414 2.337 20 5 FEBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000247358505 549323479 /nfs/dbraw/zinc/32/34/79/549323479.db2.gz DLRBDCPNMSBTQX-UHFFFAOYSA-N 1 1 365.393 2.429 20 5 FEBDMO C[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000248458631 549443404 /nfs/dbraw/zinc/44/34/04/549443404.db2.gz NCJQHAJSCSQYQG-PKOBYXMFSA-N 1 1 371.437 2.323 20 5 FEBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248463936 549445776 /nfs/dbraw/zinc/44/57/76/549445776.db2.gz QTCIURUHDLSIER-HZPDHXFCSA-N 1 1 374.441 2.023 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000248750476 549496159 /nfs/dbraw/zinc/49/61/59/549496159.db2.gz UEOKFGGWHNJVHS-GUYCJALGSA-N 1 1 365.455 2.232 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000249144748 549560597 /nfs/dbraw/zinc/56/05/97/549560597.db2.gz ZWYSJLWFCFYQME-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000249536769 549602038 /nfs/dbraw/zinc/60/20/38/549602038.db2.gz CRYSSGCYSTVXFB-ZWNOBZJWSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000249536769 549602043 /nfs/dbraw/zinc/60/20/43/549602043.db2.gz CRYSSGCYSTVXFB-ZWNOBZJWSA-N 1 1 360.357 2.450 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249743917 549623856 /nfs/dbraw/zinc/62/38/56/549623856.db2.gz YVHXCJMKKXFJTK-UKRRQHHQSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249743917 549623859 /nfs/dbraw/zinc/62/38/59/549623859.db2.gz YVHXCJMKKXFJTK-UKRRQHHQSA-N 1 1 374.441 2.160 20 5 FEBDMO CCOc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000262050389 549783995 /nfs/dbraw/zinc/78/39/95/549783995.db2.gz UWYDESSOEJMXSR-INIZCTEOSA-N 1 1 356.382 2.175 20 5 FEBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000262103262 549788810 /nfs/dbraw/zinc/78/88/10/549788810.db2.gz ZLPDYHDYDBXIHO-KRWDZBQOSA-N 1 1 371.393 2.155 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000490439712 561433126 /nfs/dbraw/zinc/43/31/26/561433126.db2.gz CJHFFRXXNKVGAQ-CQSZACIVSA-N 1 1 367.471 2.398 20 5 FEBDMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@@H](C)O1 ZINC000490446661 561433278 /nfs/dbraw/zinc/43/32/78/561433278.db2.gz BXNZJNKTRMDTNA-SPYBWZPUSA-N 1 1 363.458 2.029 20 5 FEBDMO Cc1cnc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000491320796 561444741 /nfs/dbraw/zinc/44/47/41/561444741.db2.gz HLYCLCRVSMHUTI-LJQANCHMSA-N 1 1 356.426 2.371 20 5 FEBDMO Cc1cc(N2CCC(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)CC2)nc(C)n1 ZINC000269135180 550159062 /nfs/dbraw/zinc/15/90/62/550159062.db2.gz CSCXZMKUGDVWNQ-UHFFFAOYSA-N 1 1 371.397 2.106 20 5 FEBDMO CC(C)N1CC[NH+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000270875799 550316302 /nfs/dbraw/zinc/31/63/02/550316302.db2.gz JQPWTSHWKMYBIR-UHFFFAOYSA-N 1 1 360.458 2.225 20 5 FEBDMO Cc1ccc(C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000271247799 550357447 /nfs/dbraw/zinc/35/74/47/550357447.db2.gz HLNDLKNDDDJGAT-AWEZNQCLSA-N 1 1 367.413 2.052 20 5 FEBDMO Cc1ccc(C[N@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000271247799 550357449 /nfs/dbraw/zinc/35/74/49/550357449.db2.gz HLNDLKNDDDJGAT-AWEZNQCLSA-N 1 1 367.413 2.052 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000271326524 550364837 /nfs/dbraw/zinc/36/48/37/550364837.db2.gz AGMOMMJFAITZHS-UHFFFAOYSA-N 1 1 357.414 2.065 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000271326524 550364839 /nfs/dbraw/zinc/36/48/39/550364839.db2.gz AGMOMMJFAITZHS-UHFFFAOYSA-N 1 1 357.414 2.065 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000271433937 550375016 /nfs/dbraw/zinc/37/50/16/550375016.db2.gz SCITVNPMFGOUJG-GOEBONIOSA-N 1 1 371.441 2.453 20 5 FEBDMO C[C@H](C(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-])[NH+]1CCSCC1 ZINC000272261442 550432142 /nfs/dbraw/zinc/43/21/42/550432142.db2.gz JKGOZXZBQLNYJL-LLVKDONJSA-N 1 1 357.863 2.344 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000272262674 550432454 /nfs/dbraw/zinc/43/24/54/550432454.db2.gz AVIMHEJZYXSGQR-MEDUHNTESA-N 1 1 356.382 2.015 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000272298048 550435617 /nfs/dbraw/zinc/43/56/17/550435617.db2.gz IGKVPHSMDTUHOV-UONOGXRCSA-N 1 1 355.460 2.225 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272557204 550457811 /nfs/dbraw/zinc/45/78/11/550457811.db2.gz SIJVDFXLWDBLIR-HNNXBMFYSA-N 1 1 357.414 2.053 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CCCO)Cc1ccccc1 ZINC000273278223 550492698 /nfs/dbraw/zinc/49/26/98/550492698.db2.gz CXGCYHFKLCVBNX-QGZVFWFLSA-N 1 1 360.410 2.219 20 5 FEBDMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000274511410 550541511 /nfs/dbraw/zinc/54/15/11/550541511.db2.gz XOWOTPACIJDXCO-CYBMUJFWSA-N 1 1 360.414 2.097 20 5 FEBDMO CCOc1cc(C[N@@H+](CCO)CCOCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000276828527 550600538 /nfs/dbraw/zinc/60/05/38/550600538.db2.gz ATKBGKVORYKNNH-UHFFFAOYSA-N 1 1 366.336 2.367 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000277511486 550679471 /nfs/dbraw/zinc/67/94/71/550679471.db2.gz QCHCJRCWNMLAEG-CYBMUJFWSA-N 1 1 366.418 2.226 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCO1 ZINC000277709322 550704691 /nfs/dbraw/zinc/70/46/91/550704691.db2.gz WNLYEZIXOMVPSC-GFCCVEGCSA-N 1 1 355.822 2.479 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277733773 550707926 /nfs/dbraw/zinc/70/79/26/550707926.db2.gz OHJFJZVUQFIQLR-QWHCGFSZSA-N 1 1 374.445 2.391 20 5 FEBDMO CS(=O)(=O)[C@H]1CCCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000277808129 550716308 /nfs/dbraw/zinc/71/63/08/550716308.db2.gz PWEFCDGQGNWQHJ-INIZCTEOSA-N 1 1 356.444 2.263 20 5 FEBDMO CS(=O)(=O)[C@H]1CCCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000277808129 550716310 /nfs/dbraw/zinc/71/63/10/550716310.db2.gz PWEFCDGQGNWQHJ-INIZCTEOSA-N 1 1 356.444 2.263 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277946032 550731717 /nfs/dbraw/zinc/73/17/17/550731717.db2.gz CJUHPAQQYPDDCC-CYBMUJFWSA-N 1 1 374.445 2.248 20 5 FEBDMO COCCSCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000278496340 550792588 /nfs/dbraw/zinc/79/25/88/550792588.db2.gz KHNQUFRRCGUAFK-UHFFFAOYSA-N 1 1 367.471 2.122 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000279409598 550886897 /nfs/dbraw/zinc/88/68/97/550886897.db2.gz LXCHQBCUISCBHK-UHFFFAOYSA-N 1 1 352.391 2.046 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000279409598 550886898 /nfs/dbraw/zinc/88/68/98/550886898.db2.gz LXCHQBCUISCBHK-UHFFFAOYSA-N 1 1 352.391 2.046 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+](C)C2(CCO)CCOCC2)cccc1[N+](=O)[O-] ZINC000495445503 561488122 /nfs/dbraw/zinc/48/81/22/561488122.db2.gz WPDJKWCKBOEIOA-UHFFFAOYSA-N 1 1 365.430 2.095 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000280337138 550982452 /nfs/dbraw/zinc/98/24/52/550982452.db2.gz HNJCKNCIHNATEP-KBXCAEBGSA-N 1 1 363.414 2.112 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000496211829 561493143 /nfs/dbraw/zinc/49/31/43/561493143.db2.gz SYLRALPSSXLBBF-MRXNPFEDSA-N 1 1 371.441 2.455 20 5 FEBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000281270671 551079769 /nfs/dbraw/zinc/07/97/69/551079769.db2.gz WFCFNZCXIIEWRA-LBPRGKRZSA-N 1 1 361.851 2.353 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000281270671 551079770 /nfs/dbraw/zinc/07/97/70/551079770.db2.gz WFCFNZCXIIEWRA-LBPRGKRZSA-N 1 1 361.851 2.353 20 5 FEBDMO CN(CCC[NH+]1CCCC1)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000281486885 551103658 /nfs/dbraw/zinc/10/36/58/551103658.db2.gz XBQUTQAJBKTBMJ-UHFFFAOYSA-N 1 1 352.410 2.480 20 5 FEBDMO COC(=O)[C@]1(C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000282450901 551231214 /nfs/dbraw/zinc/23/12/14/551231214.db2.gz FJXJVAZBMMTDSD-PIGZYNQJSA-N 1 1 367.377 2.194 20 5 FEBDMO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000282478888 551234796 /nfs/dbraw/zinc/23/47/96/551234796.db2.gz LMGJGIHEKZZXJK-SFHVURJKSA-N 1 1 361.442 2.239 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CCOCC2)CC1 ZINC000283995730 551464365 /nfs/dbraw/zinc/46/43/65/551464365.db2.gz DGTNHHXYLRQDHO-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000284855056 551651117 /nfs/dbraw/zinc/65/11/17/551651117.db2.gz LVMSYSCTUUIORC-XJKSGUPXSA-N 1 1 361.450 2.348 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000498566278 561528709 /nfs/dbraw/zinc/52/87/09/561528709.db2.gz DQFWDDXETAGUKE-VXGBXAGGSA-N 1 1 358.398 2.403 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C1 ZINC000284898286 551661962 /nfs/dbraw/zinc/66/19/62/551661962.db2.gz RRNOFBVWVNONRE-IAGOWNOFSA-N 1 1 372.425 2.197 20 5 FEBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285417462 551752970 /nfs/dbraw/zinc/75/29/70/551752970.db2.gz BRNMXFJRMWULDT-XHSDSOJGSA-N 1 1 352.431 2.350 20 5 FEBDMO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285508401 551767407 /nfs/dbraw/zinc/76/74/07/551767407.db2.gz NUOBKRLAFGDXCM-CVEARBPZSA-N 1 1 351.403 2.181 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286031196 551840571 /nfs/dbraw/zinc/84/05/71/551840571.db2.gz QJMKXHIBTZHMAV-CEXWTWQISA-N 1 1 369.421 2.261 20 5 FEBDMO CN(C)CC[NH+]1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286101956 551848784 /nfs/dbraw/zinc/84/87/84/551848784.db2.gz LCXUXVGKDWHYAM-UHFFFAOYSA-N 1 1 350.448 2.037 20 5 FEBDMO Nc1nc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ncc1[N+](=O)[O-] ZINC000286497001 551892816 /nfs/dbraw/zinc/89/28/16/551892816.db2.gz XUZPEEWLZRXIFP-GOSISDBHSA-N 1 1 354.414 2.069 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000500115677 561566307 /nfs/dbraw/zinc/56/63/07/561566307.db2.gz SJQWLOXBMKXWEH-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)C[NH+]1CCOCC1 ZINC000289847141 552388457 /nfs/dbraw/zinc/38/84/57/552388457.db2.gz XRMBDJMHXXKEFR-NSHDSACASA-N 1 1 356.810 2.338 20 5 FEBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCN1CCCS1(=O)=O ZINC000290990756 552573109 /nfs/dbraw/zinc/57/31/09/552573109.db2.gz ZTHNCZOBKDCNIU-UHFFFAOYSA-N 1 1 368.242 2.027 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291085025 552585393 /nfs/dbraw/zinc/58/53/93/552585393.db2.gz HBCSRJBXHBQBBG-CQSZACIVSA-N 1 1 353.423 2.026 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000292044683 552687823 /nfs/dbraw/zinc/68/78/23/552687823.db2.gz ZULRDIGVDLUQIT-AWEZNQCLSA-N 1 1 351.403 2.431 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292077171 552691385 /nfs/dbraw/zinc/69/13/85/552691385.db2.gz FHDCDPRKAZJLNG-HOTGVXAUSA-N 1 1 350.415 2.083 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C2)C1 ZINC000292083295 552691949 /nfs/dbraw/zinc/69/19/49/552691949.db2.gz CQUPDEDEIUXXRU-HXUWFJFHSA-N 1 1 372.469 2.365 20 5 FEBDMO C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+](C2CCC2)C1 ZINC000293760945 552853770 /nfs/dbraw/zinc/85/37/70/552853770.db2.gz UIXRPQLRESKVMG-LBPRGKRZSA-N 1 1 357.414 2.418 20 5 FEBDMO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@@H+](C2CCC2)C1 ZINC000293760945 552853771 /nfs/dbraw/zinc/85/37/71/552853771.db2.gz UIXRPQLRESKVMG-LBPRGKRZSA-N 1 1 357.414 2.418 20 5 FEBDMO C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[N@H+](C2CCC2)C1 ZINC000293760945 552853773 /nfs/dbraw/zinc/85/37/73/552853773.db2.gz UIXRPQLRESKVMG-LBPRGKRZSA-N 1 1 357.414 2.418 20 5 FEBDMO Cc1c(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000294223560 552889195 /nfs/dbraw/zinc/88/91/95/552889195.db2.gz RFNXKOKDRPWDPS-QGZVFWFLSA-N 1 1 362.386 2.369 20 5 FEBDMO Cc1ccc(C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000295191144 552968193 /nfs/dbraw/zinc/96/81/93/552968193.db2.gz XIQZHRJMGQSQSX-CQSZACIVSA-N 1 1 353.419 2.221 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295340366 552990469 /nfs/dbraw/zinc/99/04/69/552990469.db2.gz NLPYFVIDTBYLSU-YOGCLGLASA-N 1 1 373.862 2.460 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000502682834 561623423 /nfs/dbraw/zinc/62/34/23/561623423.db2.gz XFSJUJNJVJFJFU-AFAVFJNCSA-N 1 1 365.405 2.159 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000503561929 561644542 /nfs/dbraw/zinc/64/45/42/561644542.db2.gz HAYKGRDRKAUPAS-ZDUSSCGKSA-N 1 1 360.418 2.145 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000298722925 553464107 /nfs/dbraw/zinc/46/41/07/553464107.db2.gz BEUXQUGFEYYXEH-OAHLLOKOSA-N 1 1 374.441 2.283 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000299113049 553516905 /nfs/dbraw/zinc/51/69/05/553516905.db2.gz WUUYXYVDDODTFL-DLBZAZTESA-N 1 1 355.398 2.137 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000299429465 553562045 /nfs/dbraw/zinc/56/20/45/553562045.db2.gz XMAUJTZKMGUATO-GDBMZVCRSA-N 1 1 374.441 2.093 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301085683 553620204 /nfs/dbraw/zinc/62/02/04/553620204.db2.gz JEFJXODSSXEFGA-LLVKDONJSA-N 1 1 352.391 2.448 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1 ZINC000301274870 553638138 /nfs/dbraw/zinc/63/81/38/553638138.db2.gz IPEPHTQDCUGPCK-OAHLLOKOSA-N 1 1 355.442 2.359 20 5 FEBDMO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+]1CCc2ccccc2C1 ZINC000301922557 553692168 /nfs/dbraw/zinc/69/21/68/553692168.db2.gz LJMHEWYCGYYGAV-CYBMUJFWSA-N 1 1 352.398 2.496 20 5 FEBDMO CCOc1cc(C(=O)NCC[N@@H+]2CC=C(C)CC2)c([N+](=O)[O-])cc1OC ZINC000506653319 561705042 /nfs/dbraw/zinc/70/50/42/561705042.db2.gz JTGMWSQMYZYRRD-UHFFFAOYSA-N 1 1 363.414 2.384 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330600854 554143903 /nfs/dbraw/zinc/14/39/03/554143903.db2.gz GAWUBKJXZYHCQV-ZJUUUORDSA-N 1 1 373.356 2.369 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330600854 554143904 /nfs/dbraw/zinc/14/39/04/554143904.db2.gz GAWUBKJXZYHCQV-ZJUUUORDSA-N 1 1 373.356 2.369 20 5 FEBDMO Cc1nn(Cc2ccc(C(=O)N3CC[N@@H+](C)C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000330673490 554155597 /nfs/dbraw/zinc/15/55/97/554155597.db2.gz PILPPPVMCNVXES-ZDUSSCGKSA-N 1 1 371.441 2.233 20 5 FEBDMO Cc1nn(Cc2ccc(C(=O)N3CC[N@H+](C)C[C@@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000330673490 554155599 /nfs/dbraw/zinc/15/55/99/554155599.db2.gz PILPPPVMCNVXES-ZDUSSCGKSA-N 1 1 371.441 2.233 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000331450526 554266858 /nfs/dbraw/zinc/26/68/58/554266858.db2.gz FOUFBFMXNCWDQX-YMTOWFKASA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000331450526 554266859 /nfs/dbraw/zinc/26/68/59/554266859.db2.gz FOUFBFMXNCWDQX-YMTOWFKASA-N 1 1 373.862 2.318 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028472 554366141 /nfs/dbraw/zinc/36/61/41/554366141.db2.gz JGJVTEGGZKFQJL-HOCLYGCPSA-N 1 1 360.458 2.289 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332226161 554405141 /nfs/dbraw/zinc/40/51/41/554405141.db2.gz ODWHJPNIYSRGBH-MRXNPFEDSA-N 1 1 358.398 2.261 20 5 FEBDMO C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C[C@H](C)O1 ZINC000332461709 554450114 /nfs/dbraw/zinc/45/01/14/554450114.db2.gz JLWIYNRKAQEHFB-OKILXGFUSA-N 1 1 364.446 2.274 20 5 FEBDMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000332520296 554461745 /nfs/dbraw/zinc/46/17/45/554461745.db2.gz YWDOUJVGQBSOIT-ZBFHGGJFSA-N 1 1 367.471 2.026 20 5 FEBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000332520296 554461746 /nfs/dbraw/zinc/46/17/46/554461746.db2.gz YWDOUJVGQBSOIT-ZBFHGGJFSA-N 1 1 367.471 2.026 20 5 FEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC000510097992 561824785 /nfs/dbraw/zinc/82/47/85/561824785.db2.gz HXSDKQYYBWREFW-NSHDSACASA-N 1 1 372.219 2.407 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCCOC1 ZINC000510097992 561824787 /nfs/dbraw/zinc/82/47/87/561824787.db2.gz HXSDKQYYBWREFW-NSHDSACASA-N 1 1 372.219 2.407 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000361071856 554903200 /nfs/dbraw/zinc/90/32/00/554903200.db2.gz YWKFZXLWTVJMDW-VIFPVBQESA-N 1 1 352.192 2.480 20 5 FEBDMO CC[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000361680778 554928482 /nfs/dbraw/zinc/92/84/82/554928482.db2.gz GQAYUKGHLKWLDK-ZIEDNJRCSA-N 1 1 359.426 2.177 20 5 FEBDMO CC[C@@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000361680776 554928519 /nfs/dbraw/zinc/92/85/19/554928519.db2.gz GQAYUKGHLKWLDK-FKUVRRMFSA-N 1 1 359.426 2.177 20 5 FEBDMO CNC(=O)c1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000361813543 554936215 /nfs/dbraw/zinc/93/62/15/554936215.db2.gz MEFJGFVNTDYXAT-HOCLYGCPSA-N 1 1 362.430 2.010 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000362061378 554946897 /nfs/dbraw/zinc/94/68/97/554946897.db2.gz JTUXNCJVYWHDLY-QWHCGFSZSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000362061378 554946899 /nfs/dbraw/zinc/94/68/99/554946899.db2.gz JTUXNCJVYWHDLY-QWHCGFSZSA-N 1 1 353.806 2.231 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000362741485 554986075 /nfs/dbraw/zinc/98/60/75/554986075.db2.gz MWKOKZCVFZSGHF-CYBMUJFWSA-N 1 1 355.398 2.214 20 5 FEBDMO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000363058790 555020832 /nfs/dbraw/zinc/02/08/32/555020832.db2.gz WJVZBTSVIBPTTQ-QPJJXVBHSA-N 1 1 359.426 2.321 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363086986 555027366 /nfs/dbraw/zinc/02/73/66/555027366.db2.gz QKJKMNNRXWKOMO-MRXNPFEDSA-N 1 1 371.441 2.279 20 5 FEBDMO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNCc1cccc([N+](=O)[O-])c1 ZINC000363532841 555130362 /nfs/dbraw/zinc/13/03/62/555130362.db2.gz DONQDRVMYUQKHU-UHFFFAOYSA-N 1 1 372.473 2.068 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363558485 555136979 /nfs/dbraw/zinc/13/69/79/555136979.db2.gz SAKFQFUUDMHFTR-NUEKZKHPSA-N 1 1 365.455 2.008 20 5 FEBDMO COC(=O)c1cn([C@@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)nn1 ZINC000363901235 555209969 /nfs/dbraw/zinc/20/99/69/555209969.db2.gz YVPOWFVLUWHBSY-GXTWGEPZSA-N 1 1 359.386 2.289 20 5 FEBDMO C[C@@H]1OCC[C@]12C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929027 555216263 /nfs/dbraw/zinc/21/62/63/555216263.db2.gz UQUUNPNGGRAEJF-GLJUWKHASA-N 1 1 363.414 2.192 20 5 FEBDMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000364074906 555245118 /nfs/dbraw/zinc/24/51/18/555245118.db2.gz USYKVIAEYBVAGB-OAHLLOKOSA-N 1 1 371.441 2.442 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364143941 555257888 /nfs/dbraw/zinc/25/78/88/555257888.db2.gz NZVKGXNORBXRBW-FYWRMAATSA-N 1 1 361.442 2.303 20 5 FEBDMO CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000364341605 555294953 /nfs/dbraw/zinc/29/49/53/555294953.db2.gz UKMCXWHZFHGRDF-HUUCEWRRSA-N 1 1 351.451 2.462 20 5 FEBDMO CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000364341605 555294955 /nfs/dbraw/zinc/29/49/55/555294955.db2.gz UKMCXWHZFHGRDF-HUUCEWRRSA-N 1 1 351.451 2.462 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000364553293 555336443 /nfs/dbraw/zinc/33/64/43/555336443.db2.gz CAPFYGRVCJISFX-KXBFYZLASA-N 1 1 369.425 2.211 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000364915899 555435961 /nfs/dbraw/zinc/43/59/61/555435961.db2.gz MVXBCWRZBYMXHE-KSSFIOAISA-N 1 1 369.425 2.337 20 5 FEBDMO O=C(C[NH+]1CCC(c2cnccn2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000364959622 555450612 /nfs/dbraw/zinc/45/06/12/555450612.db2.gz BXERUWYPAMPEKT-UHFFFAOYSA-N 1 1 367.409 2.154 20 5 FEBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](c1ccccc1)c1ccccn1 ZINC000365739112 555655962 /nfs/dbraw/zinc/65/59/62/555655962.db2.gz HHYLROSQFCJAQQ-MJGOQNOKSA-N 1 1 367.409 2.269 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cn1 ZINC000366185356 555774917 /nfs/dbraw/zinc/77/49/17/555774917.db2.gz RGVHJSBDZYBBTG-UHFFFAOYSA-N 1 1 370.344 2.135 20 5 FEBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@@H]12 ZINC000366478519 555855825 /nfs/dbraw/zinc/85/58/25/555855825.db2.gz FCCOHQOFPLFMNW-TZMCWYRMSA-N 1 1 371.418 2.418 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000366565353 555877138 /nfs/dbraw/zinc/87/71/38/555877138.db2.gz UQEFCFNDZHIOTA-DZGCQCFKSA-N 1 1 365.434 2.123 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCc2c[nH+]c3n2CCCC3)c1F ZINC000514920061 561986699 /nfs/dbraw/zinc/98/66/99/561986699.db2.gz CBSYKLOPQOAARJ-UHFFFAOYSA-N 1 1 362.361 2.134 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368003749 556192692 /nfs/dbraw/zinc/19/26/92/556192692.db2.gz AMFKCENGGLAWLH-KVSKMBFKSA-N 1 1 372.425 2.345 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3ncccc3C2)c([N+](=O)[O-])c1 ZINC000368336299 556280630 /nfs/dbraw/zinc/28/06/30/556280630.db2.gz MKCAPYIPMWERPG-UHFFFAOYSA-N 1 1 356.382 2.385 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@@H]21 ZINC000368594800 556357378 /nfs/dbraw/zinc/35/73/78/556357378.db2.gz XLTBHYVPQMSGHP-ZBEGNZNMSA-N 1 1 356.382 2.015 20 5 FEBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976427 556465382 /nfs/dbraw/zinc/46/53/82/556465382.db2.gz WGKZQPTZRZXLQD-SIIHOXLZSA-N 1 1 370.409 2.378 20 5 FEBDMO O=C1C[C@H]([N@@H+]2CC[C@@H](c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000369181441 556528041 /nfs/dbraw/zinc/52/80/41/556528041.db2.gz YOVSDOWXMZESHC-DOMZBBRYSA-N 1 1 355.350 2.309 20 5 FEBDMO O=C1C[C@H]([N@H+]2CC[C@@H](c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000369181441 556528043 /nfs/dbraw/zinc/52/80/43/556528043.db2.gz YOVSDOWXMZESHC-DOMZBBRYSA-N 1 1 355.350 2.309 20 5 FEBDMO Cc1cccc(NC2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC2)[nH+]1 ZINC000369577935 556636720 /nfs/dbraw/zinc/63/67/20/556636720.db2.gz RCOVMYUVPXDVGG-UHFFFAOYSA-N 1 1 357.370 2.116 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000369590378 556640646 /nfs/dbraw/zinc/64/06/46/556640646.db2.gz FUYIDDVCXORCQY-BMGDILEWSA-N 1 1 359.426 2.229 20 5 FEBDMO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1F)C1([NH+]2CCOCC2)CCCC1 ZINC000370141342 556791881 /nfs/dbraw/zinc/79/18/81/556791881.db2.gz GLHDIRYRFNILOI-CYBMUJFWSA-N 1 1 365.405 2.497 20 5 FEBDMO Cn1cc([C@H]2[C@@H](CNC(=O)c3csc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000370920075 557015941 /nfs/dbraw/zinc/01/59/41/557015941.db2.gz YVQFZRYJHALZKM-IAQYHMDHSA-N 1 1 363.443 2.203 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@@]2(CCSC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000517232726 562081409 /nfs/dbraw/zinc/08/14/09/562081409.db2.gz HTBQPMFSKZNWQW-INIZCTEOSA-N 1 1 351.428 2.131 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](Cc3cccc(Cl)c3)C2)c1 ZINC000371360886 557160126 /nfs/dbraw/zinc/16/01/26/557160126.db2.gz LDWVDLOJZCMZBC-PBHICJAKSA-N 1 1 364.833 2.370 20 5 FEBDMO Cc1ccc2c(c1)[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000517733065 562096622 /nfs/dbraw/zinc/09/66/22/562096622.db2.gz WVAWFQWVEUQTMG-MRXNPFEDSA-N 1 1 362.407 2.400 20 5 FEBDMO CC1(C)C[N@H+](C2(CNc3ncc([N+](=O)[O-])c(N)n3)CCCCC2)CCO1 ZINC000518705310 562116801 /nfs/dbraw/zinc/11/68/01/562116801.db2.gz RLAFJKPIIVNDBD-UHFFFAOYSA-N 1 1 364.450 2.193 20 5 FEBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000372107387 557381474 /nfs/dbraw/zinc/38/14/74/557381474.db2.gz IXTSWLUWUVQDBV-BRWVUGGUSA-N 1 1 369.425 2.242 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372157255 557394685 /nfs/dbraw/zinc/39/46/85/557394685.db2.gz RKIIKPKCQNPLNN-MELADBBJSA-N 1 1 363.414 2.289 20 5 FEBDMO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328932 557441054 /nfs/dbraw/zinc/44/10/54/557441054.db2.gz DJVXFYLMTQFEPT-HUUCEWRRSA-N 1 1 351.451 2.321 20 5 FEBDMO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328932 557441058 /nfs/dbraw/zinc/44/10/58/557441058.db2.gz DJVXFYLMTQFEPT-HUUCEWRRSA-N 1 1 351.451 2.321 20 5 FEBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000372333763 557442996 /nfs/dbraw/zinc/44/29/96/557442996.db2.gz PJALTZBXYPHPCW-DZGCQCFKSA-N 1 1 371.397 2.135 20 5 FEBDMO CCc1n[nH]c(C(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)c1[N+](=O)[O-] ZINC000372391360 557458614 /nfs/dbraw/zinc/45/86/14/557458614.db2.gz AXISOPOWCXZTHZ-LBPRGKRZSA-N 1 1 361.446 2.217 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)c1[N+](=O)[O-] ZINC000372391360 557458616 /nfs/dbraw/zinc/45/86/16/557458616.db2.gz AXISOPOWCXZTHZ-LBPRGKRZSA-N 1 1 361.446 2.217 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)c1[N+](=O)[O-] ZINC000372391360 557458618 /nfs/dbraw/zinc/45/86/18/557458618.db2.gz AXISOPOWCXZTHZ-LBPRGKRZSA-N 1 1 361.446 2.217 20 5 FEBDMO CC(C)NC(=O)C[N@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372391676 557458677 /nfs/dbraw/zinc/45/86/77/557458677.db2.gz MQEVKJWQQKLMAN-VMPITWQZSA-N 1 1 360.458 2.140 20 5 FEBDMO CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000372951332 557595333 /nfs/dbraw/zinc/59/53/33/557595333.db2.gz WGLZXLZKKJXXPE-JKSUJKDBSA-N 1 1 374.441 2.059 20 5 FEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCCN1c1cccnn1 ZINC000373201785 557648905 /nfs/dbraw/zinc/64/89/05/557648905.db2.gz FVEJLIFVXZVCMX-OAHLLOKOSA-N 1 1 372.385 2.394 20 5 FEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@H]1CCCN1c1cccnn1 ZINC000373201785 557648906 /nfs/dbraw/zinc/64/89/06/557648906.db2.gz FVEJLIFVXZVCMX-OAHLLOKOSA-N 1 1 372.385 2.394 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000373762554 557753776 /nfs/dbraw/zinc/75/37/76/557753776.db2.gz XAYHHVBONZEGDH-WBVHZDCISA-N 1 1 360.414 2.425 20 5 FEBDMO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1 ZINC000374258868 557853451 /nfs/dbraw/zinc/85/34/51/557853451.db2.gz MUTFUIVSCKKUPE-INIZCTEOSA-N 1 1 362.474 2.074 20 5 FEBDMO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C1CCN(C)CC1 ZINC000374258868 557853453 /nfs/dbraw/zinc/85/34/53/557853453.db2.gz MUTFUIVSCKKUPE-INIZCTEOSA-N 1 1 362.474 2.074 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000374359703 557871269 /nfs/dbraw/zinc/87/12/69/557871269.db2.gz ONBPRQBWUJEICE-CQSZACIVSA-N 1 1 363.414 2.290 20 5 FEBDMO O=C1[C@@H]([NH+]2CCC([C@H]3CCOC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374604963 557905605 /nfs/dbraw/zinc/90/56/05/557905605.db2.gz OOHFLYHSJQFVEA-YJBOKZPZSA-N 1 1 359.426 2.449 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374635071 557909875 /nfs/dbraw/zinc/90/98/75/557909875.db2.gz GBUIHBGYESOIQV-ZDUSSCGKSA-N 1 1 361.402 2.432 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]21 ZINC000375062042 557972100 /nfs/dbraw/zinc/97/21/00/557972100.db2.gz RVZFWQPKNNNBOI-HNAYVOBHSA-N 1 1 372.469 2.364 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1F ZINC000375224289 557994611 /nfs/dbraw/zinc/99/46/11/557994611.db2.gz YYSGAVVZNMCPSB-TZMCWYRMSA-N 1 1 351.378 2.025 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1F ZINC000375224289 557994612 /nfs/dbraw/zinc/99/46/12/557994612.db2.gz YYSGAVVZNMCPSB-TZMCWYRMSA-N 1 1 351.378 2.025 20 5 FEBDMO C[C@@H]1[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375241995 557997183 /nfs/dbraw/zinc/99/71/83/557997183.db2.gz MKTHLWKTPRTLCV-GJZGRUSLSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@H]1[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC12CCOCC2 ZINC000375245604 557997762 /nfs/dbraw/zinc/99/77/62/557997762.db2.gz NUIGEWPESJCSKR-CQSZACIVSA-N 1 1 359.426 2.375 20 5 FEBDMO Cc1nc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375761359 558078822 /nfs/dbraw/zinc/07/88/22/558078822.db2.gz GCBKEUNCLMTZHX-ZDUSSCGKSA-N 1 1 359.386 2.494 20 5 FEBDMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000375968708 558107130 /nfs/dbraw/zinc/10/71/30/558107130.db2.gz NNLIWZLPTPDGJK-CQSZACIVSA-N 1 1 357.414 2.399 20 5 FEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000521828492 562184291 /nfs/dbraw/zinc/18/42/91/562184291.db2.gz AYVRPYPWTCKTTD-SNVBAGLBSA-N 1 1 373.356 2.371 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000521828492 562184292 /nfs/dbraw/zinc/18/42/92/562184292.db2.gz AYVRPYPWTCKTTD-SNVBAGLBSA-N 1 1 373.356 2.371 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000376827317 558226472 /nfs/dbraw/zinc/22/64/72/558226472.db2.gz HUPCXXBULSDLAX-RHSMWYFYSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000376827317 558226474 /nfs/dbraw/zinc/22/64/74/558226474.db2.gz HUPCXXBULSDLAX-RHSMWYFYSA-N 1 1 358.373 2.491 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000376983040 558248023 /nfs/dbraw/zinc/24/80/23/558248023.db2.gz PSYKWQVOCRXDDK-DLBZAZTESA-N 1 1 355.394 2.431 20 5 FEBDMO CN1CCC[C@]2(CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)C1=O ZINC000377001284 558250220 /nfs/dbraw/zinc/25/02/20/558250220.db2.gz ZHUQUJGIXZQFIY-GOSISDBHSA-N 1 1 371.397 2.089 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000377221236 558292124 /nfs/dbraw/zinc/29/21/24/558292124.db2.gz CRBZUNGPDLVUBO-INIZCTEOSA-N 1 1 363.462 2.403 20 5 FEBDMO CCC[C@@]1(CO)CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377586037 558371367 /nfs/dbraw/zinc/37/13/67/558371367.db2.gz LUPVRLQFMHZWEK-GOSISDBHSA-N 1 1 365.430 2.417 20 5 FEBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522650438 562201063 /nfs/dbraw/zinc/20/10/63/562201063.db2.gz MUVPRTBEWWKNNK-LBPRGKRZSA-N 1 1 353.806 2.370 20 5 FEBDMO Cc1nn(CCC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000378267818 558515544 /nfs/dbraw/zinc/51/55/44/558515544.db2.gz CDEZGLRGMDXDCQ-INIZCTEOSA-N 1 1 357.414 2.101 20 5 FEBDMO Cc1nn(CCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000378267818 558515546 /nfs/dbraw/zinc/51/55/46/558515546.db2.gz CDEZGLRGMDXDCQ-INIZCTEOSA-N 1 1 357.414 2.101 20 5 FEBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000378572812 558586248 /nfs/dbraw/zinc/58/62/48/558586248.db2.gz YEXVCDMLXFKYNZ-UHFFFAOYSA-N 1 1 373.388 2.291 20 5 FEBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000378572812 558586251 /nfs/dbraw/zinc/58/62/51/558586251.db2.gz YEXVCDMLXFKYNZ-UHFFFAOYSA-N 1 1 373.388 2.291 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000378584527 558588713 /nfs/dbraw/zinc/58/87/13/558588713.db2.gz TWMCVZXSONLCIH-VKJFTORMSA-N 1 1 367.409 2.178 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000408342947 558669012 /nfs/dbraw/zinc/66/90/12/558669012.db2.gz MFXMEHRSLMZZBV-CABCVRRESA-N 1 1 353.444 2.117 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411535206 558912466 /nfs/dbraw/zinc/91/24/66/558912466.db2.gz QTXUMXIQWRZSFO-AWEZNQCLSA-N 1 1 362.430 2.141 20 5 FEBDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000411579179 558921276 /nfs/dbraw/zinc/92/12/76/558921276.db2.gz CXWOUDBGSXGIHF-CQSZACIVSA-N 1 1 362.430 2.093 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](CCO)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000411637393 558933575 /nfs/dbraw/zinc/93/35/75/558933575.db2.gz CULUNNIANNYRLF-ZIAGYGMSSA-N 1 1 365.430 2.415 20 5 FEBDMO COCC(COC)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000411841850 558974239 /nfs/dbraw/zinc/97/42/39/558974239.db2.gz FSEMXYWLKMPLLT-UHFFFAOYSA-N 1 1 357.838 2.027 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411907962 558985989 /nfs/dbraw/zinc/98/59/89/558985989.db2.gz CNQGTINLFIMATI-ZHALLVOQSA-N 1 1 358.394 2.142 20 5 FEBDMO COc1ccc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000411967505 558996953 /nfs/dbraw/zinc/99/69/53/558996953.db2.gz DEORPZXMZDOXBN-CVEARBPZSA-N 1 1 355.394 2.304 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000412084989 559011598 /nfs/dbraw/zinc/01/15/98/559011598.db2.gz ZBSIJQXLIJZOBG-KRWDZBQOSA-N 1 1 360.370 2.420 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000412084989 559011599 /nfs/dbraw/zinc/01/15/99/559011599.db2.gz ZBSIJQXLIJZOBG-KRWDZBQOSA-N 1 1 360.370 2.420 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000412232159 559021572 /nfs/dbraw/zinc/02/15/72/559021572.db2.gz NLVVHPIUEWELSQ-NEPJUHHUSA-N 1 1 353.394 2.226 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1F ZINC000413168192 559084844 /nfs/dbraw/zinc/08/48/44/559084844.db2.gz MKRSYNWIPPDPNT-TZMCWYRMSA-N 1 1 351.378 2.028 20 5 FEBDMO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416496986 559317798 /nfs/dbraw/zinc/31/77/98/559317798.db2.gz RRXIYNVXVGCVRR-MRVPVSSYSA-N 1 1 368.242 2.132 20 5 FEBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416496986 559317799 /nfs/dbraw/zinc/31/77/99/559317799.db2.gz RRXIYNVXVGCVRR-MRVPVSSYSA-N 1 1 368.242 2.132 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N2CC[NH2+]C[C@@](C)(F)C2)c([N+](=O)[O-])c1 ZINC000417716063 559373705 /nfs/dbraw/zinc/37/37/05/559373705.db2.gz LCHCUGLRLSPSBI-QGZVFWFLSA-N 1 1 367.425 2.048 20 5 FEBDMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000419398629 559440712 /nfs/dbraw/zinc/44/07/12/559440712.db2.gz IENVSYOLERUODT-INIZCTEOSA-N 1 1 370.409 2.441 20 5 FEBDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000420921517 559511449 /nfs/dbraw/zinc/51/14/49/559511449.db2.gz DBHYXHPOKDZEEY-ZWKOTPCHSA-N 1 1 362.405 2.389 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421184640 559529751 /nfs/dbraw/zinc/52/97/51/559529751.db2.gz PUXJDQCMEFPFFU-UHFFFAOYSA-N 1 1 369.377 2.383 20 5 FEBDMO Cc1cc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000421387663 559540957 /nfs/dbraw/zinc/54/09/57/559540957.db2.gz PDCHUHDXHCQIDK-UHFFFAOYSA-N 1 1 369.468 2.375 20 5 FEBDMO Cc1cc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cs1 ZINC000421387663 559540958 /nfs/dbraw/zinc/54/09/58/559540958.db2.gz PDCHUHDXHCQIDK-UHFFFAOYSA-N 1 1 369.468 2.375 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000421707688 559550239 /nfs/dbraw/zinc/55/02/39/559550239.db2.gz YDBNJNMPBMIZJG-OAHLLOKOSA-N 1 1 357.414 2.162 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425352484 559698022 /nfs/dbraw/zinc/69/80/22/559698022.db2.gz HRTHJAAEPVUJTI-CYBMUJFWSA-N 1 1 353.386 2.103 20 5 FEBDMO C[N@H+](CCN1CCOCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425391244 559699559 /nfs/dbraw/zinc/69/95/59/559699559.db2.gz DCHGSHVYQJREGA-UHFFFAOYSA-N 1 1 358.236 2.121 20 5 FEBDMO C[N@@H+](CCN1CCOCC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425391244 559699560 /nfs/dbraw/zinc/69/95/60/559699560.db2.gz DCHGSHVYQJREGA-UHFFFAOYSA-N 1 1 358.236 2.121 20 5 FEBDMO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425427401 559701766 /nfs/dbraw/zinc/70/17/66/559701766.db2.gz UMTAZRIHSZHAJG-SNVBAGLBSA-N 1 1 356.220 2.445 20 5 FEBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425427401 559701767 /nfs/dbraw/zinc/70/17/67/559701767.db2.gz UMTAZRIHSZHAJG-SNVBAGLBSA-N 1 1 356.220 2.445 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425544138 559708784 /nfs/dbraw/zinc/70/87/84/559708784.db2.gz DELLVQAOULNCLY-NVXWUHKLSA-N 1 1 363.801 2.218 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425544138 559708785 /nfs/dbraw/zinc/70/87/85/559708785.db2.gz DELLVQAOULNCLY-NVXWUHKLSA-N 1 1 363.801 2.218 20 5 FEBDMO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000428553212 559778106 /nfs/dbraw/zinc/77/81/06/559778106.db2.gz OQOYBAXWQUEOFW-UHFFFAOYSA-N 1 1 370.452 2.366 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNc2c(Br)cncc2[N+](=O)[O-])CCCO1 ZINC000432862363 559866682 /nfs/dbraw/zinc/86/66/82/559866682.db2.gz DSJPMLJFNSUOPM-NSHDSACASA-N 1 1 373.251 2.087 20 5 FEBDMO O=C(C[N@@H+](CCO)[C@@H]1CCCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439000823 559986941 /nfs/dbraw/zinc/98/69/41/559986941.db2.gz NZRYQFYIHHZVDK-GFCCVEGCSA-N 1 1 373.862 2.377 20 5 FEBDMO O=C(C[N@H+](CCO)[C@@H]1CCCSC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439000823 559986942 /nfs/dbraw/zinc/98/69/42/559986942.db2.gz NZRYQFYIHHZVDK-GFCCVEGCSA-N 1 1 373.862 2.377 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000439910504 560001823 /nfs/dbraw/zinc/00/18/23/560001823.db2.gz HMJIFRVRRXVXCX-CQSZACIVSA-N 1 1 366.418 2.226 20 5 FEBDMO COc1cc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc2c1OCO2 ZINC000446849613 560152715 /nfs/dbraw/zinc/15/27/15/560152715.db2.gz ZUQOXGKHOIFSPQ-UHFFFAOYSA-N 1 1 356.338 2.498 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562571 560164615 /nfs/dbraw/zinc/16/46/15/560164615.db2.gz MIGMFZANJPNZBV-CRAIPNDOSA-N 1 1 360.458 2.149 20 5 FEBDMO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000449197598 560219732 /nfs/dbraw/zinc/21/97/32/560219732.db2.gz WOPKJEKSEZRTOE-MRXNPFEDSA-N 1 1 357.458 2.477 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000449673052 560236335 /nfs/dbraw/zinc/23/63/35/560236335.db2.gz NVYRVQRFKDUCLN-LKFCYVNXSA-N 1 1 364.320 2.357 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000449673052 560236336 /nfs/dbraw/zinc/23/63/36/560236336.db2.gz NVYRVQRFKDUCLN-LKFCYVNXSA-N 1 1 364.320 2.357 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449871611 560243433 /nfs/dbraw/zinc/24/34/33/560243433.db2.gz TWXCEGVZJNOTTP-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450054528 560249384 /nfs/dbraw/zinc/24/93/84/560249384.db2.gz YAADDCSUPLKDJA-JKSUJKDBSA-N 1 1 369.425 2.479 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCC(C)(C)[NH+]1CCOCC1 ZINC000450212977 560254094 /nfs/dbraw/zinc/25/40/94/560254094.db2.gz FBVXSPXROKWEBZ-UHFFFAOYSA-N 1 1 360.414 2.096 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451558328 560314552 /nfs/dbraw/zinc/31/45/52/560314552.db2.gz GAGQYCWNIRRBLW-IUODEOHRSA-N 1 1 351.403 2.289 20 5 FEBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)CC(C)(C)C ZINC000451785670 560328428 /nfs/dbraw/zinc/32/84/28/560328428.db2.gz GPXCVARKXQJROP-AWEZNQCLSA-N 1 1 358.460 2.097 20 5 FEBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](CO)CC(C)(C)C ZINC000451785670 560328429 /nfs/dbraw/zinc/32/84/29/560328429.db2.gz GPXCVARKXQJROP-AWEZNQCLSA-N 1 1 358.460 2.097 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOCC23CCCCC3)c1 ZINC000451808192 560329942 /nfs/dbraw/zinc/32/99/42/560329942.db2.gz DZWGCHPEGDRPTE-INIZCTEOSA-N 1 1 350.415 2.370 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882279 560334233 /nfs/dbraw/zinc/33/42/33/560334233.db2.gz CMUPSPDAHFIIGL-HZMBPMFUSA-N 1 1 361.320 2.169 20 5 FEBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000452018031 560345751 /nfs/dbraw/zinc/34/57/51/560345751.db2.gz NZDCFGMNPVQRTR-BFYDXBDKSA-N 1 1 360.414 2.039 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452358053 560359976 /nfs/dbraw/zinc/35/99/76/560359976.db2.gz FSVCDOYLNSZMRH-SJLPKXTDSA-N 1 1 363.458 2.127 20 5 FEBDMO CC(=O)Nc1ccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000453576810 560389259 /nfs/dbraw/zinc/38/92/59/560389259.db2.gz NQADHQWVVGFWOT-UHFFFAOYSA-N 1 1 355.398 2.270 20 5 FEBDMO CNc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000455994609 560503886 /nfs/dbraw/zinc/50/38/86/560503886.db2.gz IABQTNGCGCMOTR-CJNGLKHVSA-N 1 1 355.398 2.207 20 5 FEBDMO C[N@@H+](CCCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000457212830 560556225 /nfs/dbraw/zinc/55/62/25/560556225.db2.gz YBWSDMWLTCPNGR-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO CN(C(=O)C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459815942 560710489 /nfs/dbraw/zinc/71/04/89/560710489.db2.gz YWPQZNUSAWWXDW-ZWKOTPCHSA-N 1 1 361.442 2.431 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460128867 560735882 /nfs/dbraw/zinc/73/58/82/560735882.db2.gz GYZZNHJZAQJAAF-HUUCEWRRSA-N 1 1 360.414 2.126 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461471524 560773334 /nfs/dbraw/zinc/77/33/34/560773334.db2.gz QCXDKOIDHDUABF-MRXNPFEDSA-N 1 1 371.441 2.360 20 5 FEBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463454189 560815587 /nfs/dbraw/zinc/81/55/87/560815587.db2.gz MLKMXMWAORDILH-UPJWGTAASA-N 1 1 350.341 2.205 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000464850812 560853261 /nfs/dbraw/zinc/85/32/61/560853261.db2.gz LCBDPYXQNPUGNS-ZFWWWQNUSA-N 1 1 361.398 2.394 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000465636728 560870198 /nfs/dbraw/zinc/87/01/98/560870198.db2.gz SPCVNYFQMZTQDO-UHFFFAOYSA-N 1 1 360.418 2.291 20 5 FEBDMO CCOc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020994 560901734 /nfs/dbraw/zinc/90/17/34/560901734.db2.gz DAIHEBCVCZFTDS-BXUZGUMPSA-N 1 1 363.414 2.215 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724298 560916028 /nfs/dbraw/zinc/91/60/28/560916028.db2.gz RWHCHRDSYYAAOE-WMLDXEAASA-N 1 1 372.469 2.410 20 5 FEBDMO COc1cc(OCC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000468472659 560930808 /nfs/dbraw/zinc/93/08/08/560930808.db2.gz MHYVGJCBUINUMR-INIZCTEOSA-N 1 1 365.430 2.219 20 5 FEBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)cc1[N+](=O)[O-] ZINC000470019090 560972359 /nfs/dbraw/zinc/97/23/59/560972359.db2.gz RDEQNIPZKQJHBT-KRWDZBQOSA-N 1 1 374.485 2.362 20 5 FEBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCNCC3)C2)cc1[N+](=O)[O-] ZINC000470019090 560972360 /nfs/dbraw/zinc/97/23/60/560972360.db2.gz RDEQNIPZKQJHBT-KRWDZBQOSA-N 1 1 374.485 2.362 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000470497075 560983469 /nfs/dbraw/zinc/98/34/69/560983469.db2.gz NTSYPYJTEKZFCU-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000471205741 561000365 /nfs/dbraw/zinc/00/03/65/561000365.db2.gz WKKAVTWCCPHINK-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000471205741 561000366 /nfs/dbraw/zinc/00/03/66/561000366.db2.gz WKKAVTWCCPHINK-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000471205741 561000367 /nfs/dbraw/zinc/00/03/67/561000367.db2.gz WKKAVTWCCPHINK-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1cnn(C)c1 ZINC000471495704 561005822 /nfs/dbraw/zinc/00/58/22/561005822.db2.gz IKDXQGNELJCJKT-SUMWQHHRSA-N 1 1 374.445 2.202 20 5 FEBDMO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472237465 561021641 /nfs/dbraw/zinc/02/16/41/561021641.db2.gz DHEVUEKCSLHQTF-GDBMZVCRSA-N 1 1 350.419 2.235 20 5 FEBDMO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472237465 561021642 /nfs/dbraw/zinc/02/16/42/561021642.db2.gz DHEVUEKCSLHQTF-GDBMZVCRSA-N 1 1 350.419 2.235 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000472362375 561025056 /nfs/dbraw/zinc/02/50/56/561025056.db2.gz VYROELZFXYLMKX-QGZVFWFLSA-N 1 1 362.474 2.205 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000473956479 561062167 /nfs/dbraw/zinc/06/21/67/561062167.db2.gz MLNHZNYVGSXLFU-GHMZBOCLSA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000473956479 561062168 /nfs/dbraw/zinc/06/21/68/561062168.db2.gz MLNHZNYVGSXLFU-GHMZBOCLSA-N 1 1 361.489 2.363 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000475131305 561091258 /nfs/dbraw/zinc/09/12/58/561091258.db2.gz QGYLOOYPRROVNU-MLGOLLRUSA-N 1 1 352.387 2.003 20 5 FEBDMO CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCN(c2ccccn2)CC1 ZINC000475362760 561095774 /nfs/dbraw/zinc/09/57/74/561095774.db2.gz NXGGGQTWQRHDJF-UHFFFAOYSA-N 1 1 358.446 2.462 20 5 FEBDMO CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477018287 561134334 /nfs/dbraw/zinc/13/43/34/561134334.db2.gz QMSAUEKJCHAJKE-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000477027157 561134519 /nfs/dbraw/zinc/13/45/19/561134519.db2.gz SYQZMSHGQYHCIS-CQSZACIVSA-N 1 1 357.414 2.065 20 5 FEBDMO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000477026995 561134536 /nfs/dbraw/zinc/13/45/36/561134536.db2.gz SYQZMSHGQYHCIS-AWEZNQCLSA-N 1 1 357.414 2.065 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000530990535 562430995 /nfs/dbraw/zinc/43/09/95/562430995.db2.gz SJCCBNLWJDHLIG-ZBFHGGJFSA-N 1 1 362.430 2.242 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000531137275 562435857 /nfs/dbraw/zinc/43/58/57/562435857.db2.gz QNWUHQSJSJGEJI-GDBMZVCRSA-N 1 1 364.446 2.488 20 5 FEBDMO O=[N+]([O-])c1c(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc2sccn21 ZINC000531911072 562460994 /nfs/dbraw/zinc/46/09/94/562460994.db2.gz QQQPBBNMTNNWAB-RYUDHWBXSA-N 1 1 351.432 2.359 20 5 FEBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000532563336 562481528 /nfs/dbraw/zinc/48/15/28/562481528.db2.gz OPBZJWXGABVLFQ-WFASDCNBSA-N 1 1 373.409 2.412 20 5 FEBDMO COc1cc2[nH+]c(NCCc3cccc([N+](=O)[O-])c3)nc(N)c2cc1OC ZINC000533906841 562520973 /nfs/dbraw/zinc/52/09/73/562520973.db2.gz AIGPLOMHVYMDFL-UHFFFAOYSA-N 1 1 369.381 2.214 20 5 FEBDMO Cn1ccnc1[C@H]1CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000535045395 562549345 /nfs/dbraw/zinc/54/93/45/562549345.db2.gz CELQHIIHAOTNRX-ZDUSSCGKSA-N 1 1 371.397 2.116 20 5 FEBDMO C[C@@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000537162336 562586760 /nfs/dbraw/zinc/58/67/60/562586760.db2.gz VDROBVQRGMRBBA-QRWLVFNGSA-N 1 1 369.421 2.409 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000541282490 562607969 /nfs/dbraw/zinc/60/79/69/562607969.db2.gz QODJWMUUZOVWOY-BZUAXINKSA-N 1 1 350.415 2.083 20 5 FEBDMO CCOc1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000603706471 568140898 /nfs/dbraw/zinc/14/08/98/568140898.db2.gz KSTBVQGLXZRTIV-CHWSQXEVSA-N 1 1 363.414 2.359 20 5 FEBDMO Cc1cc(OCC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395284 568400534 /nfs/dbraw/zinc/40/05/34/568400534.db2.gz OKMDDMRGNYRCCM-JCKWVBRZSA-N 1 1 361.442 2.471 20 5 FEBDMO C[N@H+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000570823300 568542153 /nfs/dbraw/zinc/54/21/53/568542153.db2.gz JWQYQRZOYGISCZ-QGZVFWFLSA-N 1 1 363.458 2.285 20 5 FEBDMO CN1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000570823300 568542154 /nfs/dbraw/zinc/54/21/54/568542154.db2.gz JWQYQRZOYGISCZ-QGZVFWFLSA-N 1 1 363.458 2.285 20 5 FEBDMO CN1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000570823300 568542156 /nfs/dbraw/zinc/54/21/56/568542156.db2.gz JWQYQRZOYGISCZ-QGZVFWFLSA-N 1 1 363.458 2.285 20 5 FEBDMO CC1(C)CC(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000556602316 674408074 /nfs/dbraw/zinc/40/80/74/674408074.db2.gz NBWPEKUQIGQVTI-OAHLLOKOSA-N 1 1 351.447 2.233 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1F ZINC000808766708 674471566 /nfs/dbraw/zinc/47/15/66/674471566.db2.gz AQGCEIIIZQMBJZ-ZDUSSCGKSA-N 1 1 371.434 2.028 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1F ZINC000808766708 674471567 /nfs/dbraw/zinc/47/15/67/674471567.db2.gz AQGCEIIIZQMBJZ-ZDUSSCGKSA-N 1 1 371.434 2.028 20 5 FEBDMO CN(C)S(=O)(=O)CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000558509428 674501010 /nfs/dbraw/zinc/50/10/10/674501010.db2.gz SUHTYTJYOCRSTQ-KRWDZBQOSA-N 1 1 363.439 2.165 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000559129729 674528829 /nfs/dbraw/zinc/52/88/29/674528829.db2.gz CONMLPFGGSXLBX-MRXNPFEDSA-N 1 1 353.444 2.010 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000559467622 674544456 /nfs/dbraw/zinc/54/44/56/674544456.db2.gz RQRHCYYMLXDRAJ-JKSUJKDBSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000559467622 674544459 /nfs/dbraw/zinc/54/44/59/674544459.db2.gz RQRHCYYMLXDRAJ-JKSUJKDBSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670183 609315308 /nfs/dbraw/zinc/31/53/08/609315308.db2.gz LQCQWRTZPWNXOX-RYUDHWBXSA-N 1 1 372.433 2.235 20 5 FEBDMO O=C(NC[C@H]1CC[C@H](C[NH2+]Cc2ccsc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001048608519 675012087 /nfs/dbraw/zinc/01/20/87/675012087.db2.gz VYSYGYZNIVBPRU-RRCSTGOVSA-N 1 1 351.472 2.426 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000070894722 670493034 /nfs/dbraw/zinc/49/30/34/670493034.db2.gz CXPXMJKSGYLBMH-ZDUSSCGKSA-N 1 1 355.822 2.335 20 5 FEBDMO CN1C[C@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CCC1=O ZINC000570695519 670755354 /nfs/dbraw/zinc/75/53/54/670755354.db2.gz WCNXFNJYFZGPAP-GFCCVEGCSA-N 1 1 356.220 2.410 20 5 FEBDMO CN1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CCC1=O ZINC000570695519 670755358 /nfs/dbraw/zinc/75/53/58/670755358.db2.gz WCNXFNJYFZGPAP-GFCCVEGCSA-N 1 1 356.220 2.410 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000570923905 670788026 /nfs/dbraw/zinc/78/80/26/670788026.db2.gz XYJPRBFNGMIRNS-ZBFHGGJFSA-N 1 1 367.471 2.262 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000572815824 671047406 /nfs/dbraw/zinc/04/74/06/671047406.db2.gz MWVCFPOFVCTPPO-ZDUSSCGKSA-N 1 1 367.471 2.398 20 5 FEBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108204 675181340 /nfs/dbraw/zinc/18/13/40/675181340.db2.gz DMJYTVOHVHHFOC-HLLBOEOZSA-N 1 1 351.447 2.045 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108204 675181345 /nfs/dbraw/zinc/18/13/45/675181345.db2.gz DMJYTVOHVHHFOC-HLLBOEOZSA-N 1 1 351.447 2.045 20 5 FEBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000818003048 675189732 /nfs/dbraw/zinc/18/97/32/675189732.db2.gz NSERLSWJTCKMEK-UHFFFAOYSA-N 1 1 366.849 2.194 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000576515088 671374158 /nfs/dbraw/zinc/37/41/58/671374158.db2.gz LAKDZDAEUUKZJZ-KRWDZBQOSA-N 1 1 365.455 2.440 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000608862299 675905895 /nfs/dbraw/zinc/90/58/95/675905895.db2.gz BIEBWSCLSPTTGI-NSHDSACASA-N 1 1 350.371 2.235 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@H]2CC)cc1OC ZINC000577706100 671614486 /nfs/dbraw/zinc/61/44/86/671614486.db2.gz MQEMRFDRQTZQNY-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@H]2CC)cc1OC ZINC000577706100 671614487 /nfs/dbraw/zinc/61/44/87/671614487.db2.gz MQEMRFDRQTZQNY-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609387901 675921041 /nfs/dbraw/zinc/92/10/41/675921041.db2.gz NCKUESCOJYMGJQ-LBPRGKRZSA-N 1 1 359.835 2.011 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119590891 671903089 /nfs/dbraw/zinc/90/30/89/671903089.db2.gz XPRUTKQNVHXVBA-TXEJJXNPSA-N 1 1 361.489 2.303 20 5 FEBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119669560 671905035 /nfs/dbraw/zinc/90/50/35/671905035.db2.gz XOOUACWWOSVZBP-UHFFFAOYSA-N 1 1 355.441 2.413 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000120065864 671915802 /nfs/dbraw/zinc/91/58/02/671915802.db2.gz RAHIECVLMXVRBV-BXUZGUMPSA-N 1 1 371.484 2.294 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000132369800 672097246 /nfs/dbraw/zinc/09/72/46/672097246.db2.gz ZFKFEPSOLITMRV-LBPRGKRZSA-N 1 1 350.375 2.334 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000133493614 672111485 /nfs/dbraw/zinc/11/14/85/672111485.db2.gz GGSJYJKNSJZAPM-GFCCVEGCSA-N 1 1 359.423 2.053 20 5 FEBDMO Cc1cc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c(C)cc1[N+](=O)[O-] ZINC000583682463 672117273 /nfs/dbraw/zinc/11/72/73/672117273.db2.gz SENLCIVVLMCBCH-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179147380 672399132 /nfs/dbraw/zinc/39/91/32/672399132.db2.gz JPWWTIGBHGNNBY-NSHDSACASA-N 1 1 355.778 2.214 20 5 FEBDMO COC(=O)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179147380 672399135 /nfs/dbraw/zinc/39/91/35/672399135.db2.gz JPWWTIGBHGNNBY-NSHDSACASA-N 1 1 355.778 2.214 20 5 FEBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863077 672486680 /nfs/dbraw/zinc/48/66/80/672486680.db2.gz OWAJLWLANPWZAZ-KGLIPLIRSA-N 1 1 361.423 2.091 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590565750 672590216 /nfs/dbraw/zinc/59/02/16/672590216.db2.gz QERHDCXAAKDZRW-JKSUJKDBSA-N 1 1 367.833 2.112 20 5 FEBDMO COC(=O)[C@@H]1CSCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591057415 672645457 /nfs/dbraw/zinc/64/54/57/672645457.db2.gz LLEHORREUCXMMY-ZDUSSCGKSA-N 1 1 354.428 2.202 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(C(F)(F)F)c1 ZINC000591137269 672653489 /nfs/dbraw/zinc/65/34/89/672653489.db2.gz DFIROFUTJTVVCW-LBPRGKRZSA-N 1 1 360.336 2.310 20 5 FEBDMO CCCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C)C1 ZINC000592300711 672783177 /nfs/dbraw/zinc/78/31/77/672783177.db2.gz XTIXGFTXMPNPBK-LBPRGKRZSA-N 1 1 368.821 2.129 20 5 FEBDMO CC(C)([NH2+]Cc1ccc(S(N)(=O)=O)cc1F)c1ccccc1[N+](=O)[O-] ZINC000592368105 672792535 /nfs/dbraw/zinc/79/25/35/672792535.db2.gz LTTVTEOADXCEKV-UHFFFAOYSA-N 1 1 367.402 2.406 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000246314695 672834794 /nfs/dbraw/zinc/83/47/94/672834794.db2.gz GLBSQPAJNAYYCG-VHSXEESVSA-N 1 1 357.794 2.316 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000594017067 673021015 /nfs/dbraw/zinc/02/10/15/673021015.db2.gz PVLWSYDLMJSJSU-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000594475321 673081750 /nfs/dbraw/zinc/08/17/50/673081750.db2.gz OYMGQWRJPQREMS-UHFFFAOYSA-N 1 1 369.487 2.273 20 5 FEBDMO CC(C)Oc1nc(N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000594575859 673101455 /nfs/dbraw/zinc/10/14/55/673101455.db2.gz CMYSNCUENZMZNV-UHFFFAOYSA-N 1 1 352.435 2.324 20 5 FEBDMO CC(C)Oc1nc(N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000594575859 673101457 /nfs/dbraw/zinc/10/14/57/673101457.db2.gz CMYSNCUENZMZNV-UHFFFAOYSA-N 1 1 352.435 2.324 20 5 FEBDMO CCC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000728523946 673202872 /nfs/dbraw/zinc/20/28/72/673202872.db2.gz IMFWIIHSWCTCPU-UHFFFAOYSA-N 1 1 350.375 2.288 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000595411719 673245964 /nfs/dbraw/zinc/24/59/64/673245964.db2.gz SBHFDEMESWHXGE-OAHLLOKOSA-N 1 1 367.471 2.304 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000595670773 673281439 /nfs/dbraw/zinc/28/14/39/673281439.db2.gz CRSUCAOHABCOEZ-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000595670773 673281441 /nfs/dbraw/zinc/28/14/41/673281441.db2.gz CRSUCAOHABCOEZ-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C1 ZINC000596078670 673356651 /nfs/dbraw/zinc/35/66/51/673356651.db2.gz XSLXLJKTRWPSQA-BETUJISGSA-N 1 1 370.475 2.022 20 5 FEBDMO COc1cc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596112144 673359857 /nfs/dbraw/zinc/35/98/57/673359857.db2.gz HXJTWGKNMKIEOO-IUODEOHRSA-N 1 1 355.822 2.292 20 5 FEBDMO COC(=O)c1cc(NCC[N@@H+]2C[C@@H](C)OC[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427249 673384260 /nfs/dbraw/zinc/38/42/60/673384260.db2.gz DNJPWJIUWPSUSO-QWHCGFSZSA-N 1 1 351.403 2.211 20 5 FEBDMO COC(=O)c1cc(NCC[N@H+]2C[C@@H](C)OC[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427249 673384265 /nfs/dbraw/zinc/38/42/65/673384265.db2.gz DNJPWJIUWPSUSO-QWHCGFSZSA-N 1 1 351.403 2.211 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596433984 673384810 /nfs/dbraw/zinc/38/48/10/673384810.db2.gz VYDYBJNLBPPMCW-OLZOCXBDSA-N 1 1 351.403 2.293 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@H+]2C[C@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596433984 673384814 /nfs/dbraw/zinc/38/48/14/673384814.db2.gz VYDYBJNLBPPMCW-OLZOCXBDSA-N 1 1 351.403 2.293 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348631 673535425 /nfs/dbraw/zinc/53/54/25/673535425.db2.gz RNOYGKSJMYGBES-UONOGXRCSA-N 1 1 350.419 2.066 20 5 FEBDMO Cc1sc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc1[N+](=O)[O-] ZINC000598367298 673562979 /nfs/dbraw/zinc/56/29/79/673562979.db2.gz SXVGDLBSUWRQBX-HUUCEWRRSA-N 1 1 365.455 2.338 20 5 FEBDMO CCOC(=O)C[NH+]1CCC(COC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000740552798 673648894 /nfs/dbraw/zinc/64/88/94/673648894.db2.gz FZNZHDUHHOSEIJ-UHFFFAOYSA-N 1 1 350.371 2.027 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599463978 673678553 /nfs/dbraw/zinc/67/85/53/673678553.db2.gz ICUYSEWSYZRRLQ-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000544622830 673721474 /nfs/dbraw/zinc/72/14/74/673721474.db2.gz VRFOVJKLFXIQRZ-UHFFFAOYSA-N 1 1 354.382 2.044 20 5 FEBDMO C[NH+]1CCC(CNc2ncc(F)cc2[N+](=O)[O-])(N2CCCCC2)CC1 ZINC000601121740 673827124 /nfs/dbraw/zinc/82/71/24/673827124.db2.gz RAKCJWSAPZXXEH-UHFFFAOYSA-N 1 1 351.426 2.491 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000547280996 673839689 /nfs/dbraw/zinc/83/96/89/673839689.db2.gz KHIVLGRIGHTWFF-UHFFFAOYSA-N 1 1 373.862 2.487 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000547280996 673839692 /nfs/dbraw/zinc/83/96/92/673839692.db2.gz KHIVLGRIGHTWFF-UHFFFAOYSA-N 1 1 373.862 2.487 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601433680 673861666 /nfs/dbraw/zinc/86/16/66/673861666.db2.gz HXPLOIFWOYLTIX-LBPRGKRZSA-N 1 1 359.423 2.146 20 5 FEBDMO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602482078 673906646 /nfs/dbraw/zinc/90/66/46/673906646.db2.gz FHWLOCQSGDEYQT-ZETCQYMHSA-N 1 1 350.238 2.233 20 5 FEBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602482078 673906648 /nfs/dbraw/zinc/90/66/48/673906648.db2.gz FHWLOCQSGDEYQT-ZETCQYMHSA-N 1 1 350.238 2.233 20 5 FEBDMO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965537 673914655 /nfs/dbraw/zinc/91/46/55/673914655.db2.gz IBKVIMOZJFZZGQ-KBXCAEBGSA-N 1 1 351.447 2.285 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)C1 ZINC000822673287 675499756 /nfs/dbraw/zinc/49/97/56/675499756.db2.gz NLSCVGLEXSMISO-LLVKDONJSA-N 1 1 368.821 2.278 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000823276691 675541425 /nfs/dbraw/zinc/54/14/25/675541425.db2.gz VLNBQDOSSIEZIC-GZMMTYOYSA-N 1 1 356.785 2.136 20 5 FEBDMO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC12COC2 ZINC000824489661 675606128 /nfs/dbraw/zinc/60/61/28/675606128.db2.gz OETGYFRHYQXERO-CYBMUJFWSA-N 1 1 354.790 2.260 20 5 FEBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC12COC2 ZINC000824489661 675606130 /nfs/dbraw/zinc/60/61/30/675606130.db2.gz OETGYFRHYQXERO-CYBMUJFWSA-N 1 1 354.790 2.260 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827266960 675743884 /nfs/dbraw/zinc/74/38/84/675743884.db2.gz MBHOHCNJMGBWOM-YGRLFVJLSA-N 1 1 355.797 2.482 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000839033069 680734012 /nfs/dbraw/zinc/73/40/12/680734012.db2.gz ZVJGIVJMPPSXNW-INIZCTEOSA-N 1 1 362.817 2.499 20 5 FEBDMO CC(C)(C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCS(C)(=O)=O ZINC000839506177 680757862 /nfs/dbraw/zinc/75/78/62/680757862.db2.gz NJVGJYSTQZZJOR-UHFFFAOYSA-N 1 1 371.459 2.069 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839566058 680762381 /nfs/dbraw/zinc/76/23/81/680762381.db2.gz CAUBKGYDRVTSAL-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839566058 680762383 /nfs/dbraw/zinc/76/23/83/680762383.db2.gz CAUBKGYDRVTSAL-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840956901 680857041 /nfs/dbraw/zinc/85/70/41/680857041.db2.gz AFPDQYFSMBPAQB-SNVBAGLBSA-N 1 1 356.220 2.267 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840956901 680857044 /nfs/dbraw/zinc/85/70/44/680857044.db2.gz AFPDQYFSMBPAQB-SNVBAGLBSA-N 1 1 356.220 2.267 20 5 FEBDMO Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c2c([nH+]1)CCCC2 ZINC000840950986 680856314 /nfs/dbraw/zinc/85/63/14/680856314.db2.gz QKDANVDGYSYAMH-UHFFFAOYSA-N 1 1 353.425 2.461 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])C1 ZINC000749146622 680023459 /nfs/dbraw/zinc/02/34/59/680023459.db2.gz IVWVBTFCCZPMFK-LBPRGKRZSA-N 1 1 352.391 2.082 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000833553958 680195452 /nfs/dbraw/zinc/19/54/52/680195452.db2.gz YNDLXEHARGQXGE-LBPRGKRZSA-N 1 1 355.822 2.133 20 5 FEBDMO Cc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996429732 680332334 /nfs/dbraw/zinc/33/23/34/680332334.db2.gz VCWIWEZYIOVOBW-CZUORRHYSA-N 1 1 351.834 2.394 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000996429750 680332450 /nfs/dbraw/zinc/33/24/50/680332450.db2.gz WAPBCDLTOYCYMJ-IUODEOHRSA-N 1 1 355.797 2.225 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](CC3CC(F)(F)C3)C2)CC1 ZINC001035186333 680443695 /nfs/dbraw/zinc/44/36/95/680443695.db2.gz BHNMQKKWHPIKEE-ZIAGYGMSSA-N 1 1 357.401 2.011 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@H+](CC3CC(F)(F)C3)C2)CC1 ZINC001035186333 680443698 /nfs/dbraw/zinc/44/36/98/680443698.db2.gz BHNMQKKWHPIKEE-ZIAGYGMSSA-N 1 1 357.401 2.011 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@@H+](CC3CC(F)(F)C3)C2)CC1 ZINC001035186333 680443702 /nfs/dbraw/zinc/44/37/02/680443702.db2.gz BHNMQKKWHPIKEE-ZIAGYGMSSA-N 1 1 357.401 2.011 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000836698059 680501699 /nfs/dbraw/zinc/50/16/99/680501699.db2.gz MHSMJCJQJXUUHQ-GFCCVEGCSA-N 1 1 368.865 2.170 20 5 FEBDMO O=C(NC1CC[NH+](Cc2ccc(C(F)F)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002788253 680508332 /nfs/dbraw/zinc/50/83/32/680508332.db2.gz OZKKACOHMJJIEN-HUUCEWRRSA-N 1 1 353.369 2.370 20 5 FEBDMO O=C(NC1CC[NH+](CCc2ccccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002787358 680508538 /nfs/dbraw/zinc/50/85/38/680508538.db2.gz JEMSPEAXOLORHS-GDBMZVCRSA-N 1 1 351.834 2.128 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841596716 680902797 /nfs/dbraw/zinc/90/27/97/680902797.db2.gz UVFWZSVJPHSHQA-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841596716 680902798 /nfs/dbraw/zinc/90/27/98/680902798.db2.gz UVFWZSVJPHSHQA-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000843758685 681016900 /nfs/dbraw/zinc/01/69/00/681016900.db2.gz UTYDJOQECNRYGE-ZDUSSCGKSA-N 1 1 353.394 2.129 20 5 FEBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@H]1CC[N@@H+](C)C1 ZINC000843987916 681029341 /nfs/dbraw/zinc/02/93/41/681029341.db2.gz GUIAUONLCJRYQV-LBPRGKRZSA-N 1 1 352.410 2.356 20 5 FEBDMO COCCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000846116357 681184791 /nfs/dbraw/zinc/18/47/91/681184791.db2.gz GGPOMRDWNULIIS-UHFFFAOYSA-N 1 1 357.838 2.029 20 5 FEBDMO COc1cc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c([N+](=O)[O-])cc1F ZINC000932777689 681308231 /nfs/dbraw/zinc/30/82/31/681308231.db2.gz TYYUTWUKOZKWHI-ZDUSSCGKSA-N 1 1 353.350 2.063 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934337734 681554804 /nfs/dbraw/zinc/55/48/04/681554804.db2.gz USASEVHNFQOTJS-DZGCQCFKSA-N 1 1 363.439 2.356 20 5 FEBDMO Cc1ccc(NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[nH+]c1 ZINC000780518721 681837344 /nfs/dbraw/zinc/83/73/44/681837344.db2.gz HCLNWZXAEXQHRI-UHFFFAOYSA-N 1 1 350.400 2.226 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000780865690 681879033 /nfs/dbraw/zinc/87/90/33/681879033.db2.gz BOVKNEPNSOAVES-SNVBAGLBSA-N 1 1 361.851 2.319 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782525091 682053844 /nfs/dbraw/zinc/05/38/44/682053844.db2.gz VFDKJYNVODCEEZ-CHWSQXEVSA-N 1 1 352.410 2.477 20 5 FEBDMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782525091 682053852 /nfs/dbraw/zinc/05/38/52/682053852.db2.gz VFDKJYNVODCEEZ-CHWSQXEVSA-N 1 1 352.410 2.477 20 5 FEBDMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000782525091 682053857 /nfs/dbraw/zinc/05/38/57/682053857.db2.gz VFDKJYNVODCEEZ-CHWSQXEVSA-N 1 1 352.410 2.477 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000917082685 685529547 /nfs/dbraw/zinc/52/95/47/685529547.db2.gz YAJWSOUFVXFQGL-CHWSQXEVSA-N 1 1 350.375 2.342 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000854954557 682614024 /nfs/dbraw/zinc/61/40/24/682614024.db2.gz FTCVDCNLOXGPSQ-RYUDHWBXSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000854954557 682614026 /nfs/dbraw/zinc/61/40/26/682614026.db2.gz FTCVDCNLOXGPSQ-RYUDHWBXSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1[N+](=O)[O-] ZINC000856254420 682758303 /nfs/dbraw/zinc/75/83/03/682758303.db2.gz BPOJVWWJAHNLDX-CYBMUJFWSA-N 1 1 367.833 2.228 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000793945526 682920047 /nfs/dbraw/zinc/92/00/47/682920047.db2.gz AQFOFUYAXRACSP-UHFFFAOYSA-N 1 1 363.805 2.381 20 5 FEBDMO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC(C)(C)OC1=O ZINC000795661479 683077776 /nfs/dbraw/zinc/07/77/76/683077776.db2.gz LQTGCOHBGQDFRT-ZDUSSCGKSA-N 1 1 353.350 2.088 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CC(C)(C)OC1=O ZINC000795661479 683077777 /nfs/dbraw/zinc/07/77/77/683077777.db2.gz LQTGCOHBGQDFRT-ZDUSSCGKSA-N 1 1 353.350 2.088 20 5 FEBDMO C[C@@H](C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860097971 683201933 /nfs/dbraw/zinc/20/19/33/683201933.db2.gz XFAMFPGCJCKJHL-WFASDCNBSA-N 1 1 353.419 2.473 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798172568 683317812 /nfs/dbraw/zinc/31/78/12/683317812.db2.gz JJHFCIRKDYNVTI-JTQLQIEISA-N 1 1 371.235 2.166 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928090405 683379739 /nfs/dbraw/zinc/37/97/39/683379739.db2.gz HXVZCQBHECDNAS-JKSUJKDBSA-N 1 1 360.439 2.386 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928094202 683384231 /nfs/dbraw/zinc/38/42/31/683384231.db2.gz AMAKRRMCNPEVAD-SWLSCSKDSA-N 1 1 360.439 2.386 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862032566 683519513 /nfs/dbraw/zinc/51/95/13/683519513.db2.gz USZIWWNPBCLEBG-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1Cl ZINC000862213561 683550968 /nfs/dbraw/zinc/55/09/68/683550968.db2.gz RSHFPTDQABNCEG-UHFFFAOYSA-N 1 1 367.833 2.493 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000929472830 683601072 /nfs/dbraw/zinc/60/10/72/683601072.db2.gz VHVHMAFUNGMZSX-AWEZNQCLSA-N 1 1 367.471 2.403 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000930205256 683692659 /nfs/dbraw/zinc/69/26/59/683692659.db2.gz SCFRFSLWYSPYHB-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO C[N@H+]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864443386 683853640 /nfs/dbraw/zinc/85/36/40/683853640.db2.gz ZQLUXSFOUKQNAH-UHFFFAOYSA-N 1 1 356.220 2.064 20 5 FEBDMO C[N@H+]1C[C@@]2(C)CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000931311764 684259563 /nfs/dbraw/zinc/25/95/63/684259563.db2.gz SKWBHEKPMLPTIE-CALCHBBNSA-N 1 1 366.849 2.460 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1C ZINC000872663788 685000182 /nfs/dbraw/zinc/00/01/82/685000182.db2.gz LITBFDRFONRZDQ-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1C ZINC000872663788 685000184 /nfs/dbraw/zinc/00/01/84/685000184.db2.gz LITBFDRFONRZDQ-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874829716 685677546 /nfs/dbraw/zinc/67/75/46/685677546.db2.gz NANJODXHBXUFSF-UONOGXRCSA-N 1 1 350.394 2.109 20 5 FEBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000876979794 686304482 /nfs/dbraw/zinc/30/44/82/686304482.db2.gz AIBIJZQNPUGCCI-GTTSAUCSSA-N 1 1 357.357 2.040 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879558193 686855069 /nfs/dbraw/zinc/85/50/69/686855069.db2.gz HUANODKARSKUCA-NWDGAFQWSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879558193 686855077 /nfs/dbraw/zinc/85/50/77/686855077.db2.gz HUANODKARSKUCA-NWDGAFQWSA-N 1 1 351.428 2.227 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134441 687003862 /nfs/dbraw/zinc/00/38/62/687003862.db2.gz MVJXRFHZWZTOOH-HUUCEWRRSA-N 1 1 352.822 2.355 20 5 FEBDMO C[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881863594 687238467 /nfs/dbraw/zinc/23/84/67/687238467.db2.gz CJYVYBQRNRPPME-LBPRGKRZSA-N 1 1 356.220 2.458 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000882275692 687340466 /nfs/dbraw/zinc/34/04/66/687340466.db2.gz ZNVYVMOLJNUKDE-CQSZACIVSA-N 1 1 373.862 2.271 20 5 FEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000882484292 687375476 /nfs/dbraw/zinc/37/54/76/687375476.db2.gz YHKDTZOCBPFUGA-JTQLQIEISA-N 1 1 361.320 2.360 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000882501319 687379661 /nfs/dbraw/zinc/37/96/61/687379661.db2.gz RELCBUHIIYQZFT-DGCLKSJQSA-N 1 1 373.862 2.271 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886562430 688275036 /nfs/dbraw/zinc/27/50/36/688275036.db2.gz ZTTHGJWXIRYGLF-SDDRHHMPSA-N 1 1 351.428 2.225 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000888283056 688577118 /nfs/dbraw/zinc/57/71/18/688577118.db2.gz HKKIJYQLKMBPIR-UHFFFAOYSA-N 1 1 370.837 2.477 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000888283056 688577121 /nfs/dbraw/zinc/57/71/21/688577121.db2.gz HKKIJYQLKMBPIR-UHFFFAOYSA-N 1 1 370.837 2.477 20 5 FEBDMO CC[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889716408 688810598 /nfs/dbraw/zinc/81/05/98/688810598.db2.gz RHNWUEIDUCOOAX-LBPRGKRZSA-N 1 1 371.235 2.251 20 5 FEBDMO C[C@H]1[C@@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[N@@H+]1C ZINC000895741022 689764371 /nfs/dbraw/zinc/76/43/71/689764371.db2.gz WQXBOZUGVGWIPQ-GWCFXTLKSA-N 1 1 363.805 2.299 20 5 FEBDMO C[C@H]1[C@@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[N@H+]1C ZINC000895741022 689764376 /nfs/dbraw/zinc/76/43/76/689764376.db2.gz WQXBOZUGVGWIPQ-GWCFXTLKSA-N 1 1 363.805 2.299 20 5 FEBDMO C[N@H+]1CCC[C@](O)(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000908077428 691610696 /nfs/dbraw/zinc/61/06/96/691610696.db2.gz ZGQZESSZGPSPOB-AWEZNQCLSA-N 1 1 372.219 2.143 20 5 FEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001164814829 720099130 /nfs/dbraw/zinc/09/91/30/720099130.db2.gz WZSFYKJDROZJGN-KBXCAEBGSA-N 1 1 364.421 2.314 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164724900 720357489 /nfs/dbraw/zinc/35/74/89/720357489.db2.gz LNVFPSOCAITKQN-HUUCEWRRSA-N 1 1 370.369 2.146 20 5 FEBDMO COc1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164726503 720375454 /nfs/dbraw/zinc/37/54/54/720375454.db2.gz OZWOXXFMYQUEAU-CVEARBPZSA-N 1 1 355.398 2.247 20 5 FEBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N)c([N+](=O)[O-])cn1)[C@@H]2C ZINC001164863599 720971605 /nfs/dbraw/zinc/97/16/05/720971605.db2.gz XHUIFELGLJTAJK-GFCCVEGCSA-N 1 1 359.434 2.190 20 5 FEBDMO Cc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164869240 721048865 /nfs/dbraw/zinc/04/88/65/721048865.db2.gz SRCUHQUYAKTOGJ-DLBZAZTESA-N 1 1 369.425 2.173 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932467 721858215 /nfs/dbraw/zinc/85/82/15/721858215.db2.gz XZSQQONGHBSNNC-QZTJIDSGSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932467 721858217 /nfs/dbraw/zinc/85/82/17/721858217.db2.gz XZSQQONGHBSNNC-QZTJIDSGSA-N 1 1 355.442 2.358 20 5 FEBDMO COCC[N@@H+](C)CC[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000505564713 889685004 /nfs/dbraw/zinc/68/50/04/889685004.db2.gz PKWMDCUVIAFWIA-CQSZACIVSA-N 1 1 360.418 2.089 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000015406388 539616938 /nfs/dbraw/zinc/61/69/38/539616938.db2.gz FLVILJYLUOYVIA-UHFFFAOYSA-N 1 1 367.471 2.481 20 5 FEBDMO NC(=O)c1ccc(NCc2ccccc2C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000018061406 539645585 /nfs/dbraw/zinc/64/55/85/539645585.db2.gz NYEQNGBSMWOUTE-UHFFFAOYSA-N 1 1 370.409 2.138 20 5 FEBDMO CNc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000021052149 539679713 /nfs/dbraw/zinc/67/97/13/539679713.db2.gz DIHAZGZTXCBABA-STQMWFEESA-N 1 1 364.446 2.254 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000047678149 540324516 /nfs/dbraw/zinc/32/45/16/540324516.db2.gz BSKFWQTXACJTNR-UHFFFAOYSA-N 1 1 354.370 2.106 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000052753023 540487386 /nfs/dbraw/zinc/48/73/86/540487386.db2.gz AYIAOKDAUAHPRN-CYBMUJFWSA-N 1 1 363.414 2.433 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCc2sccc2C1 ZINC000054220451 540575346 /nfs/dbraw/zinc/57/53/46/540575346.db2.gz ZPLVKRQDUMXSCP-UHFFFAOYSA-N 1 1 361.423 2.210 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCc2sccc2C1 ZINC000054220451 540575349 /nfs/dbraw/zinc/57/53/49/540575349.db2.gz ZPLVKRQDUMXSCP-UHFFFAOYSA-N 1 1 361.423 2.210 20 5 FEBDMO C[NH+]1CCN([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000057288208 540786460 /nfs/dbraw/zinc/78/64/60/540786460.db2.gz HHHOHVSLTAIYFF-MRXNPFEDSA-N 1 1 374.466 2.375 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000057700855 540809303 /nfs/dbraw/zinc/80/93/03/540809303.db2.gz ATUWVUQUDIODTN-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CNc2ccccc2[N+](=O)[O-])cn1 ZINC000065874408 541268228 /nfs/dbraw/zinc/26/82/28/541268228.db2.gz RNDCCSBFHNLQTN-UHFFFAOYSA-N 1 1 366.381 2.212 20 5 FEBDMO CCOc1cc(C(=O)NCC[N@@H+](C)[C@@H](C)CC)c([N+](=O)[O-])cc1OC ZINC000066137014 541283604 /nfs/dbraw/zinc/28/36/04/541283604.db2.gz FYUAYSUBQZUFBN-LBPRGKRZSA-N 1 1 353.419 2.462 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000066196548 541289497 /nfs/dbraw/zinc/28/94/97/541289497.db2.gz UAHLRXDDIQABLV-HNNXBMFYSA-N 1 1 363.462 2.157 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000067161624 541427507 /nfs/dbraw/zinc/42/75/07/541427507.db2.gz HATBVZXDOBPMSB-UHFFFAOYSA-N 1 1 368.437 2.455 20 5 FEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069469714 541687826 /nfs/dbraw/zinc/68/78/26/541687826.db2.gz FLRUWKHJKWCEAB-UHFFFAOYSA-N 1 1 364.446 2.489 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000070830298 541745885 /nfs/dbraw/zinc/74/58/85/541745885.db2.gz IEHNRYMJAOWTKI-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665245 541847106 /nfs/dbraw/zinc/84/71/06/541847106.db2.gz BJKDRTTWGJZCIR-MRXNPFEDSA-N 1 1 369.425 2.135 20 5 FEBDMO CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665245 541847111 /nfs/dbraw/zinc/84/71/11/541847111.db2.gz BJKDRTTWGJZCIR-MRXNPFEDSA-N 1 1 369.425 2.135 20 5 FEBDMO CC(C)CN(C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072664970 541847317 /nfs/dbraw/zinc/84/73/17/541847317.db2.gz KKNPTUPZQRJVOS-AWEZNQCLSA-N 1 1 361.446 2.123 20 5 FEBDMO CC(C)CN(C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072664970 541847320 /nfs/dbraw/zinc/84/73/20/541847320.db2.gz KKNPTUPZQRJVOS-AWEZNQCLSA-N 1 1 361.446 2.123 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000072716351 541855650 /nfs/dbraw/zinc/85/56/50/541855650.db2.gz KXAGQSDUKBKMKF-CYBMUJFWSA-N 1 1 371.434 2.086 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000072716919 541856645 /nfs/dbraw/zinc/85/66/45/541856645.db2.gz OTIKDTVVJUIECQ-HNNXBMFYSA-N 1 1 367.471 2.256 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072725285 541858972 /nfs/dbraw/zinc/85/89/72/541858972.db2.gz WLNYTLZMSMBJFC-INIZCTEOSA-N 1 1 360.458 2.290 20 5 FEBDMO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072977532 541901847 /nfs/dbraw/zinc/90/18/47/541901847.db2.gz DHNJUAAVHHEMIN-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072977532 541901851 /nfs/dbraw/zinc/90/18/51/541901851.db2.gz DHNJUAAVHHEMIN-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000072989716 541904729 /nfs/dbraw/zinc/90/47/29/541904729.db2.gz PQEUGBUGHRWWOD-INIZCTEOSA-N 1 1 363.439 2.484 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000074095034 542035382 /nfs/dbraw/zinc/03/53/82/542035382.db2.gz WRJZCZAURPXFFN-NSHDSACASA-N 1 1 363.443 2.191 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000075655941 542196232 /nfs/dbraw/zinc/19/62/32/542196232.db2.gz CTGUJGXIYTWYFA-MRXNPFEDSA-N 1 1 363.439 2.484 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](Cc2ccccc2)CC2CCOCC2)c1 ZINC000075721180 542201371 /nfs/dbraw/zinc/20/13/71/542201371.db2.gz BMSVIWQSRSJZCM-IBGZPJMESA-N 1 1 374.441 2.081 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332842 542455743 /nfs/dbraw/zinc/45/57/43/542455743.db2.gz GLXABHSKGIWVSY-TZMCWYRMSA-N 1 1 355.460 2.165 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078644244 542473372 /nfs/dbraw/zinc/47/33/72/542473372.db2.gz AOTNQDYHEUYXMN-LBPRGKRZSA-N 1 1 356.810 2.481 20 5 FEBDMO CCOc1ccc(C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000087493909 542746191 /nfs/dbraw/zinc/74/61/91/542746191.db2.gz WWCGPBSLPOVADE-AWEZNQCLSA-N 1 1 365.455 2.257 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089963367 542779425 /nfs/dbraw/zinc/77/94/25/542779425.db2.gz WDJPRCKQLRMRLC-MSOLQXFVSA-N 1 1 369.421 2.268 20 5 FEBDMO CC(C)C(=O)NCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000092103641 542846072 /nfs/dbraw/zinc/84/60/72/542846072.db2.gz NIEONSDQTIBHHI-UHFFFAOYSA-N 1 1 359.430 2.199 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092659949 542878062 /nfs/dbraw/zinc/87/80/62/542878062.db2.gz BETHIJABBHMUTH-CQSZACIVSA-N 1 1 371.441 2.473 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000096996771 543002146 /nfs/dbraw/zinc/00/21/46/543002146.db2.gz SHTSEZOMDNMFQU-OAHLLOKOSA-N 1 1 367.402 2.315 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+](C)C2CCCC2)cc1C ZINC000104755329 543142489 /nfs/dbraw/zinc/14/24/89/543142489.db2.gz OIGNXLYIOHAMTH-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO CN(C)C(=O)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000104673395 543137100 /nfs/dbraw/zinc/13/71/00/543137100.db2.gz OZTUPOMLUFHAPW-UHFFFAOYSA-N 1 1 373.413 2.092 20 5 FEBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000106479597 543231946 /nfs/dbraw/zinc/23/19/46/543231946.db2.gz JQZXZPVFCWFLKZ-OAHLLOKOSA-N 1 1 355.442 2.359 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891488 543252888 /nfs/dbraw/zinc/25/28/88/543252888.db2.gz OUDPXJGKTSGMIR-LLVKDONJSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891488 543252889 /nfs/dbraw/zinc/25/28/89/543252889.db2.gz OUDPXJGKTSGMIR-LLVKDONJSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106891489 543253082 /nfs/dbraw/zinc/25/30/82/543253082.db2.gz OUDPXJGKTSGMIR-NSHDSACASA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891489 543253084 /nfs/dbraw/zinc/25/30/84/543253084.db2.gz OUDPXJGKTSGMIR-NSHDSACASA-N 1 1 357.407 2.029 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000107325699 543266497 /nfs/dbraw/zinc/26/64/97/543266497.db2.gz QLEGNLLMUOUCSP-KRWDZBQOSA-N 1 1 361.446 2.229 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108403871 543288798 /nfs/dbraw/zinc/28/87/98/543288798.db2.gz CNGBBUDLBWJZST-LBPRGKRZSA-N 1 1 373.862 2.319 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000117335569 543629349 /nfs/dbraw/zinc/62/93/49/543629349.db2.gz FUYRCLGGEHJKDF-CYBMUJFWSA-N 1 1 361.398 2.394 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000123985107 543794766 /nfs/dbraw/zinc/79/47/66/543794766.db2.gz FWTQTGIYXVJOSE-YPMHNXCESA-N 1 1 353.444 2.061 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000123985107 543794768 /nfs/dbraw/zinc/79/47/68/543794768.db2.gz FWTQTGIYXVJOSE-YPMHNXCESA-N 1 1 353.444 2.061 20 5 FEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000124056769 543798959 /nfs/dbraw/zinc/79/89/59/543798959.db2.gz WYXCQZYGSYXCBA-ZJUUUORDSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1C1CC1 ZINC000124056769 543798960 /nfs/dbraw/zinc/79/89/60/543798960.db2.gz WYXCQZYGSYXCBA-ZJUUUORDSA-N 1 1 359.835 2.152 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000125332185 543875943 /nfs/dbraw/zinc/87/59/43/543875943.db2.gz RDTHLMPPGDIVHE-GDBMZVCRSA-N 1 1 359.426 2.449 20 5 FEBDMO CC(C)[C@@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1 ZINC000128248826 544041430 /nfs/dbraw/zinc/04/14/30/544041430.db2.gz SCSGPUQKELONOZ-GOSISDBHSA-N 1 1 374.441 2.092 20 5 FEBDMO CCC(CC)[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000133272861 544262493 /nfs/dbraw/zinc/26/24/93/544262493.db2.gz FLQYYJYAJOMCGV-SFHVURJKSA-N 1 1 363.458 2.391 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134934382 544328342 /nfs/dbraw/zinc/32/83/42/544328342.db2.gz OGISUJRCIUNJCZ-WMLDXEAASA-N 1 1 371.441 2.269 20 5 FEBDMO Cc1cccc(C[NH+]2CCN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000139495957 544403119 /nfs/dbraw/zinc/40/31/19/544403119.db2.gz SKOUWUWDWAFPHG-UHFFFAOYSA-N 1 1 371.441 2.179 20 5 FEBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000152299709 544636974 /nfs/dbraw/zinc/63/69/74/544636974.db2.gz HEQMZISOVCGCAP-GFCCVEGCSA-N 1 1 369.219 2.047 20 5 FEBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000153750428 544818010 /nfs/dbraw/zinc/81/80/10/544818010.db2.gz FYVANESHZHIGAR-CQSZACIVSA-N 1 1 351.403 2.024 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000153750428 544818012 /nfs/dbraw/zinc/81/80/12/544818012.db2.gz FYVANESHZHIGAR-CQSZACIVSA-N 1 1 351.403 2.024 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000153859626 544832422 /nfs/dbraw/zinc/83/24/22/544832422.db2.gz CTWAIIJODLZEDD-QGZVFWFLSA-N 1 1 358.394 2.401 20 5 FEBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)cc1Br ZINC000552491606 674212010 /nfs/dbraw/zinc/21/20/10/674212010.db2.gz VQSYVHWPTFOQNI-UHFFFAOYSA-N 1 1 368.191 2.394 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000553390769 674257508 /nfs/dbraw/zinc/25/75/08/674257508.db2.gz NRJHABZZHYCYRZ-ZDUSSCGKSA-N 1 1 370.475 2.131 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2ncccc2C(N)=O)CC1 ZINC000182863398 327791575 /nfs/dbraw/zinc/79/15/75/327791575.db2.gz HJJHKRWTFOPHJI-CQSZACIVSA-N 1 1 369.425 2.280 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000182962264 327795875 /nfs/dbraw/zinc/79/58/75/327795875.db2.gz RKGJIYBYVCZYJM-UHFFFAOYSA-N 1 1 370.406 2.306 20 5 FEBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000184221230 327857017 /nfs/dbraw/zinc/85/70/17/327857017.db2.gz DTSZWBVCLXNXJJ-DLBZAZTESA-N 1 1 368.405 2.494 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184778221 327882972 /nfs/dbraw/zinc/88/29/72/327882972.db2.gz UYDRTTJNOOCHLG-KRWDZBQOSA-N 1 1 363.458 2.344 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189143643 328130939 /nfs/dbraw/zinc/13/09/39/328130939.db2.gz LMMXWGGMJCWEMY-ZIAGYGMSSA-N 1 1 355.460 2.135 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CC1(O)CCOCC1 ZINC000189792401 328168433 /nfs/dbraw/zinc/16/84/33/328168433.db2.gz GDYIALHFNUSQPP-LLVKDONJSA-N 1 1 371.821 2.049 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(C)(C)O)C1CC1 ZINC000189869026 328172692 /nfs/dbraw/zinc/17/26/92/328172692.db2.gz KNZCWOJBLIFQHZ-UHFFFAOYSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000191413955 328264692 /nfs/dbraw/zinc/26/46/92/328264692.db2.gz UKGXNPNYGAXQOB-HNNXBMFYSA-N 1 1 363.462 2.359 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)n1 ZINC000191525788 328269851 /nfs/dbraw/zinc/26/98/51/328269851.db2.gz GLUIIHDMORQNIY-NSHDSACASA-N 1 1 363.443 2.049 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)n1 ZINC000191525788 328269853 /nfs/dbraw/zinc/26/98/53/328269853.db2.gz GLUIIHDMORQNIY-NSHDSACASA-N 1 1 363.443 2.049 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000191770021 328280643 /nfs/dbraw/zinc/28/06/43/328280643.db2.gz QCYOXEMCSYXNDO-OAHLLOKOSA-N 1 1 357.414 2.206 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000191801927 328282782 /nfs/dbraw/zinc/28/27/82/328282782.db2.gz MVKAWIZARZZKBL-INIZCTEOSA-N 1 1 371.441 2.106 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000192900556 328346007 /nfs/dbraw/zinc/34/60/07/328346007.db2.gz UXXDWUHKQYZITM-WFASDCNBSA-N 1 1 357.414 2.131 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193707165 328390513 /nfs/dbraw/zinc/39/05/13/328390513.db2.gz AZIQPSZQPFABGL-OKILXGFUSA-N 1 1 350.419 2.476 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193707165 328390514 /nfs/dbraw/zinc/39/05/14/328390514.db2.gz AZIQPSZQPFABGL-OKILXGFUSA-N 1 1 350.419 2.476 20 5 FEBDMO COc1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000193712501 328391031 /nfs/dbraw/zinc/39/10/31/328391031.db2.gz QGGNAYVPSHJPSX-MRXNPFEDSA-N 1 1 372.421 2.444 20 5 FEBDMO COc1cccc2c1CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000193712488 328391153 /nfs/dbraw/zinc/39/11/53/328391153.db2.gz QGGNAYVPSHJPSX-INIZCTEOSA-N 1 1 372.421 2.444 20 5 FEBDMO Cc1ccc([C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000010090544 324366222 /nfs/dbraw/zinc/36/62/22/324366222.db2.gz HPZNVEZJHIXWLC-MRXNPFEDSA-N 1 1 363.439 2.484 20 5 FEBDMO COc1cc(C[NH+]2CCC(CC(N)=O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000048025925 324652043 /nfs/dbraw/zinc/65/20/43/324652043.db2.gz SQTVELKFBSVASA-UHFFFAOYSA-N 1 1 373.356 2.292 20 5 FEBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000081293372 325168518 /nfs/dbraw/zinc/16/85/18/325168518.db2.gz GPJQNZHXEKDAIR-ZDUSSCGKSA-N 1 1 357.414 2.465 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000081293372 325168521 /nfs/dbraw/zinc/16/85/21/325168521.db2.gz GPJQNZHXEKDAIR-ZDUSSCGKSA-N 1 1 357.414 2.465 20 5 FEBDMO O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000081293372 325168523 /nfs/dbraw/zinc/16/85/23/325168523.db2.gz GPJQNZHXEKDAIR-ZDUSSCGKSA-N 1 1 357.414 2.465 20 5 FEBDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000081555140 325183546 /nfs/dbraw/zinc/18/35/46/325183546.db2.gz RHEGVGCXLGNQCH-VIFPVBQESA-N 1 1 361.345 2.019 20 5 FEBDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522319 325362221 /nfs/dbraw/zinc/36/22/21/325362221.db2.gz OEFUMFDRWPZANK-INIZCTEOSA-N 1 1 357.410 2.472 20 5 FEBDMO [NH3+]C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000238018128 328537974 /nfs/dbraw/zinc/53/79/74/328537974.db2.gz MYUWRXTYIJDGID-XVKPBYJWSA-N 1 1 368.242 2.307 20 5 FEBDMO CSc1ccc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000114373491 325886259 /nfs/dbraw/zinc/88/62/59/325886259.db2.gz AYOSTIFNCSOMJY-GFCCVEGCSA-N 1 1 353.444 2.157 20 5 FEBDMO COC(=O)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866777 326109748 /nfs/dbraw/zinc/10/97/48/326109748.db2.gz PMKHOUFCKBLCKV-OAHLLOKOSA-N 1 1 356.382 2.463 20 5 FEBDMO CC(C)[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(=O)N1CCOCC1 ZINC000119757287 326195066 /nfs/dbraw/zinc/19/50/66/326195066.db2.gz LEFGBFYHKYMLCE-OAHLLOKOSA-N 1 1 355.822 2.221 20 5 FEBDMO CCC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000121648036 326355074 /nfs/dbraw/zinc/35/50/74/326355074.db2.gz FLEBFNPVVQIXFK-MRXNPFEDSA-N 1 1 351.447 2.406 20 5 FEBDMO CS(=O)(=O)c1cccc(NCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000121840845 326371180 /nfs/dbraw/zinc/37/11/80/326371180.db2.gz RCCSQKBYSSHSJF-UHFFFAOYSA-N 1 1 364.427 2.186 20 5 FEBDMO Cc1c(CC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000122196944 326387581 /nfs/dbraw/zinc/38/75/81/326387581.db2.gz LEUSPHOKADKZDG-QGZVFWFLSA-N 1 1 361.442 2.159 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000122426588 326396447 /nfs/dbraw/zinc/39/64/47/326396447.db2.gz WEWOTGNAPFUIQQ-UKRRQHHQSA-N 1 1 353.444 2.008 20 5 FEBDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132291229 326590274 /nfs/dbraw/zinc/59/02/74/326590274.db2.gz YJTBAGUPJMDDFC-UHFFFAOYSA-N 1 1 373.384 2.496 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C[C@H]3CC=CCC3)CC2)c1 ZINC000159268521 326925139 /nfs/dbraw/zinc/92/51/39/326925139.db2.gz CQUPGYOYRWFNNB-HNNXBMFYSA-N 1 1 365.455 2.257 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000163579715 327054593 /nfs/dbraw/zinc/05/45/93/327054593.db2.gz PEQRQMMKINHDFX-UHFFFAOYSA-N 1 1 368.397 2.448 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000166380731 327082003 /nfs/dbraw/zinc/08/20/03/327082003.db2.gz FEZZETKBOCKNTB-UHFFFAOYSA-N 1 1 371.441 2.313 20 5 FEBDMO CCc1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000171804182 327162336 /nfs/dbraw/zinc/16/23/36/327162336.db2.gz MBIUVJOZXSJTJI-TXEJJXNPSA-N 1 1 351.451 2.367 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1C ZINC000173242043 327243582 /nfs/dbraw/zinc/24/35/82/327243582.db2.gz SZJZWHPYXWRDBP-UONOGXRCSA-N 1 1 355.460 2.172 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000173264314 327245139 /nfs/dbraw/zinc/24/51/39/327245139.db2.gz JCGJSLVKYNZFPP-YPMHNXCESA-N 1 1 359.423 2.085 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C ZINC000173284880 327246742 /nfs/dbraw/zinc/24/67/42/327246742.db2.gz YNCXELQACSXUQI-GOEBONIOSA-N 1 1 374.441 2.315 20 5 FEBDMO C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000173518300 327263343 /nfs/dbraw/zinc/26/33/43/327263343.db2.gz MEIBTFZFTLIQNN-MRXNPFEDSA-N 1 1 371.441 2.304 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173525007 327263542 /nfs/dbraw/zinc/26/35/42/327263542.db2.gz NWOFYSTWHPXPOL-AWEZNQCLSA-N 1 1 371.441 2.373 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000173818578 327286418 /nfs/dbraw/zinc/28/64/18/327286418.db2.gz XJADFVUOMKVAQP-ZDUSSCGKSA-N 1 1 365.430 2.416 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173830056 327287386 /nfs/dbraw/zinc/28/73/86/327287386.db2.gz DPKORCGBQZHCGC-DGCLKSJQSA-N 1 1 373.862 2.496 20 5 FEBDMO CCc1ccc(C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000174210886 327313279 /nfs/dbraw/zinc/31/32/79/327313279.db2.gz SSPFGTSKBFFLKW-CQSZACIVSA-N 1 1 361.442 2.483 20 5 FEBDMO CN1CCN([C@@H]2CCCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174881789 327357469 /nfs/dbraw/zinc/35/74/69/327357469.db2.gz NEDQCMOEKVLFFG-GOSISDBHSA-N 1 1 362.474 2.076 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000265132162 329094531 /nfs/dbraw/zinc/09/45/31/329094531.db2.gz RWMAZLFIIHUXLQ-UHFFFAOYSA-N 1 1 374.441 2.344 20 5 FEBDMO COc1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960577 329176850 /nfs/dbraw/zinc/17/68/50/329176850.db2.gz QBXKDJZIQWHGCK-OLZOCXBDSA-N 1 1 365.430 2.462 20 5 FEBDMO Cc1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000266083390 329188462 /nfs/dbraw/zinc/18/84/62/329188462.db2.gz GLCLHDSQBRKRTA-GFCCVEGCSA-N 1 1 368.390 2.092 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000266340044 329212960 /nfs/dbraw/zinc/21/29/60/329212960.db2.gz AGVTWAMXNXOSCY-GFCCVEGCSA-N 1 1 351.403 2.026 20 5 FEBDMO CCOc1ccc(C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000266563060 329236439 /nfs/dbraw/zinc/23/64/39/329236439.db2.gz YHTPYFIRSOVRDZ-KRWDZBQOSA-N 1 1 362.430 2.462 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000276596595 330168411 /nfs/dbraw/zinc/16/84/11/330168411.db2.gz NSHMPOLZSHPWKV-LBPRGKRZSA-N 1 1 368.865 2.170 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000291405306 330190893 /nfs/dbraw/zinc/19/08/93/330190893.db2.gz WRURYOOJRBYOIG-PBHICJAKSA-N 1 1 374.441 2.038 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000361440312 330203825 /nfs/dbraw/zinc/20/38/25/330203825.db2.gz NPSJFDMMFLQRBG-IBGZPJMESA-N 1 1 368.437 2.313 20 5 FEBDMO Cc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367182293 330226879 /nfs/dbraw/zinc/22/68/79/330226879.db2.gz YTMRTMTUXMMQOO-HNNXBMFYSA-N 1 1 356.382 2.133 20 5 FEBDMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367182293 330226881 /nfs/dbraw/zinc/22/68/81/330226881.db2.gz YTMRTMTUXMMQOO-HNNXBMFYSA-N 1 1 356.382 2.133 20 5 FEBDMO Cc1ccc(NCCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[nH+]c1 ZINC000489595256 538826586 /nfs/dbraw/zinc/82/65/86/538826586.db2.gz IIWGEEIZBQONLB-UHFFFAOYSA-N 1 1 358.354 2.259 20 5 FEBDMO CC(C)C(=O)NCC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000157633553 545762815 /nfs/dbraw/zinc/76/28/15/545762815.db2.gz UTCHXGHEKQUWCH-UHFFFAOYSA-N 1 1 360.414 2.496 20 5 FEBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000158603943 545875454 /nfs/dbraw/zinc/87/54/54/545875454.db2.gz RVMYNKOFFJRQEX-IEBWSBKVSA-N 1 1 369.421 2.208 20 5 FEBDMO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000478568659 561169867 /nfs/dbraw/zinc/16/98/67/561169867.db2.gz XKOBTQQEWQWGMW-KBPBESRZSA-N 1 1 372.429 2.168 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000160212422 546017599 /nfs/dbraw/zinc/01/75/99/546017599.db2.gz VDWGDFAACFXZON-OAHLLOKOSA-N 1 1 369.487 2.321 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000478904998 561177801 /nfs/dbraw/zinc/17/78/01/561177801.db2.gz URSPAPSMPMYCRE-UHFFFAOYSA-N 1 1 362.365 2.258 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175859927 546362991 /nfs/dbraw/zinc/36/29/91/546362991.db2.gz PJGLATFFRCRKPV-CQSZACIVSA-N 1 1 352.435 2.232 20 5 FEBDMO Cc1c(CNC(=O)N2CC[NH+](CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000480071772 561202541 /nfs/dbraw/zinc/20/25/41/561202541.db2.gz XIEGIMKCUMLOKY-UHFFFAOYSA-N 1 1 364.446 2.155 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000176287135 546427729 /nfs/dbraw/zinc/42/77/29/546427729.db2.gz BHMMFSVDWDDAOG-ZFWWWQNUSA-N 1 1 364.446 2.232 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3N)CC2)[nH+]1 ZINC000178201567 546756444 /nfs/dbraw/zinc/75/64/44/546756444.db2.gz FJRZYZMBTABXOV-UHFFFAOYSA-N 1 1 355.398 2.279 20 5 FEBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000481829954 561243408 /nfs/dbraw/zinc/24/34/08/561243408.db2.gz MZBLZMMYPFELSH-FUHWJXTLSA-N 1 1 357.385 2.490 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000180006744 547038188 /nfs/dbraw/zinc/03/81/88/547038188.db2.gz ZFYKHPHWNICIJS-UHFFFAOYSA-N 1 1 363.458 2.439 20 5 FEBDMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482691874 561258601 /nfs/dbraw/zinc/25/86/01/561258601.db2.gz RWQSQMBAZFMTLM-ZDUSSCGKSA-N 1 1 357.414 2.209 20 5 FEBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482691874 561258602 /nfs/dbraw/zinc/25/86/02/561258602.db2.gz RWQSQMBAZFMTLM-ZDUSSCGKSA-N 1 1 357.414 2.209 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000483033051 561265383 /nfs/dbraw/zinc/26/53/83/561265383.db2.gz RJTQTDNRULCUPY-DYVFJYSZSA-N 1 1 363.414 2.192 20 5 FEBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cn1 ZINC000181327042 547294554 /nfs/dbraw/zinc/29/45/54/547294554.db2.gz FZLQYBQSYUCGJM-CQSZACIVSA-N 1 1 371.422 2.330 20 5 FEBDMO CC(C)[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000182184846 547449439 /nfs/dbraw/zinc/44/94/39/547449439.db2.gz YMSMJNQBPICSQA-UHFFFAOYSA-N 1 1 356.444 2.258 20 5 FEBDMO COC(=O)[C@@H](C)[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000484487576 561298527 /nfs/dbraw/zinc/29/85/27/561298527.db2.gz DLLATGUBJRKUAG-GFCCVEGCSA-N 1 1 352.387 2.398 20 5 FEBDMO COC(=O)[C@@H](C)[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000484487576 561298528 /nfs/dbraw/zinc/29/85/28/561298528.db2.gz DLLATGUBJRKUAG-GFCCVEGCSA-N 1 1 352.387 2.398 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183878258 547733551 /nfs/dbraw/zinc/73/35/51/547733551.db2.gz XJXDTGGHLSGTKT-KBPBESRZSA-N 1 1 363.414 2.397 20 5 FEBDMO COc1cc(CN2CCC([N@@H+](C)CCCO)CC2)c([N+](=O)[O-])cc1F ZINC000184216586 547788846 /nfs/dbraw/zinc/78/88/46/547788846.db2.gz VUAZDVMJIMHQSB-UHFFFAOYSA-N 1 1 355.410 2.021 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184318888 547807080 /nfs/dbraw/zinc/80/70/80/547807080.db2.gz ATYMXIOGVZBYSW-IYOXOMEYSA-N 1 1 360.458 2.140 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000184379341 547817163 /nfs/dbraw/zinc/81/71/63/547817163.db2.gz AXJBXNZXFRZGRH-LBPRGKRZSA-N 1 1 354.838 2.004 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000185227754 547955108 /nfs/dbraw/zinc/95/51/08/547955108.db2.gz PDWYXOYUEFJHDI-DOMZBBRYSA-N 1 1 371.434 2.147 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185328110 547970705 /nfs/dbraw/zinc/97/07/05/547970705.db2.gz OHDCABWEBJIMIR-KRWDZBQOSA-N 1 1 371.441 2.127 20 5 FEBDMO CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193998150 548419126 /nfs/dbraw/zinc/41/91/26/548419126.db2.gz GWVDXIUXONEYJG-INIZCTEOSA-N 1 1 370.409 2.432 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000486646863 561353242 /nfs/dbraw/zinc/35/32/42/561353242.db2.gz QEEGHXPVFJLXTR-HNNXBMFYSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000486646863 561353243 /nfs/dbraw/zinc/35/32/43/561353243.db2.gz QEEGHXPVFJLXTR-HNNXBMFYSA-N 1 1 355.460 2.172 20 5 FEBDMO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876075 561358792 /nfs/dbraw/zinc/35/87/92/561358792.db2.gz BLKBPLFXSIHDLR-GWCFXTLKSA-N 1 1 364.402 2.294 20 5 FEBDMO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876078 561358834 /nfs/dbraw/zinc/35/88/34/561358834.db2.gz BLKBPLFXSIHDLR-ZWNOBZJWSA-N 1 1 364.402 2.294 20 5 FEBDMO Cc1cccc2[nH+]c(Cn3c(=O)onc3-c3ccc([N+](=O)[O-])cc3)cn21 ZINC000195197641 548595451 /nfs/dbraw/zinc/59/54/51/548595451.db2.gz FHJFBXZDIUUDIS-UHFFFAOYSA-N 1 1 351.322 2.416 20 5 FEBDMO Cc1cc(NC[C@H]2C[N@H+](C)CCN2C)c(Br)cc1[N+](=O)[O-] ZINC000234348478 548764621 /nfs/dbraw/zinc/76/46/21/548764621.db2.gz VXTAVSVJAUHTFF-NSHDSACASA-N 1 1 357.252 2.323 20 5 FEBDMO [NH3+]C[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237804765 548854123 /nfs/dbraw/zinc/85/41/23/548854123.db2.gz MYUWRXTYIJDGID-XCBNKYQSSA-N 1 1 368.242 2.307 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000245522086 548938165 /nfs/dbraw/zinc/93/81/65/548938165.db2.gz LKWRNXKCTVVMIT-GDBMZVCRSA-N 1 1 367.471 2.464 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000245522086 548938167 /nfs/dbraw/zinc/93/81/67/548938167.db2.gz LKWRNXKCTVVMIT-GDBMZVCRSA-N 1 1 367.471 2.464 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245660568 548969516 /nfs/dbraw/zinc/96/95/16/548969516.db2.gz PPFGVSPBNZFANO-IAGOWNOFSA-N 1 1 368.393 2.095 20 5 FEBDMO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1n1ccnc1 ZINC000245686949 548975061 /nfs/dbraw/zinc/97/50/61/548975061.db2.gz PTDMCJOSZCHPPT-RDTXWAMCSA-N 1 1 369.425 2.264 20 5 FEBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1n1ccnc1 ZINC000245686949 548975066 /nfs/dbraw/zinc/97/50/66/548975066.db2.gz PTDMCJOSZCHPPT-RDTXWAMCSA-N 1 1 369.425 2.264 20 5 FEBDMO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246223522 549082761 /nfs/dbraw/zinc/08/27/61/549082761.db2.gz ZPPGYRUFXOUIFW-QAPCUYQASA-N 1 1 369.425 2.306 20 5 FEBDMO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246223522 549082763 /nfs/dbraw/zinc/08/27/63/549082763.db2.gz ZPPGYRUFXOUIFW-QAPCUYQASA-N 1 1 369.425 2.306 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246516298 549151288 /nfs/dbraw/zinc/15/12/88/549151288.db2.gz UKIXOOXWDATOOZ-XJKSGUPXSA-N 1 1 364.446 2.475 20 5 FEBDMO CCOC(=O)c1ccnc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488724850 561395443 /nfs/dbraw/zinc/39/54/43/561395443.db2.gz ZQCOVAQKPRRWNH-GZBFAFLISA-N 1 1 362.430 2.333 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@H](C)O ZINC000246830218 549223523 /nfs/dbraw/zinc/22/35/23/549223523.db2.gz LURUJBAERPQCKK-SMDDNHRTSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000246830218 549223527 /nfs/dbraw/zinc/22/35/27/549223527.db2.gz LURUJBAERPQCKK-SMDDNHRTSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000246960769 549252305 /nfs/dbraw/zinc/25/23/05/549252305.db2.gz BQKKXQNWMJQSKH-GJZGRUSLSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@H](O)CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000246960769 549252309 /nfs/dbraw/zinc/25/23/09/549252309.db2.gz BQKKXQNWMJQSKH-GJZGRUSLSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@H](O)CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C ZINC000246960769 549252312 /nfs/dbraw/zinc/25/23/12/549252312.db2.gz BQKKXQNWMJQSKH-GJZGRUSLSA-N 1 1 374.441 2.179 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000248473709 549447545 /nfs/dbraw/zinc/44/75/45/549447545.db2.gz LCWXHGXICRXFQJ-IUODEOHRSA-N 1 1 371.434 2.147 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000248603839 549467140 /nfs/dbraw/zinc/46/71/40/549467140.db2.gz JMWNSDODTHDMPC-UONOGXRCSA-N 1 1 361.446 2.299 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000248897194 549524384 /nfs/dbraw/zinc/52/43/84/549524384.db2.gz ZZBHHDQGZGKUCE-CHWSQXEVSA-N 1 1 362.430 2.078 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000249130896 549558007 /nfs/dbraw/zinc/55/80/07/549558007.db2.gz UUWLIFXJTDZYNH-ZFWWWQNUSA-N 1 1 363.414 2.363 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249181783 549565512 /nfs/dbraw/zinc/56/55/12/549565512.db2.gz NILABHXGIIGGQW-DZGCQCFKSA-N 1 1 362.430 2.030 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000249745647 549623545 /nfs/dbraw/zinc/62/35/45/549623545.db2.gz MZHGZDBOWQZSGW-VNHYZAJKSA-N 1 1 365.405 2.448 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000249745647 549623550 /nfs/dbraw/zinc/62/35/50/549623550.db2.gz MZHGZDBOWQZSGW-VNHYZAJKSA-N 1 1 365.405 2.448 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000252205912 549663155 /nfs/dbraw/zinc/66/31/55/549663155.db2.gz VCKSCLDFEYQHHL-QWHCGFSZSA-N 1 1 363.414 2.232 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000253554028 549695412 /nfs/dbraw/zinc/69/54/12/549695412.db2.gz MERHTPXYRYDQPK-YVEFUNNKSA-N 1 1 370.409 2.405 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1SC ZINC000490095185 561426422 /nfs/dbraw/zinc/42/64/22/561426422.db2.gz YFJSAFVYIISXFC-SNVBAGLBSA-N 1 1 351.428 2.292 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000490242170 561429513 /nfs/dbraw/zinc/42/95/13/561429513.db2.gz GWCZJAFHPKGNED-MRXNPFEDSA-N 1 1 352.822 2.485 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263655689 549914243 /nfs/dbraw/zinc/91/42/43/549914243.db2.gz IGMBMIRIQWNXFZ-LLVKDONJSA-N 1 1 369.805 2.272 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000263655689 549914245 /nfs/dbraw/zinc/91/42/45/549914245.db2.gz IGMBMIRIQWNXFZ-LLVKDONJSA-N 1 1 369.805 2.272 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000490768306 561438333 /nfs/dbraw/zinc/43/83/33/561438333.db2.gz JPMWHHQVNCWRNQ-UHFFFAOYSA-N 1 1 363.458 2.178 20 5 FEBDMO Cc1c(C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000269618593 550211302 /nfs/dbraw/zinc/21/13/02/550211302.db2.gz DIBQBTMUXWMQBX-CYBMUJFWSA-N 1 1 367.413 2.052 20 5 FEBDMO Cc1c(C[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000269618593 550211304 /nfs/dbraw/zinc/21/13/04/550211304.db2.gz DIBQBTMUXWMQBX-CYBMUJFWSA-N 1 1 367.413 2.052 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000270872175 550316253 /nfs/dbraw/zinc/31/62/53/550316253.db2.gz MVNNPXUTMPLHHL-UHFFFAOYSA-N 1 1 372.425 2.062 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000271697247 550395915 /nfs/dbraw/zinc/39/59/15/550395915.db2.gz KERYOIXFIZLPCS-ZDUSSCGKSA-N 1 1 362.430 2.141 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272409714 550445282 /nfs/dbraw/zinc/44/52/82/550445282.db2.gz KZDCMXJIMZJQKY-ABAIWWIYSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272409714 550445283 /nfs/dbraw/zinc/44/52/83/550445283.db2.gz KZDCMXJIMZJQKY-ABAIWWIYSA-N 1 1 373.862 2.271 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000272571126 550458627 /nfs/dbraw/zinc/45/86/27/550458627.db2.gz LGOUUQODUJRDGR-ABAIWWIYSA-N 1 1 352.822 2.484 20 5 FEBDMO C[N@@H+]1CC=C(CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000272591214 550459656 /nfs/dbraw/zinc/45/96/56/550459656.db2.gz WKKNJUSFNTYMQG-UHFFFAOYSA-N 1 1 352.822 2.352 20 5 FEBDMO C[N@H+]1CCCN(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])[nH]4)n3)cn2)CC1 ZINC000273904663 550515263 /nfs/dbraw/zinc/51/52/63/550515263.db2.gz QCAQHHOBISEGLE-UHFFFAOYSA-N 1 1 369.385 2.177 20 5 FEBDMO Cc1cc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)on1 ZINC000274875514 550561940 /nfs/dbraw/zinc/56/19/40/550561940.db2.gz YFIBODSLJRCYMP-UHFFFAOYSA-N 1 1 356.386 2.480 20 5 FEBDMO COC(=O)c1cnc(Nc2ccc(N3CCOCC3)[nH+]c2C)c([N+](=O)[O-])c1 ZINC000276705383 550587329 /nfs/dbraw/zinc/58/73/29/550587329.db2.gz ISHBEJBFSHETIC-UHFFFAOYSA-N 1 1 373.369 2.060 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000277581325 550687218 /nfs/dbraw/zinc/68/72/18/550687218.db2.gz UCNFJJTUPVGLTC-CYBMUJFWSA-N 1 1 366.418 2.226 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc([N+](=O)[O-])c1OC ZINC000277630183 550694290 /nfs/dbraw/zinc/69/42/90/550694290.db2.gz XCOAFOSQGIGHNV-AWEZNQCLSA-N 1 1 363.414 2.359 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000277839132 550720291 /nfs/dbraw/zinc/72/02/91/550720291.db2.gz RWKPZELSAREFQX-CQSZACIVSA-N 1 1 372.385 2.166 20 5 FEBDMO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278045234 550742615 /nfs/dbraw/zinc/74/26/15/550742615.db2.gz LKOWUSIJLRLCJW-HIFRSBDPSA-N 1 1 370.409 2.336 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000278549484 550797960 /nfs/dbraw/zinc/79/79/60/550797960.db2.gz OMFKZAPFMNYHFL-LBPRGKRZSA-N 1 1 355.822 2.479 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000279927764 550943782 /nfs/dbraw/zinc/94/37/82/550943782.db2.gz WPLPOAYSGUEEHH-OLZOCXBDSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000279927764 550943783 /nfs/dbraw/zinc/94/37/83/550943783.db2.gz WPLPOAYSGUEEHH-OLZOCXBDSA-N 1 1 351.403 2.167 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000281156226 551069059 /nfs/dbraw/zinc/06/90/59/551069059.db2.gz LAAFJTAUAIFJTM-BETUJISGSA-N 1 1 366.418 2.078 20 5 FEBDMO CC(C)(C)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCS(C)(=O)=O ZINC000281854855 551148807 /nfs/dbraw/zinc/14/88/07/551148807.db2.gz ACTFHFCORHYWDX-UHFFFAOYSA-N 1 1 371.459 2.069 20 5 FEBDMO CS(=O)(=O)c1cccc(NC[C@@H]2CCCn3cc[nH+]c32)c1[N+](=O)[O-] ZINC000497531415 561503162 /nfs/dbraw/zinc/50/31/62/561503162.db2.gz GFPRLVADZRPWQG-NSHDSACASA-N 1 1 350.400 2.184 20 5 FEBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCCS(=O)(=O)C3)CC2)cc1 ZINC000283912016 551448610 /nfs/dbraw/zinc/44/86/10/551448610.db2.gz BWPVEOOGJRMYLF-CQSZACIVSA-N 1 1 368.455 2.263 20 5 FEBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285417456 551752957 /nfs/dbraw/zinc/75/29/57/551752957.db2.gz BRNMXFJRMWULDT-HRCADAONSA-N 1 1 352.431 2.350 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000285624354 551784971 /nfs/dbraw/zinc/78/49/71/551784971.db2.gz NBCJXSBUFMIXRZ-LJQANCHMSA-N 1 1 369.421 2.476 20 5 FEBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1Cc1ccccc1 ZINC000285687447 551795360 /nfs/dbraw/zinc/79/53/60/551795360.db2.gz AEHAIABVJFBGAN-INIZCTEOSA-N 1 1 354.410 2.176 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@@H]1Cc1ccccc1 ZINC000285687447 551795363 /nfs/dbraw/zinc/79/53/63/551795363.db2.gz AEHAIABVJFBGAN-INIZCTEOSA-N 1 1 354.410 2.176 20 5 FEBDMO CCOC1CC([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000287023502 551953029 /nfs/dbraw/zinc/95/30/29/551953029.db2.gz ROOAFXGBRKWBOD-UHFFFAOYSA-N 1 1 351.403 2.431 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000288304593 552129195 /nfs/dbraw/zinc/12/91/95/552129195.db2.gz CGKCCGDAOOGKBI-CQSZACIVSA-N 1 1 373.461 2.137 20 5 FEBDMO COCCOCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000288761964 552207792 /nfs/dbraw/zinc/20/77/92/552207792.db2.gz HJKKHVDGKQNHGO-GFCCVEGCSA-N 1 1 350.375 2.301 20 5 FEBDMO COCCOCC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000288761964 552207793 /nfs/dbraw/zinc/20/77/93/552207793.db2.gz HJKKHVDGKQNHGO-GFCCVEGCSA-N 1 1 350.375 2.301 20 5 FEBDMO CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500004170 561563873 /nfs/dbraw/zinc/56/38/73/561563873.db2.gz KIPWJYLTJBSQTA-WBVHZDCISA-N 1 1 371.441 2.475 20 5 FEBDMO CCC[C@@]1(CO)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000288915230 552235915 /nfs/dbraw/zinc/23/59/15/552235915.db2.gz UMBUZBVSZAYSFR-QGZVFWFLSA-N 1 1 351.403 2.026 20 5 FEBDMO CCC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000288915230 552235917 /nfs/dbraw/zinc/23/59/17/552235917.db2.gz UMBUZBVSZAYSFR-QGZVFWFLSA-N 1 1 351.403 2.026 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1[C@@H]1CCCO1 ZINC000289377690 552310897 /nfs/dbraw/zinc/31/08/97/552310897.db2.gz BICRQUZIQALIJG-XIRDDKMYSA-N 1 1 350.415 2.224 20 5 FEBDMO COc1ccc(-c2ccc(C[NH2+][C@H](C)C(=O)NCCF)o2)c([N+](=O)[O-])c1 ZINC000500425784 561572660 /nfs/dbraw/zinc/57/26/60/561572660.db2.gz GTWZOTXFPHIPMV-LLVKDONJSA-N 1 1 365.361 2.427 20 5 FEBDMO CCC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000500479192 561574542 /nfs/dbraw/zinc/57/45/42/561574542.db2.gz NOCWDJLCKQKUKS-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289771077 552375993 /nfs/dbraw/zinc/37/59/93/552375993.db2.gz GLBLNMGPVFLCPY-LSDHHAIUSA-N 1 1 366.805 2.131 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000290454308 552481624 /nfs/dbraw/zinc/48/16/24/552481624.db2.gz DUEZODXPAANFJE-UHFFFAOYSA-N 1 1 372.429 2.110 20 5 FEBDMO CC[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291013068 552575965 /nfs/dbraw/zinc/57/59/65/552575965.db2.gz WNQJXLPSDMDSLV-OAHLLOKOSA-N 1 1 369.425 2.190 20 5 FEBDMO C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292302089 552713614 /nfs/dbraw/zinc/71/36/14/552713614.db2.gz DFXPKYKJXBCXFA-RHSMWYFYSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H]1[C@H](N(C)CCO)CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292302089 552713616 /nfs/dbraw/zinc/71/36/16/552713616.db2.gz DFXPKYKJXBCXFA-RHSMWYFYSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H]1[C@H](N(C)CCO)CC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292302089 552713617 /nfs/dbraw/zinc/71/36/17/552713617.db2.gz DFXPKYKJXBCXFA-RHSMWYFYSA-N 1 1 374.441 2.179 20 5 FEBDMO Cc1cc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)ncn1 ZINC000293246685 552802887 /nfs/dbraw/zinc/80/28/87/552802887.db2.gz RIHKPWCTHXAXMF-UHFFFAOYSA-N 1 1 367.413 2.282 20 5 FEBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+](C2CCC2)C1 ZINC000293790576 552856789 /nfs/dbraw/zinc/85/67/89/552856789.db2.gz WTVJZLURTMFPIS-ZDUSSCGKSA-N 1 1 365.405 2.446 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)C(C)(C)c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293948825 552870124 /nfs/dbraw/zinc/87/01/24/552870124.db2.gz RTTCIAWZDUUQPL-DLBZAZTESA-N 1 1 361.442 2.194 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+](C2CC2)C1 ZINC000295367258 552994878 /nfs/dbraw/zinc/99/48/78/552994878.db2.gz ONOPFUBMLMNXRQ-GFCCVEGCSA-N 1 1 364.421 2.356 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295461564 553010655 /nfs/dbraw/zinc/01/06/55/553010655.db2.gz FNSXFEOHZYEVHI-UONOGXRCSA-N 1 1 355.394 2.384 20 5 FEBDMO CC(C)(C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000295643620 553038450 /nfs/dbraw/zinc/03/84/50/553038450.db2.gz PRIPTJWQKKWGEZ-ZDUSSCGKSA-N 1 1 362.430 2.147 20 5 FEBDMO CC(C)(C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000295643620 553038452 /nfs/dbraw/zinc/03/84/52/553038452.db2.gz PRIPTJWQKKWGEZ-ZDUSSCGKSA-N 1 1 362.430 2.147 20 5 FEBDMO CC[C@H](CO)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000295800213 553060693 /nfs/dbraw/zinc/06/06/93/553060693.db2.gz VWWFONCCHDWUGB-GFCCVEGCSA-N 1 1 364.427 2.360 20 5 FEBDMO CC[C@H](CO)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000295800213 553060694 /nfs/dbraw/zinc/06/06/94/553060694.db2.gz VWWFONCCHDWUGB-GFCCVEGCSA-N 1 1 364.427 2.360 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000295947144 553079704 /nfs/dbraw/zinc/07/97/04/553079704.db2.gz UCJCOSOIGRBKFP-UHFFFAOYSA-N 1 1 355.822 2.351 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@](C)(COC)C2)c([N+](=O)[O-])c1 ZINC000296523255 553173432 /nfs/dbraw/zinc/17/34/32/553173432.db2.gz ALINPBMXHFMQKC-KRWDZBQOSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@](C)(COC)C2)c([N+](=O)[O-])c1 ZINC000296523255 553173435 /nfs/dbraw/zinc/17/34/35/553173435.db2.gz ALINPBMXHFMQKC-KRWDZBQOSA-N 1 1 351.403 2.290 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000297837475 553345224 /nfs/dbraw/zinc/34/52/24/553345224.db2.gz KHQCBXRTXXAKFB-AWEZNQCLSA-N 1 1 362.430 2.141 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000297988869 553367398 /nfs/dbraw/zinc/36/73/98/553367398.db2.gz AGEVCZIDASZSGL-MRXNPFEDSA-N 1 1 363.414 2.311 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000298284027 553407691 /nfs/dbraw/zinc/40/76/91/553407691.db2.gz XGAAAEBKFKDMCB-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000298981862 553498717 /nfs/dbraw/zinc/49/87/17/553498717.db2.gz HLXYHVPFYFBCHK-CABCVRRESA-N 1 1 355.398 2.137 20 5 FEBDMO COC(=O)CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000299222201 553532681 /nfs/dbraw/zinc/53/26/81/553532681.db2.gz IQMLYXGVUJRVGI-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000299419040 553560873 /nfs/dbraw/zinc/56/08/73/553560873.db2.gz TUAMIIQLQIJQBW-AWEZNQCLSA-N 1 1 365.821 2.172 20 5 FEBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000504414015 561657821 /nfs/dbraw/zinc/65/78/21/561657821.db2.gz AXDFATFPLPENQH-CQSZACIVSA-N 1 1 363.458 2.176 20 5 FEBDMO Cc1cc([N+](=O)[O-])cnc1N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000301303489 553640460 /nfs/dbraw/zinc/64/04/60/553640460.db2.gz WQZYWLYFGNNHMR-OAHLLOKOSA-N 1 1 356.430 2.316 20 5 FEBDMO COc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)ccc1[N+](=O)[O-] ZINC000301351787 553644470 /nfs/dbraw/zinc/64/44/70/553644470.db2.gz KGFASSOYSYUWLB-MRXNPFEDSA-N 1 1 353.444 2.223 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000301444605 553652213 /nfs/dbraw/zinc/65/22/13/553652213.db2.gz VEXYYXPCXGUPCG-HIFRSBDPSA-N 1 1 371.441 2.478 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000301730910 553675590 /nfs/dbraw/zinc/67/55/90/553675590.db2.gz XLSBJZFHYNUYKJ-JSGCOSHPSA-N 1 1 364.402 2.224 20 5 FEBDMO O=[N+]([O-])c1c(NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)nc2sccn21 ZINC000301840042 553684422 /nfs/dbraw/zinc/68/44/22/553684422.db2.gz ADNKTMMFELIWFK-ZIAGYGMSSA-N 1 1 373.438 2.351 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301913381 553691314 /nfs/dbraw/zinc/69/13/14/553691314.db2.gz CMPYCXYSLPFFTM-KRWDZBQOSA-N 1 1 369.425 2.062 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301970342 553695044 /nfs/dbraw/zinc/69/50/44/553695044.db2.gz RHYLMJZLEDZGNK-QGZVFWFLSA-N 1 1 369.425 2.062 20 5 FEBDMO Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437109 553716790 /nfs/dbraw/zinc/71/67/90/553716790.db2.gz MMABKGSWFIOKBT-CABCVRRESA-N 1 1 371.441 2.252 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302602302 553723178 /nfs/dbraw/zinc/72/31/78/553723178.db2.gz CKFLDVQUIQTAQZ-CYBMUJFWSA-N 1 1 355.460 2.309 20 5 FEBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000327750197 553791053 /nfs/dbraw/zinc/79/10/53/553791053.db2.gz MFYOMIFBXDVYDZ-AWEZNQCLSA-N 1 1 351.378 2.061 20 5 FEBDMO Cn1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507388694 561727721 /nfs/dbraw/zinc/72/77/21/561727721.db2.gz LKMVEYZVWRDQRO-GOEBONIOSA-N 1 1 369.425 2.352 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662760 562419769 /nfs/dbraw/zinc/41/97/69/562419769.db2.gz NXUIKOHITLHVPX-HLLBOEOZSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662760 562419770 /nfs/dbraw/zinc/41/97/70/562419770.db2.gz NXUIKOHITLHVPX-HLLBOEOZSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662760 562419771 /nfs/dbraw/zinc/41/97/71/562419771.db2.gz NXUIKOHITLHVPX-HLLBOEOZSA-N 1 1 351.447 2.139 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000507375331 561727074 /nfs/dbraw/zinc/72/70/74/561727074.db2.gz BEHBIXJCQZXWHT-CQSZACIVSA-N 1 1 350.419 2.135 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331052508 554206935 /nfs/dbraw/zinc/20/69/35/554206935.db2.gz YUUIYIQXNCPLGI-LBPRGKRZSA-N 1 1 361.851 2.399 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331381429 554254019 /nfs/dbraw/zinc/25/40/19/554254019.db2.gz MWKXPZFZDQICKY-HNNXBMFYSA-N 1 1 374.441 2.176 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331381429 554254027 /nfs/dbraw/zinc/25/40/27/554254027.db2.gz MWKXPZFZDQICKY-HNNXBMFYSA-N 1 1 374.441 2.176 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000331655943 554302817 /nfs/dbraw/zinc/30/28/17/554302817.db2.gz LMQFSQNOUKBCJV-ZACQAIPSSA-N 1 1 361.442 2.429 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000331655943 554302822 /nfs/dbraw/zinc/30/28/22/554302822.db2.gz LMQFSQNOUKBCJV-ZACQAIPSSA-N 1 1 361.442 2.429 20 5 FEBDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332070976 554373729 /nfs/dbraw/zinc/37/37/29/554373729.db2.gz WNVMIEFRABIILV-IPYPFGDCSA-N 1 1 363.414 2.374 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572363 554474261 /nfs/dbraw/zinc/47/42/61/554474261.db2.gz DTNWCQWBJCPCIM-HUUCEWRRSA-N 1 1 367.471 2.459 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000511491548 561870909 /nfs/dbraw/zinc/87/09/09/561870909.db2.gz GOKFKUQLECLAIK-NKHHLTQSSA-N 1 1 361.442 2.471 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000361491484 554921978 /nfs/dbraw/zinc/92/19/78/554921978.db2.gz VIDLZFORMYNILK-NVXWUHKLSA-N 1 1 371.441 2.160 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361831568 554936959 /nfs/dbraw/zinc/93/69/59/554936959.db2.gz VAXSTZVEDMQZBR-CJNGLKHVSA-N 1 1 369.425 2.411 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000363196270 555050950 /nfs/dbraw/zinc/05/09/50/555050950.db2.gz NVVYBOKOAMOEJI-OAHLLOKOSA-N 1 1 374.441 2.447 20 5 FEBDMO O=C(c1ccncc1)N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000363394497 555093981 /nfs/dbraw/zinc/09/39/81/555093981.db2.gz BFCJRBNFIKZPAT-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO O=C(c1ccncc1)N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000363394497 555093984 /nfs/dbraw/zinc/09/39/84/555093984.db2.gz BFCJRBNFIKZPAT-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000511922273 561885809 /nfs/dbraw/zinc/88/58/09/561885809.db2.gz JZWGNTGBRLNNCK-CQSZACIVSA-N 1 1 360.366 2.195 20 5 FEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000511922273 561885810 /nfs/dbraw/zinc/88/58/10/561885810.db2.gz JZWGNTGBRLNNCK-CQSZACIVSA-N 1 1 360.366 2.195 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000364067518 555243732 /nfs/dbraw/zinc/24/37/32/555243732.db2.gz HDGQAKYKLNKZKE-UHFFFAOYSA-N 1 1 372.425 2.062 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000364221273 555273300 /nfs/dbraw/zinc/27/33/00/555273300.db2.gz NNXDEMBCDGQNDC-OAHLLOKOSA-N 1 1 371.441 2.317 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000364322091 555290681 /nfs/dbraw/zinc/29/06/81/555290681.db2.gz DMDYZVXFFHDKCE-UONOGXRCSA-N 1 1 352.387 2.016 20 5 FEBDMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343932 555295543 /nfs/dbraw/zinc/29/55/43/555295543.db2.gz PULYLNSJLUHMLQ-LZQZEXGQSA-N 1 1 363.458 2.453 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000364644359 555361065 /nfs/dbraw/zinc/36/10/65/555361065.db2.gz GSONRGWHGRWRCS-UHFFFAOYSA-N 1 1 373.251 2.035 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1[N+](=O)[O-] ZINC000512873714 561918562 /nfs/dbraw/zinc/91/85/62/561918562.db2.gz DSTOVEUMRUFPFP-KRWDZBQOSA-N 1 1 374.397 2.121 20 5 FEBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCc2ccccc21 ZINC000365121775 555490060 /nfs/dbraw/zinc/49/00/60/555490060.db2.gz JVKMMYQYGDMOSX-UHFFFAOYSA-N 1 1 355.398 2.018 20 5 FEBDMO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000513183035 561928263 /nfs/dbraw/zinc/92/82/63/561928263.db2.gz JINWLTHXTKSFNV-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000513183035 561928265 /nfs/dbraw/zinc/92/82/65/561928265.db2.gz JINWLTHXTKSFNV-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(-n3cncn3)c2)c([N+](=O)[O-])c1 ZINC000365818144 555674174 /nfs/dbraw/zinc/67/41/74/555674174.db2.gz IYHMPYYPWSSTGF-UHFFFAOYSA-N 1 1 354.326 2.374 20 5 FEBDMO Nc1nccc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000366011341 555727075 /nfs/dbraw/zinc/72/70/75/555727075.db2.gz UAOXXTFOBPTBGM-ZDUSSCGKSA-N 1 1 370.413 2.175 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513678733 561946661 /nfs/dbraw/zinc/94/66/61/561946661.db2.gz RPHXZTLOATWTNR-BVGQSLNGSA-N 1 1 355.442 2.490 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366198509 555779196 /nfs/dbraw/zinc/77/91/96/555779196.db2.gz VAGKLMUGGAOBTH-LLVKDONJSA-N 1 1 373.276 2.380 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514172226 561962344 /nfs/dbraw/zinc/96/23/44/561962344.db2.gz MXPNCCYGGYAKDP-LBPRGKRZSA-N 1 1 360.336 2.365 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000366806575 555938947 /nfs/dbraw/zinc/93/89/47/555938947.db2.gz WTWMRCDDXGCMDW-KRWDZBQOSA-N 1 1 371.441 2.304 20 5 FEBDMO COCCC[N@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000367420973 556044082 /nfs/dbraw/zinc/04/40/82/556044082.db2.gz WXKDAYZNXWLIJM-UHFFFAOYSA-N 1 1 351.432 2.148 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830703 556149216 /nfs/dbraw/zinc/14/92/16/556149216.db2.gz IHWDFFPQHLRFEN-WBVHZDCISA-N 1 1 363.458 2.283 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000368318570 556277012 /nfs/dbraw/zinc/27/70/12/556277012.db2.gz MYHTWLFSBLDQRW-JRJUITNWSA-N 1 1 372.469 2.237 20 5 FEBDMO Cc1[nH+]c(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)c2n1CCCC2 ZINC000368466118 556318541 /nfs/dbraw/zinc/31/85/41/556318541.db2.gz KFIDCTDWQPKBRR-UHFFFAOYSA-N 1 1 357.414 2.478 20 5 FEBDMO C[N@H+]1CCCC12CCN([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000368611123 556361620 /nfs/dbraw/zinc/36/16/20/556361620.db2.gz HBDUBNCUEBWAGC-KRWDZBQOSA-N 1 1 358.442 2.260 20 5 FEBDMO COc1cc(CN2CCC[N@@H+](CC(C)(C)O)CC2)c([N+](=O)[O-])cc1F ZINC000368809073 556418939 /nfs/dbraw/zinc/41/89/39/556418939.db2.gz GABJIDAKPHKEAJ-UHFFFAOYSA-N 1 1 355.410 2.021 20 5 FEBDMO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017829 556477381 /nfs/dbraw/zinc/47/73/81/556477381.db2.gz JBPSBTNQQBFLJH-DOTOQJQBSA-N 1 1 371.441 2.475 20 5 FEBDMO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017829 556477382 /nfs/dbraw/zinc/47/73/82/556477382.db2.gz JBPSBTNQQBFLJH-DOTOQJQBSA-N 1 1 371.441 2.475 20 5 FEBDMO CCCN1CC[NH+](C2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000369155378 556519671 /nfs/dbraw/zinc/51/96/71/556519671.db2.gz KUEIINPOYKRFMO-UHFFFAOYSA-N 1 1 366.487 2.289 20 5 FEBDMO Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000369510527 556615460 /nfs/dbraw/zinc/61/54/60/556615460.db2.gz GLYWJNWYCHYYDU-MRXNPFEDSA-N 1 1 369.425 2.474 20 5 FEBDMO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000369938049 556735740 /nfs/dbraw/zinc/73/57/40/556735740.db2.gz SISOFRXTGUCEQQ-INIZCTEOSA-N 1 1 360.458 2.056 20 5 FEBDMO CCc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000369938049 556735744 /nfs/dbraw/zinc/73/57/44/556735744.db2.gz SISOFRXTGUCEQQ-INIZCTEOSA-N 1 1 360.458 2.056 20 5 FEBDMO Cn1cc(C[C@@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370013396 556757787 /nfs/dbraw/zinc/75/77/87/556757787.db2.gz VWYKGHVWVLAOAM-AWEZNQCLSA-N 1 1 357.414 2.222 20 5 FEBDMO C[C@H](NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccs1 ZINC000370062399 556770443 /nfs/dbraw/zinc/77/04/43/556770443.db2.gz YMYUNTKXQYTOJL-LBPRGKRZSA-N 1 1 363.443 2.367 20 5 FEBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370554609 556907563 /nfs/dbraw/zinc/90/75/63/556907563.db2.gz CYXPDMJSQRQWBU-DOTOQJQBSA-N 1 1 362.430 2.037 20 5 FEBDMO O=C1CO[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]2N1 ZINC000370712544 556946407 /nfs/dbraw/zinc/94/64/07/556946407.db2.gz WHFMSXOHRCAARG-HOTGVXAUSA-N 1 1 373.434 2.413 20 5 FEBDMO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000370915699 557014587 /nfs/dbraw/zinc/01/45/87/557014587.db2.gz DCFXDMZCGSLTNN-KBXCAEBGSA-N 1 1 371.441 2.450 20 5 FEBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000371307044 557139439 /nfs/dbraw/zinc/13/94/39/557139439.db2.gz ADAMUSFZVQJFJM-IBGZPJMESA-N 1 1 369.425 2.446 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000371784278 557292551 /nfs/dbraw/zinc/29/25/51/557292551.db2.gz RCMDLJPMYGPWPK-CYBMUJFWSA-N 1 1 353.394 2.018 20 5 FEBDMO C[N@H+]1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1cccs1 ZINC000372842254 557573435 /nfs/dbraw/zinc/57/34/35/557573435.db2.gz VWDNCDNHTGEVRW-MEDUHNTESA-N 1 1 358.427 2.804 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000372927477 557590145 /nfs/dbraw/zinc/59/01/45/557590145.db2.gz LABLWKLHVZLQQU-UHFFFAOYSA-N 1 1 357.414 2.338 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nnc[nH]4)C3)n2)cc1 ZINC000374051266 557814327 /nfs/dbraw/zinc/81/43/27/557814327.db2.gz QOVVXGDITSLGRP-LBPRGKRZSA-N 1 1 355.358 2.143 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nnc[nH]4)C3)n2)cc1 ZINC000374051266 557814329 /nfs/dbraw/zinc/81/43/29/557814329.db2.gz QOVVXGDITSLGRP-LBPRGKRZSA-N 1 1 355.358 2.143 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nnc[nH]4)C3)n2)cc1 ZINC000374051264 557814395 /nfs/dbraw/zinc/81/43/95/557814395.db2.gz QOVVXGDITSLGRP-GFCCVEGCSA-N 1 1 355.358 2.143 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nnc[nH]4)C3)n2)cc1 ZINC000374051264 557814396 /nfs/dbraw/zinc/81/43/96/557814396.db2.gz QOVVXGDITSLGRP-GFCCVEGCSA-N 1 1 355.358 2.143 20 5 FEBDMO CC[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000374163373 557834709 /nfs/dbraw/zinc/83/47/09/557834709.db2.gz SYLJKMFVBCAEAG-RTQGNFRKSA-N 1 1 359.426 2.177 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000374359701 557871480 /nfs/dbraw/zinc/87/14/80/557871480.db2.gz ONBPRQBWUJEICE-AWEZNQCLSA-N 1 1 363.414 2.290 20 5 FEBDMO O=C(NCC1CCOCC1)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000374392304 557877900 /nfs/dbraw/zinc/87/79/00/557877900.db2.gz SHFYILOSFQWWBT-SFHVURJKSA-N 1 1 361.442 2.145 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@](CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000374555454 557899182 /nfs/dbraw/zinc/89/91/82/557899182.db2.gz DEHVMWOPAKFYDO-FQEVSTJZSA-N 1 1 369.421 2.220 20 5 FEBDMO Cc1[nH+]c(CNC(=O)NCCc2ccccc2[N+](=O)[O-])c2n1CCCC2 ZINC000375014258 557964005 /nfs/dbraw/zinc/96/40/05/557964005.db2.gz ARNVULDFGYOODA-UHFFFAOYSA-N 1 1 357.414 2.478 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000375035237 557967986 /nfs/dbraw/zinc/96/79/86/557967986.db2.gz BXPFKNRFCHMNCB-NHYWBVRUSA-N 1 1 373.862 2.271 20 5 FEBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000375494727 558037173 /nfs/dbraw/zinc/03/71/73/558037173.db2.gz LSMZXCLCULXJBD-AWEZNQCLSA-N 1 1 363.458 2.421 20 5 FEBDMO C[C@@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000375513414 558040865 /nfs/dbraw/zinc/04/08/65/558040865.db2.gz VDDAMBKNNWSIPO-NSHDSACASA-N 1 1 358.236 2.250 20 5 FEBDMO C[C@@H](CO)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000375513414 558040866 /nfs/dbraw/zinc/04/08/66/558040866.db2.gz VDDAMBKNNWSIPO-NSHDSACASA-N 1 1 358.236 2.250 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C1CC1 ZINC000375759049 558078499 /nfs/dbraw/zinc/07/84/99/558078499.db2.gz PWYQURONCWOSDT-CVEARBPZSA-N 1 1 361.398 2.054 20 5 FEBDMO Cc1cc([C@@H]2CCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)[nH]n1 ZINC000376489689 558179777 /nfs/dbraw/zinc/17/97/77/558179777.db2.gz DRWGNKOISNZJFG-OAHLLOKOSA-N 1 1 369.425 2.395 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 ZINC000376802357 558223438 /nfs/dbraw/zinc/22/34/38/558223438.db2.gz ANAMAOUFTWVAIE-LBPRGKRZSA-N 1 1 371.319 2.358 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000377216343 558290737 /nfs/dbraw/zinc/29/07/37/558290737.db2.gz TVPKZDVQNAFXPR-CABCVRRESA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000377216343 558290738 /nfs/dbraw/zinc/29/07/38/558290738.db2.gz TVPKZDVQNAFXPR-CABCVRRESA-N 1 1 352.387 2.146 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000377216544 558290858 /nfs/dbraw/zinc/29/08/58/558290858.db2.gz UZLGWCIFJBFTPA-YJBOKZPZSA-N 1 1 369.425 2.337 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCOC(C)(C)C1 ZINC000377387927 558331094 /nfs/dbraw/zinc/33/10/94/558331094.db2.gz CCWFXGFDZIISRJ-UHFFFAOYSA-N 1 1 351.403 2.433 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377763843 558415191 /nfs/dbraw/zinc/41/51/91/558415191.db2.gz QJCBRMGTTHHKLJ-QWHCGFSZSA-N 1 1 365.434 2.017 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377763843 558415194 /nfs/dbraw/zinc/41/51/94/558415194.db2.gz QJCBRMGTTHHKLJ-QWHCGFSZSA-N 1 1 365.434 2.017 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H](CO)C1 ZINC000378007700 558462126 /nfs/dbraw/zinc/46/21/26/558462126.db2.gz QGZRNKWZDUCVOZ-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO CCOc1cc(C(=O)NCC[N@@H+](CC)C(C)C)c([N+](=O)[O-])cc1OC ZINC000523291876 562210534 /nfs/dbraw/zinc/21/05/34/562210534.db2.gz JFAQHIXMCNSUCN-UHFFFAOYSA-N 1 1 353.419 2.462 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524737080 562233549 /nfs/dbraw/zinc/23/35/49/562233549.db2.gz FPKFBPZPJNBACQ-TZMCWYRMSA-N 1 1 357.414 2.208 20 5 FEBDMO NC(=O)CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000411318444 558875894 /nfs/dbraw/zinc/87/58/94/558875894.db2.gz BACGKOYSZKLSBJ-UHFFFAOYSA-N 1 1 370.409 2.301 20 5 FEBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc([N+](=O)[O-])c1OC ZINC000525500808 562249625 /nfs/dbraw/zinc/24/96/25/562249625.db2.gz YBHPKPUKTRPPIV-AWEZNQCLSA-N 1 1 351.403 2.024 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc([N+](=O)[O-])c1OC ZINC000525500808 562249626 /nfs/dbraw/zinc/24/96/26/562249626.db2.gz YBHPKPUKTRPPIV-AWEZNQCLSA-N 1 1 351.403 2.024 20 5 FEBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)Nc1ccc2c(c1)OCO2 ZINC000411479859 558901914 /nfs/dbraw/zinc/90/19/14/558901914.db2.gz MZOYIPXLZUOOKR-UHFFFAOYSA-N 1 1 370.365 2.105 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000411643790 558934633 /nfs/dbraw/zinc/93/46/33/558934633.db2.gz YYGKQOGVEWGSNG-LBPRGKRZSA-N 1 1 351.403 2.431 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCO[C@H]1C ZINC000411655731 558936978 /nfs/dbraw/zinc/93/69/78/558936978.db2.gz MKVMXJBOHHXSPV-ZFWWWQNUSA-N 1 1 351.403 2.049 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCCc3c(cnn3C)C2)cccc1[N+](=O)[O-] ZINC000411852876 558976244 /nfs/dbraw/zinc/97/62/44/558976244.db2.gz MRQIZOFKXAPVJR-UHFFFAOYSA-N 1 1 357.414 2.414 20 5 FEBDMO O=C(C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000411957291 558995116 /nfs/dbraw/zinc/99/51/16/558995116.db2.gz WQCOCBZNBZNEOX-ROUUACIJSA-N 1 1 367.405 2.292 20 5 FEBDMO O=C(C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000411957291 558995117 /nfs/dbraw/zinc/99/51/17/558995117.db2.gz WQCOCBZNBZNEOX-ROUUACIJSA-N 1 1 367.405 2.292 20 5 FEBDMO COc1ccc(C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000411968782 558997196 /nfs/dbraw/zinc/99/71/96/558997196.db2.gz ORRHTOUUICMEKM-LJQANCHMSA-N 1 1 355.394 2.232 20 5 FEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)CN1CCOCC1 ZINC000412083506 559011079 /nfs/dbraw/zinc/01/10/79/559011079.db2.gz BBXMXOIDJKZPTJ-UHFFFAOYSA-N 1 1 365.430 2.004 20 5 FEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)CN1CCOCC1 ZINC000412083506 559011080 /nfs/dbraw/zinc/01/10/80/559011080.db2.gz BBXMXOIDJKZPTJ-UHFFFAOYSA-N 1 1 365.430 2.004 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000412094382 559013006 /nfs/dbraw/zinc/01/30/06/559013006.db2.gz DXAZPSVEJRYLNJ-QGZVFWFLSA-N 1 1 360.370 2.420 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000412094382 559013008 /nfs/dbraw/zinc/01/30/08/559013008.db2.gz DXAZPSVEJRYLNJ-QGZVFWFLSA-N 1 1 360.370 2.420 20 5 FEBDMO CC(C)Oc1cc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)ccc1[N+](=O)[O-] ZINC000412124608 559015827 /nfs/dbraw/zinc/01/58/27/559015827.db2.gz KQFYQOPEVNWRRF-UHFFFAOYSA-N 1 1 373.413 2.078 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1F ZINC000412371641 559031586 /nfs/dbraw/zinc/03/15/86/559031586.db2.gz SBHNHKGBJASFJW-GFCCVEGCSA-N 1 1 365.405 2.228 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412393696 559032884 /nfs/dbraw/zinc/03/28/84/559032884.db2.gz DYGVLHLLULBHAV-GFCCVEGCSA-N 1 1 353.394 2.228 20 5 FEBDMO C[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000414039282 559148387 /nfs/dbraw/zinc/14/83/87/559148387.db2.gz JBGXAQLMKQMLGF-CYBMUJFWSA-N 1 1 367.421 2.407 20 5 FEBDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159993 559151217 /nfs/dbraw/zinc/15/12/17/559151217.db2.gz XIDMEYPSFWCPHW-YJBOKZPZSA-N 1 1 364.442 2.472 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414462611 559165704 /nfs/dbraw/zinc/16/57/04/559165704.db2.gz FQOLWTYPYJNLGH-UHFFFAOYSA-N 1 1 352.416 2.085 20 5 FEBDMO COCC(COC)[NH+]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000414476700 559167535 /nfs/dbraw/zinc/16/75/35/559167535.db2.gz YBQFMXDHIQBARC-UHFFFAOYSA-N 1 1 365.474 2.497 20 5 FEBDMO COC(=O)[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+](C)C1 ZINC000414480057 559167811 /nfs/dbraw/zinc/16/78/11/559167811.db2.gz ANHCQCSWALPADY-OAHLLOKOSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414480057 559167812 /nfs/dbraw/zinc/16/78/12/559167812.db2.gz ANHCQCSWALPADY-OAHLLOKOSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414480057 559167813 /nfs/dbraw/zinc/16/78/13/559167813.db2.gz ANHCQCSWALPADY-OAHLLOKOSA-N 1 1 373.409 2.391 20 5 FEBDMO C[N@@H+](CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000416501219 559318110 /nfs/dbraw/zinc/31/81/10/559318110.db2.gz KEWSFQZRJREOEX-UHFFFAOYSA-N 1 1 361.851 2.401 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000416960769 559340359 /nfs/dbraw/zinc/34/03/59/559340359.db2.gz WJGHVFBUJQRCHK-CQSZACIVSA-N 1 1 355.398 2.150 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000416960769 559340360 /nfs/dbraw/zinc/34/03/60/559340360.db2.gz WJGHVFBUJQRCHK-CQSZACIVSA-N 1 1 355.398 2.150 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2C[NH2+]1 ZINC000420457122 559488533 /nfs/dbraw/zinc/48/85/33/559488533.db2.gz IKUNYZQKODEVSJ-ZDUSSCGKSA-N 1 1 361.423 2.423 20 5 FEBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420630331 559494408 /nfs/dbraw/zinc/49/44/08/559494408.db2.gz ROKQQVIRPNVPRE-IYBDPMFKSA-N 1 1 366.421 2.262 20 5 FEBDMO Cc1ccc(C[N@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000421387682 559541064 /nfs/dbraw/zinc/54/10/64/559541064.db2.gz PFLDDMRLKCXAET-UHFFFAOYSA-N 1 1 369.468 2.375 20 5 FEBDMO Cc1ccc(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000421387682 559541065 /nfs/dbraw/zinc/54/10/65/559541065.db2.gz PFLDDMRLKCXAET-UHFFFAOYSA-N 1 1 369.468 2.375 20 5 FEBDMO COc1ccc(NC(=O)CN2CC3(C[C@@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000424289672 559660838 /nfs/dbraw/zinc/66/08/38/559660838.db2.gz MGIOLKWVHHBOEB-ZDUSSCGKSA-N 1 1 362.430 2.006 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000425055718 559685446 /nfs/dbraw/zinc/68/54/46/559685446.db2.gz IKSOLMKTMQHGAV-XJKSGUPXSA-N 1 1 370.409 2.074 20 5 FEBDMO CN1C(=O)NCC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000425377314 559698588 /nfs/dbraw/zinc/69/85/88/559698588.db2.gz ZTWNNDULGBKNAS-UHFFFAOYSA-N 1 1 370.356 2.186 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425409483 559700793 /nfs/dbraw/zinc/70/07/93/559700793.db2.gz WDCZDSHUZFBQDM-LLVKDONJSA-N 1 1 356.220 2.315 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425409483 559700794 /nfs/dbraw/zinc/70/07/94/559700794.db2.gz WDCZDSHUZFBQDM-LLVKDONJSA-N 1 1 356.220 2.315 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425541070 559708686 /nfs/dbraw/zinc/70/86/86/559708686.db2.gz FPHYXIHHHXXYAM-JTQLQIEISA-N 1 1 352.192 2.465 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425541070 559708685 /nfs/dbraw/zinc/70/86/85/559708685.db2.gz FPHYXIHHHXXYAM-JTQLQIEISA-N 1 1 352.192 2.465 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000427900956 559764953 /nfs/dbraw/zinc/76/49/53/559764953.db2.gz AEDYCAQBTCWXIJ-ZDUSSCGKSA-N 1 1 372.425 2.401 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433066649 559870915 /nfs/dbraw/zinc/87/09/15/559870915.db2.gz KKYFCJPDEQONCW-KSSFIOAISA-N 1 1 357.410 2.457 20 5 FEBDMO Cc1cc(OCC(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801731 559930361 /nfs/dbraw/zinc/93/03/61/559930361.db2.gz UYQNHMOIYDQBOP-ZWKOTPCHSA-N 1 1 369.421 2.496 20 5 FEBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000437879859 559970965 /nfs/dbraw/zinc/97/09/65/559970965.db2.gz VMPSTTZJVZVBMZ-HNNXBMFYSA-N 1 1 363.462 2.440 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000443765908 560092011 /nfs/dbraw/zinc/09/20/11/560092011.db2.gz TZYLUFWWPMNYPF-DZGCQCFKSA-N 1 1 355.460 2.229 20 5 FEBDMO COC(=O)c1cc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000444623397 560116884 /nfs/dbraw/zinc/11/68/84/560116884.db2.gz SLSJFFWLYJBRCX-UHFFFAOYSA-N 1 1 363.414 2.233 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446906944 560153303 /nfs/dbraw/zinc/15/33/03/560153303.db2.gz AOGHVIOCXQBGJF-UHFFFAOYSA-N 1 1 374.445 2.392 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447935993 560173857 /nfs/dbraw/zinc/17/38/57/560173857.db2.gz LJSDEVHWLXWOQI-LBPRGKRZSA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447935993 560173858 /nfs/dbraw/zinc/17/38/58/560173858.db2.gz LJSDEVHWLXWOQI-LBPRGKRZSA-N 1 1 361.489 2.363 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000449452254 560230875 /nfs/dbraw/zinc/23/08/75/560230875.db2.gz KJVPRGPYKHTWMN-KRWDZBQOSA-N 1 1 374.393 2.312 20 5 FEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nn(C)cc1Cl ZINC000449478703 560231635 /nfs/dbraw/zinc/23/16/35/560231635.db2.gz KRYHBYBBBXZENY-JTQLQIEISA-N 1 1 351.794 2.489 20 5 FEBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450149182 560252235 /nfs/dbraw/zinc/25/22/35/560252235.db2.gz VETJWJJDDHSVTR-YVEFUNNKSA-N 1 1 357.414 2.443 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H]1CCC[N@H+]1CCCO ZINC000450595832 560267451 /nfs/dbraw/zinc/26/74/51/560267451.db2.gz MOGLOJUIXJJPGD-GFCCVEGCSA-N 1 1 369.393 2.169 20 5 FEBDMO COC[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451197156 560292593 /nfs/dbraw/zinc/29/25/93/560292593.db2.gz CGJJBQIUFYIOFS-SJCJKPOMSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451197156 560292594 /nfs/dbraw/zinc/29/25/94/560292594.db2.gz CGJJBQIUFYIOFS-SJCJKPOMSA-N 1 1 351.403 2.289 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451339744 560301190 /nfs/dbraw/zinc/30/11/90/560301190.db2.gz JSNXOHOXROWSQA-OWYHZJEWSA-N 1 1 364.442 2.350 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419600 560305866 /nfs/dbraw/zinc/30/58/66/560305866.db2.gz LSICWUSEHOBQGH-MLHJIOFPSA-N 1 1 359.426 2.326 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451804568 560329660 /nfs/dbraw/zinc/32/96/60/560329660.db2.gz BQQRNEVNWZDBIU-JSGCOSHPSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451804568 560329661 /nfs/dbraw/zinc/32/96/61/560329661.db2.gz BQQRNEVNWZDBIU-JSGCOSHPSA-N 1 1 365.430 2.413 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452101328 560351244 /nfs/dbraw/zinc/35/12/44/560351244.db2.gz GASYEYQOXLLEND-CQSZACIVSA-N 1 1 355.460 2.315 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)C2)C1 ZINC000452153205 560353992 /nfs/dbraw/zinc/35/39/92/560353992.db2.gz QUPZVMMORJAGIA-LJQANCHMSA-N 1 1 369.425 2.338 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452358054 560359959 /nfs/dbraw/zinc/35/99/59/560359959.db2.gz FSVCDOYLNSZMRH-WMZOPIPTSA-N 1 1 363.458 2.127 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452389491 560362879 /nfs/dbraw/zinc/36/28/79/560362879.db2.gz MAOLWHJVCIQDEX-DZGCQCFKSA-N 1 1 367.471 2.038 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000452728584 560372350 /nfs/dbraw/zinc/37/23/50/560372350.db2.gz IVKJRIYGONAVBC-UHFFFAOYSA-N 1 1 357.414 2.113 20 5 FEBDMO CC(C)(C)c1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000452794467 560374246 /nfs/dbraw/zinc/37/42/46/560374246.db2.gz IJVZOLNANCTAGN-OAHLLOKOSA-N 1 1 363.458 2.469 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000457058778 560546446 /nfs/dbraw/zinc/54/64/46/560546446.db2.gz PVRUJGTXBLFACL-UHFFFAOYSA-N 1 1 358.398 2.453 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000457071191 560546970 /nfs/dbraw/zinc/54/69/70/560546970.db2.gz HNYLTVROCNOTKO-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000458159324 560605951 /nfs/dbraw/zinc/60/59/51/560605951.db2.gz FAJBNEAMMYUSFJ-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO CC[C@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458524202 560629923 /nfs/dbraw/zinc/62/99/23/560629923.db2.gz WMVSJKRJTNXDTG-VBQJREDUSA-N 1 1 364.446 2.142 20 5 FEBDMO Cc1cc(C(=O)N2CCN(CCc3ccc([N+](=O)[O-])cc3)[C@H](C)C2)n[nH]1 ZINC000459558685 560694187 /nfs/dbraw/zinc/69/41/87/560694187.db2.gz ASTPVFSVHSRYGH-CQSZACIVSA-N 1 1 357.414 2.015 20 5 FEBDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000459571266 560694875 /nfs/dbraw/zinc/69/48/75/560694875.db2.gz CELVKOGWBBMZFO-GOSISDBHSA-N 1 1 363.414 2.247 20 5 FEBDMO COCCNC(=O)C1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000459765590 560706922 /nfs/dbraw/zinc/70/69/22/560706922.db2.gz ZNSHSVYIJGSELG-UHFFFAOYSA-N 1 1 359.382 2.240 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461471522 560773336 /nfs/dbraw/zinc/77/33/36/560773336.db2.gz QCXDKOIDHDUABF-INIZCTEOSA-N 1 1 371.441 2.360 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461737819 560781141 /nfs/dbraw/zinc/78/11/41/560781141.db2.gz XKEPURZNEFTGRA-UHFFFAOYSA-N 1 1 366.437 2.423 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000461737819 560781143 /nfs/dbraw/zinc/78/11/43/560781143.db2.gz XKEPURZNEFTGRA-UHFFFAOYSA-N 1 1 366.437 2.423 20 5 FEBDMO COC(=O)C[C@@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCOC1 ZINC000464602446 560846495 /nfs/dbraw/zinc/84/64/95/560846495.db2.gz LZCHQHNHFGUSOL-KRWDZBQOSA-N 1 1 352.387 2.194 20 5 FEBDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464787935 560850841 /nfs/dbraw/zinc/85/08/41/560850841.db2.gz GCSCAYHCKGCZNR-QZTJIDSGSA-N 1 1 364.421 2.490 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000465014097 560856871 /nfs/dbraw/zinc/85/68/71/560856871.db2.gz RJTMEJQCBQNHGY-OAHLLOKOSA-N 1 1 363.462 2.284 20 5 FEBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000465366150 560863994 /nfs/dbraw/zinc/86/39/94/560863994.db2.gz RLYWOFJQMDIETQ-UHFFFAOYSA-N 1 1 372.381 2.112 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000465984007 560877617 /nfs/dbraw/zinc/87/76/17/560877617.db2.gz RVISQRFZJPNVPE-HUUCEWRRSA-N 1 1 363.462 2.487 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1OC ZINC000468471891 560930738 /nfs/dbraw/zinc/93/07/38/560930738.db2.gz WDWQZPQBIZINAZ-OAHLLOKOSA-N 1 1 365.430 2.462 20 5 FEBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470217524 560976813 /nfs/dbraw/zinc/97/68/13/560976813.db2.gz GVXIXFHOXURGBW-WQMJKPAKSA-N 1 1 353.444 2.012 20 5 FEBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470217524 560976814 /nfs/dbraw/zinc/97/68/14/560976814.db2.gz GVXIXFHOXURGBW-WQMJKPAKSA-N 1 1 353.444 2.012 20 5 FEBDMO CCCc1ccc([C@@H](C)[N@H+](CCn2cc([N+](=O)[O-])cn2)CC(N)=O)cc1 ZINC000472434655 561026368 /nfs/dbraw/zinc/02/63/68/561026368.db2.gz WINAETUBZBWFMR-CQSZACIVSA-N 1 1 359.430 2.292 20 5 FEBDMO CCCc1ccc([C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC(N)=O)cc1 ZINC000472434655 561026369 /nfs/dbraw/zinc/02/63/69/561026369.db2.gz WINAETUBZBWFMR-CQSZACIVSA-N 1 1 359.430 2.292 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000472612993 561031014 /nfs/dbraw/zinc/03/10/14/561031014.db2.gz YUBSMKPDQSKUCR-RISCZKNCSA-N 1 1 366.393 2.004 20 5 FEBDMO COC(=O)C[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000474225411 561068836 /nfs/dbraw/zinc/06/88/36/561068836.db2.gz FPNJEBYNVHZUDS-UHFFFAOYSA-N 1 1 352.387 2.400 20 5 FEBDMO COC(=O)C[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000474225411 561068837 /nfs/dbraw/zinc/06/88/37/561068837.db2.gz FPNJEBYNVHZUDS-UHFFFAOYSA-N 1 1 352.387 2.400 20 5 FEBDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000475181957 561092374 /nfs/dbraw/zinc/09/23/74/561092374.db2.gz JUKLIDRMYSSZJY-UHFFFAOYSA-N 1 1 354.370 2.061 20 5 FEBDMO COc1c(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000476301334 561115907 /nfs/dbraw/zinc/11/59/07/561115907.db2.gz COJJLIKSJACJJE-OKILXGFUSA-N 1 1 365.430 2.223 20 5 FEBDMO COc1c(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476469669 561120249 /nfs/dbraw/zinc/12/02/49/561120249.db2.gz WEXMDUVAHJUGSK-HOTGVXAUSA-N 1 1 355.394 2.431 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[N@@H+]1CCOC ZINC000476507531 561121218 /nfs/dbraw/zinc/12/12/18/561121218.db2.gz JYCJADTWFQIFHS-CQSZACIVSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2OC)CC[N@H+]1CCOC ZINC000476507531 561121219 /nfs/dbraw/zinc/12/12/19/561121219.db2.gz JYCJADTWFQIFHS-CQSZACIVSA-N 1 1 365.430 2.176 20 5 FEBDMO C[C@@H]1C[C@@H](CCNC(=O)c2cc([N+](=O)[O-])nn2C)C[N@H+]1Cc1ccccc1 ZINC000476648706 561125122 /nfs/dbraw/zinc/12/51/22/561125122.db2.gz OMWMJGNOEXYKNK-GDBMZVCRSA-N 1 1 371.441 2.359 20 5 FEBDMO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662760 562419768 /nfs/dbraw/zinc/41/97/68/562419768.db2.gz NXUIKOHITLHVPX-HLLBOEOZSA-N 1 1 351.447 2.139 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000532046295 562465174 /nfs/dbraw/zinc/46/51/74/562465174.db2.gz WBPYBJRGBHQFEQ-HNNXBMFYSA-N 1 1 364.446 2.251 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000532981604 562494614 /nfs/dbraw/zinc/49/46/14/562494614.db2.gz KAGUQFBEGFLZCO-OAHLLOKOSA-N 1 1 374.441 2.319 20 5 FEBDMO Cc1nc2ccccn2c1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000535072413 562550465 /nfs/dbraw/zinc/55/04/65/562550465.db2.gz BAMVXALRDFGUCX-UHFFFAOYSA-N 1 1 352.398 2.268 20 5 FEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254993 568320975 /nfs/dbraw/zinc/32/09/75/568320975.db2.gz GOBPUKDLEWDKRW-OUCADQQQSA-N 1 1 361.398 2.126 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000557494479 674451010 /nfs/dbraw/zinc/45/10/10/674451010.db2.gz ZKJRJCCHGIFCSE-DGCLKSJQSA-N 1 1 350.419 2.617 20 5 FEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000823629595 607472250 /nfs/dbraw/zinc/47/22/50/607472250.db2.gz BEHORQWAKYRJBQ-UKRRQHHQSA-N 1 1 369.429 2.228 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000809968518 674522672 /nfs/dbraw/zinc/52/26/72/674522672.db2.gz DDMRAAXQDXHWQY-QGZVFWFLSA-N 1 1 352.410 2.335 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000811812239 674630119 /nfs/dbraw/zinc/63/01/19/674630119.db2.gz PAXSTDTUCXAJPC-SKDRFNHKSA-N 1 1 350.375 2.341 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000811848619 674633461 /nfs/dbraw/zinc/63/34/61/674633461.db2.gz MMKYBZJJXOHIJB-JTQLQIEISA-N 1 1 354.363 2.430 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813430996 674744542 /nfs/dbraw/zinc/74/45/42/674744542.db2.gz YXHKXLRBUOMMDD-QWRGUYRKSA-N 1 1 374.224 2.495 20 5 FEBDMO Cc1c(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047144434 670235190 /nfs/dbraw/zinc/23/51/90/670235190.db2.gz NGSKSFLKVOKSRF-LLVKDONJSA-N 1 1 350.375 2.416 20 5 FEBDMO Cc1cc(C(=O)NCC[N@@H+]2CCc3sccc3C2)c(N)c([N+](=O)[O-])c1 ZINC000104862360 670797022 /nfs/dbraw/zinc/79/70/22/670797022.db2.gz VZQYUJSPQCEJBG-UHFFFAOYSA-N 1 1 360.439 2.335 20 5 FEBDMO Cc1cc(C(=O)NCC[N@H+]2CCc3sccc3C2)c(N)c([N+](=O)[O-])c1 ZINC000104862360 670797023 /nfs/dbraw/zinc/79/70/23/670797023.db2.gz VZQYUJSPQCEJBG-UHFFFAOYSA-N 1 1 360.439 2.335 20 5 FEBDMO CC(C)[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271637 671356554 /nfs/dbraw/zinc/35/65/54/671356554.db2.gz FYMOCWPLPXBXLZ-JKSUJKDBSA-N 1 1 351.447 2.045 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271637 671356558 /nfs/dbraw/zinc/35/65/58/671356558.db2.gz FYMOCWPLPXBXLZ-JKSUJKDBSA-N 1 1 351.447 2.045 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](CCNC(C)=O)C1CCSCC1 ZINC000577299344 671586250 /nfs/dbraw/zinc/58/62/50/671586250.db2.gz XUQZOIRYTBQJGP-UHFFFAOYSA-N 1 1 367.471 2.437 20 5 FEBDMO C[N@@H+]1CCO[C@H](CSCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000578356862 671659417 /nfs/dbraw/zinc/65/94/17/671659417.db2.gz HEAQKGLYKHBFSC-ZDUSSCGKSA-N 1 1 350.400 2.209 20 5 FEBDMO C[N@H+]1CCO[C@H](CSCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000578356862 671659418 /nfs/dbraw/zinc/65/94/18/671659418.db2.gz HEAQKGLYKHBFSC-ZDUSSCGKSA-N 1 1 350.400 2.209 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cc(Br)c(=O)c([N+](=O)[O-])c2)C1 ZINC000578669762 671681515 /nfs/dbraw/zinc/68/15/15/671681515.db2.gz SPKAGJDFORROIN-PHIMTYICSA-N 1 1 358.236 2.497 20 5 FEBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)o2)c([N+](=O)[O-])c1 ZINC000609599076 675928328 /nfs/dbraw/zinc/92/83/28/675928328.db2.gz IOVHCCHIDOIUEN-NSHDSACASA-N 1 1 368.411 2.386 20 5 FEBDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000579020540 671706723 /nfs/dbraw/zinc/70/67/23/671706723.db2.gz NTIKTBXHPGKXJD-LBPRGKRZSA-N 1 1 373.431 2.377 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000119327221 671896791 /nfs/dbraw/zinc/89/67/91/671896791.db2.gz CHZRFLKMKMCHGT-CYBMUJFWSA-N 1 1 355.441 2.238 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000119345783 671897245 /nfs/dbraw/zinc/89/72/45/671897245.db2.gz WNLNMWRMJLJHCS-CYBMUJFWSA-N 1 1 373.431 2.377 20 5 FEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000126304417 672023451 /nfs/dbraw/zinc/02/34/51/672023451.db2.gz KEFUSHAQIRGDAK-GXSJLCMTSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000126304417 672023453 /nfs/dbraw/zinc/02/34/53/672023453.db2.gz KEFUSHAQIRGDAK-GXSJLCMTSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583866930 672133406 /nfs/dbraw/zinc/13/34/06/672133406.db2.gz LYNSBTNAAPIQCJ-BFYDXBDKSA-N 1 1 351.447 2.187 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000584309673 672175634 /nfs/dbraw/zinc/17/56/34/672175634.db2.gz SBWFFQGYRLXQMR-CQSZACIVSA-N 1 1 355.460 2.364 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CCC[N@H+](C)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000584408058 672185391 /nfs/dbraw/zinc/18/53/91/672185391.db2.gz UISKGSOKEIEGMO-AWEZNQCLSA-N 1 1 355.460 2.262 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C[C@H]1C ZINC000611216176 676025853 /nfs/dbraw/zinc/02/58/53/676025853.db2.gz KZTXQRYBQZXCMF-CYBMUJFWSA-N 1 1 367.471 2.500 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)C[C@H]1C ZINC000611216176 676025854 /nfs/dbraw/zinc/02/58/54/676025854.db2.gz KZTXQRYBQZXCMF-CYBMUJFWSA-N 1 1 367.471 2.500 20 5 FEBDMO COCCO[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589517530 672529882 /nfs/dbraw/zinc/52/98/82/672529882.db2.gz IWOLKNUMAHYVPH-OAHLLOKOSA-N 1 1 352.387 2.009 20 5 FEBDMO COCCO[C@@H]1CCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589517530 672529884 /nfs/dbraw/zinc/52/98/84/672529884.db2.gz IWOLKNUMAHYVPH-OAHLLOKOSA-N 1 1 352.387 2.009 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000589930766 672548693 /nfs/dbraw/zinc/54/86/93/672548693.db2.gz ICNCPVGPKKAYBL-ZDUSSCGKSA-N 1 1 367.471 2.398 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000590309044 672571903 /nfs/dbraw/zinc/57/19/03/672571903.db2.gz HOUWFAKZDRDNCK-TVQRCGJNSA-N 1 1 361.320 2.063 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000590309044 672571908 /nfs/dbraw/zinc/57/19/08/672571908.db2.gz HOUWFAKZDRDNCK-TVQRCGJNSA-N 1 1 361.320 2.063 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000590441775 672582900 /nfs/dbraw/zinc/58/29/00/672582900.db2.gz DWTBQEMPEBTJDY-FZMZJTMJSA-N 1 1 353.806 2.180 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)cc1 ZINC000590749413 672609776 /nfs/dbraw/zinc/60/97/76/672609776.db2.gz FJPQDYVNKMVTPE-KYJSFNMBSA-N 1 1 350.415 2.226 20 5 FEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611615051 676047873 /nfs/dbraw/zinc/04/78/73/676047873.db2.gz HGNXQHBKNUXICK-GFCCVEGCSA-N 1 1 355.341 2.410 20 5 FEBDMO C[C@H]1CC2(C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592182716 672768240 /nfs/dbraw/zinc/76/82/40/672768240.db2.gz QGCRLLFZNWMLQW-HOCLYGCPSA-N 1 1 350.415 2.226 20 5 FEBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592185813 672768824 /nfs/dbraw/zinc/76/88/24/672768824.db2.gz RKLHXCANAQYOJO-CQSZACIVSA-N 1 1 361.320 2.104 20 5 FEBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000592185813 672768825 /nfs/dbraw/zinc/76/88/25/672768825.db2.gz RKLHXCANAQYOJO-CQSZACIVSA-N 1 1 361.320 2.104 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000248253917 672855125 /nfs/dbraw/zinc/85/51/25/672855125.db2.gz UAUVMUYQWPFDJW-CYBMUJFWSA-N 1 1 355.822 2.335 20 5 FEBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593541335 672938040 /nfs/dbraw/zinc/93/80/40/672938040.db2.gz LQLDMXWXZSMMEO-ZDUSSCGKSA-N 1 1 370.475 2.169 20 5 FEBDMO CC(C)C[N@@H+](C)CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000593615799 672959164 /nfs/dbraw/zinc/95/91/64/672959164.db2.gz GHWXXSMCSCXZSI-UHFFFAOYSA-N 1 1 357.476 2.035 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000594475289 673081723 /nfs/dbraw/zinc/08/17/23/673081723.db2.gz OCUAKIGNLHVNLW-UHFFFAOYSA-N 1 1 355.460 2.231 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000594475772 673082414 /nfs/dbraw/zinc/08/24/14/673082414.db2.gz SVIADJWWVCQNNP-UHFFFAOYSA-N 1 1 355.460 2.398 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484740 673088560 /nfs/dbraw/zinc/08/85/60/673088560.db2.gz TVWSLQUFODHXHE-CABCVRRESA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790818 673143888 /nfs/dbraw/zinc/14/38/88/673143888.db2.gz XQCXFVISTXOWOD-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594790818 673143893 /nfs/dbraw/zinc/14/38/93/673143893.db2.gz XQCXFVISTXOWOD-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594791362 673143988 /nfs/dbraw/zinc/14/39/88/673143988.db2.gz ODQOXZJRHGYSLN-ZDUSSCGKSA-N 1 1 355.460 2.302 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000595381536 673238610 /nfs/dbraw/zinc/23/86/10/673238610.db2.gz OQBUONZKBQHLLX-UHFFFAOYSA-N 1 1 359.448 2.002 20 5 FEBDMO COC[C@@]1(C(=O)OC)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595803287 673326659 /nfs/dbraw/zinc/32/66/59/673326659.db2.gz SXQWWGHOLJMGAD-QGZVFWFLSA-N 1 1 352.387 2.018 20 5 FEBDMO COC[C@@]1(C(=O)OC)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595803287 673326663 /nfs/dbraw/zinc/32/66/63/673326663.db2.gz SXQWWGHOLJMGAD-QGZVFWFLSA-N 1 1 352.387 2.018 20 5 FEBDMO O=[N+]([O-])c1c(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)nc2sccn21 ZINC000596514746 673390867 /nfs/dbraw/zinc/39/08/67/673390867.db2.gz CXULMSOUTRZWKZ-VXGBXAGGSA-N 1 1 363.443 2.359 20 5 FEBDMO CCOc1cc(Sc2nnnn2C[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000537833776 673410263 /nfs/dbraw/zinc/41/02/63/673410263.db2.gz OVEBPEKPCVDGLB-NSHDSACASA-N 1 1 364.431 2.083 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598609117 673589903 /nfs/dbraw/zinc/58/99/03/673589903.db2.gz QSTGVTLSYOUVEC-WCQYABFASA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598609117 673589905 /nfs/dbraw/zinc/58/99/05/673589905.db2.gz QSTGVTLSYOUVEC-WCQYABFASA-N 1 1 353.444 2.115 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1N1CCC([NH+]2CCOCC2)CC1 ZINC000599104086 673633446 /nfs/dbraw/zinc/63/34/46/673633446.db2.gz MCTJXHNCIKQSPP-UHFFFAOYSA-N 1 1 371.235 2.053 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000599131232 673635612 /nfs/dbraw/zinc/63/56/12/673635612.db2.gz SOZGNKQDOUJUPS-LBPRGKRZSA-N 1 1 371.235 2.109 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464029 673678486 /nfs/dbraw/zinc/67/84/86/673678486.db2.gz IXMZATBVJLBTRA-OAHLLOKOSA-N 1 1 367.471 2.452 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599575173 673693273 /nfs/dbraw/zinc/69/32/73/673693273.db2.gz NTDNMJIXMURWRW-UHFFFAOYSA-N 1 1 374.235 2.055 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632057 673699919 /nfs/dbraw/zinc/69/99/19/673699919.db2.gz RSSGSFKZXJUANQ-XESHVACXSA-N 1 1 365.455 2.217 20 5 FEBDMO COc1cc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000599654699 673702621 /nfs/dbraw/zinc/70/26/21/673702621.db2.gz HSCMJBYTIQVEPM-KLPPZKSPSA-N 1 1 360.357 2.450 20 5 FEBDMO O=C(CN1CC[NH+](CCCF)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599669635 673704173 /nfs/dbraw/zinc/70/41/73/673704173.db2.gz NBKPTIIWENPYAS-UHFFFAOYSA-N 1 1 358.801 2.164 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599691550 673706895 /nfs/dbraw/zinc/70/68/95/673706895.db2.gz PDXAROCXVJIZEB-ZIAGYGMSSA-N 1 1 355.460 2.225 20 5 FEBDMO CC(C)N1CC[NH+](C2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000601135162 673828055 /nfs/dbraw/zinc/82/80/55/673828055.db2.gz AYBUCRZLJIHKHZ-UHFFFAOYSA-N 1 1 351.426 2.124 20 5 FEBDMO C[C@]1(CO)C[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000602723480 673910150 /nfs/dbraw/zinc/91/01/50/673910150.db2.gz BRDKPHZIHHFSLY-GASCZTMLSA-N 1 1 362.348 2.426 20 5 FEBDMO C[C@]1(CO)C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@]1(C)CO ZINC000602723480 673910153 /nfs/dbraw/zinc/91/01/53/673910153.db2.gz BRDKPHZIHHFSLY-GASCZTMLSA-N 1 1 362.348 2.426 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602853439 673912468 /nfs/dbraw/zinc/91/24/68/673912468.db2.gz YKXJRZDHJCFVEM-JSGCOSHPSA-N 1 1 352.435 2.399 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])c1ccccc1Cl ZINC000548385105 673954635 /nfs/dbraw/zinc/95/46/35/673954635.db2.gz GUUHTYMSXNNQDQ-CYBMUJFWSA-N 1 1 363.805 2.258 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)C2)C1 ZINC000818178955 675203019 /nfs/dbraw/zinc/20/30/19/675203019.db2.gz VTWGODNIRFABOO-INIZCTEOSA-N 1 1 361.427 2.157 20 5 FEBDMO COc1cc(CN2CCC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000566425383 675212747 /nfs/dbraw/zinc/21/27/47/675212747.db2.gz VZITWMZUSYMKHD-CQSZACIVSA-N 1 1 353.394 2.039 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)C2)C1 ZINC000820341553 675355567 /nfs/dbraw/zinc/35/55/67/675355567.db2.gz FPRRLZWFYKGTAT-OAHLLOKOSA-N 1 1 356.785 2.137 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000823054766 675526425 /nfs/dbraw/zinc/52/64/25/675526425.db2.gz BWCKJNCCPKOHOR-VIFPVBQESA-N 1 1 368.821 2.419 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC12COC2 ZINC000824489267 675606092 /nfs/dbraw/zinc/60/60/92/675606092.db2.gz IJIKIELODDXTPA-LBPRGKRZSA-N 1 1 354.790 2.260 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC12COC2 ZINC000824489267 675606094 /nfs/dbraw/zinc/60/60/94/675606094.db2.gz IJIKIELODDXTPA-LBPRGKRZSA-N 1 1 354.790 2.260 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000825600648 675660662 /nfs/dbraw/zinc/66/06/62/675660662.db2.gz NSKHGOLEXMFEAL-LBPRGKRZSA-N 1 1 352.410 2.260 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000825863573 675671697 /nfs/dbraw/zinc/67/16/97/675671697.db2.gz SQHPXLOAQMFLRR-CQSZACIVSA-N 1 1 366.849 2.100 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603659079 675800677 /nfs/dbraw/zinc/80/06/77/675800677.db2.gz YGJFSHZQLDEHQP-TZMCWYRMSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1C ZINC000603662537 675800787 /nfs/dbraw/zinc/80/07/87/675800787.db2.gz MFMAAVNGTLGJFN-LBPRGKRZSA-N 1 1 355.460 2.222 20 5 FEBDMO COc1ccc(CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000604105383 675803598 /nfs/dbraw/zinc/80/35/98/675803598.db2.gz PORDOUSSOZLJMZ-ZDUSSCGKSA-N 1 1 350.419 2.277 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000604573587 675806373 /nfs/dbraw/zinc/80/63/73/675806373.db2.gz WMPLOWBEXLPETO-AWEZNQCLSA-N 1 1 351.378 2.061 20 5 FEBDMO CC[C@@H]1COCC[N@@H+]1CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000828928834 675852766 /nfs/dbraw/zinc/85/27/66/675852766.db2.gz QMVXYKJGWCTUJE-CYBMUJFWSA-N 1 1 369.849 2.408 20 5 FEBDMO CC[C@@H]1COCC[N@H+]1CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000828928834 675852769 /nfs/dbraw/zinc/85/27/69/675852769.db2.gz QMVXYKJGWCTUJE-CYBMUJFWSA-N 1 1 369.849 2.408 20 5 FEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000619078456 676362882 /nfs/dbraw/zinc/36/28/82/676362882.db2.gz ORDZGCQVQTUIOZ-QTONRWBISA-N 1 1 365.455 2.108 20 5 FEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000619078456 676362885 /nfs/dbraw/zinc/36/28/85/676362885.db2.gz ORDZGCQVQTUIOZ-QTONRWBISA-N 1 1 365.455 2.108 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000830024336 677022323 /nfs/dbraw/zinc/02/23/23/677022323.db2.gz QWVNAMPAWSBYPC-YLFCFFPRSA-N 1 1 361.467 2.394 20 5 FEBDMO COCC(COC)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000840955293 680857070 /nfs/dbraw/zinc/85/70/70/680857070.db2.gz TZTBXQLYHXYKLM-UHFFFAOYSA-N 1 1 357.838 2.027 20 5 FEBDMO CCCCc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000983657780 680318734 /nfs/dbraw/zinc/31/87/34/680318734.db2.gz NBCQZWYNOVPBDA-QHSBEEBCSA-N 1 1 366.487 2.135 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000997773730 680365675 /nfs/dbraw/zinc/36/56/75/680365675.db2.gz XYTCBOMZPIHEDN-GDBMZVCRSA-N 1 1 369.824 2.473 20 5 FEBDMO C[NH+]1CCN(C(=O)N[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1 ZINC000841750819 680910361 /nfs/dbraw/zinc/91/03/61/680910361.db2.gz JKPFAGQAYKKSGJ-GFCCVEGCSA-N 1 1 364.299 2.294 20 5 FEBDMO O=C1N[C@H]2C[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@@H]2CO1 ZINC000842642966 680956763 /nfs/dbraw/zinc/95/67/63/680956763.db2.gz JTLXTLDTOQLJRY-KOLCDFICSA-N 1 1 364.383 2.260 20 5 FEBDMO O=C1N[C@H]2C[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@@H]2CO1 ZINC000842642966 680956765 /nfs/dbraw/zinc/95/67/65/680956765.db2.gz JTLXTLDTOQLJRY-KOLCDFICSA-N 1 1 364.383 2.260 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768849397 680961370 /nfs/dbraw/zinc/96/13/70/680961370.db2.gz WWNFXPDWKZWBGZ-GFCCVEGCSA-N 1 1 359.473 2.009 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000769908438 681000160 /nfs/dbraw/zinc/00/01/60/681000160.db2.gz QEUVQIDADGKKEI-ZWNOBZJWSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000769908438 681000162 /nfs/dbraw/zinc/00/01/62/681000162.db2.gz QEUVQIDADGKKEI-ZWNOBZJWSA-N 1 1 373.862 2.318 20 5 FEBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C2 ZINC000933749766 681462631 /nfs/dbraw/zinc/46/26/31/681462631.db2.gz PWAFGDALCGVJIH-NHYWBVRUSA-N 1 1 368.231 2.445 20 5 FEBDMO CN1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000933990753 681493935 /nfs/dbraw/zinc/49/39/35/681493935.db2.gz RASNJKXUNIUXOS-UHFFFAOYSA-N 1 1 371.279 2.037 20 5 FEBDMO CCOC(=O)CC[N@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000848502512 681562285 /nfs/dbraw/zinc/56/22/85/681562285.db2.gz UHLZFGWIBRBNDX-UHFFFAOYSA-N 1 1 351.359 2.124 20 5 FEBDMO CCOC(=O)CC[N@@H+](Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000848502512 681562290 /nfs/dbraw/zinc/56/22/90/681562290.db2.gz UHLZFGWIBRBNDX-UHFFFAOYSA-N 1 1 351.359 2.124 20 5 FEBDMO C[N@H+](CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCSC1 ZINC000778778131 681649040 /nfs/dbraw/zinc/64/90/40/681649040.db2.gz WEZWGDLMQXAAMO-HOTGVXAUSA-N 1 1 365.455 2.154 20 5 FEBDMO C[N@@H+](CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCSC1 ZINC000778778131 681649045 /nfs/dbraw/zinc/64/90/45/681649045.db2.gz WEZWGDLMQXAAMO-HOTGVXAUSA-N 1 1 365.455 2.154 20 5 FEBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](CCCCCO)CC1 ZINC000913692505 685482451 /nfs/dbraw/zinc/48/24/51/685482451.db2.gz PARZTDANDDROSB-UHFFFAOYSA-N 1 1 355.822 2.169 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)OC ZINC000850445391 681902782 /nfs/dbraw/zinc/90/27/82/681902782.db2.gz CKYYRFJKSFTTKC-FZMZJTMJSA-N 1 1 371.459 2.396 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000782607467 682063295 /nfs/dbraw/zinc/06/32/95/682063295.db2.gz JHSKGPPONJDIEM-BZNIZROVSA-N 1 1 358.341 2.062 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000782607467 682063304 /nfs/dbraw/zinc/06/33/04/682063304.db2.gz JHSKGPPONJDIEM-BZNIZROVSA-N 1 1 358.341 2.062 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000851894696 682180310 /nfs/dbraw/zinc/18/03/10/682180310.db2.gz PDBFLPQZAZAXJT-ZDUSSCGKSA-N 1 1 371.434 2.134 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=S)NCc1cc([N+](=O)[O-])ccc1OC ZINC000917594663 685533237 /nfs/dbraw/zinc/53/32/37/685533237.db2.gz VBBCLTJIOCFALG-AWEZNQCLSA-N 1 1 352.460 2.052 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000917909470 685535687 /nfs/dbraw/zinc/53/56/87/685535687.db2.gz UCYDCVWMIWITMA-GHMZBOCLSA-N 1 1 359.835 2.153 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@H]2N1 ZINC000853555877 682433224 /nfs/dbraw/zinc/43/32/24/682433224.db2.gz RAFSRNBARRLZMW-ZYHUDNBSSA-N 1 1 362.411 2.430 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@H]2N1 ZINC000853555877 682433228 /nfs/dbraw/zinc/43/32/28/682433228.db2.gz RAFSRNBARRLZMW-ZYHUDNBSSA-N 1 1 362.411 2.430 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000789590507 682620236 /nfs/dbraw/zinc/62/02/36/682620236.db2.gz IELFCTYKTDOVBN-NSHDSACASA-N 1 1 351.363 2.376 20 5 FEBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855288400 682654277 /nfs/dbraw/zinc/65/42/77/682654277.db2.gz IOUDVYFARATOKT-LLVKDONJSA-N 1 1 350.375 2.414 20 5 FEBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000855486212 682676066 /nfs/dbraw/zinc/67/60/66/682676066.db2.gz JKZJXMZKYZCJFO-CYBMUJFWSA-N 1 1 350.375 2.368 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000790584778 682686428 /nfs/dbraw/zinc/68/64/28/682686428.db2.gz WLQXRBDQDHPEEE-OAHLLOKOSA-N 1 1 353.394 2.349 20 5 FEBDMO O=[N+]([O-])c1c(Br)cccc1N1CC(C[NH+]2CCOCC2)C1 ZINC000856760243 682807208 /nfs/dbraw/zinc/80/72/08/682807208.db2.gz JAFOJOUEWGLKLD-UHFFFAOYSA-N 1 1 356.220 2.126 20 5 FEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000792957938 682851713 /nfs/dbraw/zinc/85/17/13/682851713.db2.gz FBIICTKYCHREKB-CQSZACIVSA-N 1 1 353.419 2.302 20 5 FEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)CCNC(=O)OC(C)(C)C ZINC000792957938 682851717 /nfs/dbraw/zinc/85/17/17/682851717.db2.gz FBIICTKYCHREKB-CQSZACIVSA-N 1 1 353.419 2.302 20 5 FEBDMO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000796156176 683133817 /nfs/dbraw/zinc/13/38/17/683133817.db2.gz FTCXAVQOKLOJCK-CQSZACIVSA-N 1 1 353.423 2.172 20 5 FEBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859922497 683172749 /nfs/dbraw/zinc/17/27/49/683172749.db2.gz ISGKYBIQWLOGNX-MEDUHNTESA-N 1 1 353.806 2.281 20 5 FEBDMO O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000859922497 683172754 /nfs/dbraw/zinc/17/27/54/683172754.db2.gz ISGKYBIQWLOGNX-MEDUHNTESA-N 1 1 353.806 2.281 20 5 FEBDMO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000797518550 683256206 /nfs/dbraw/zinc/25/62/06/683256206.db2.gz BXIURNYXKKUTIM-UHFFFAOYSA-N 1 1 352.387 2.148 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797528819 683257287 /nfs/dbraw/zinc/25/72/87/683257287.db2.gz XIVNWGCAVPXLGI-KJWYOANISA-N 1 1 350.415 2.287 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1COC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000861036258 683335151 /nfs/dbraw/zinc/33/51/51/683335151.db2.gz ZFOIRLJSCRDJJS-JSGCOSHPSA-N 1 1 354.378 2.491 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928086426 683376070 /nfs/dbraw/zinc/37/60/70/683376070.db2.gz OJKVUVYHGOFVFA-GXTWGEPZSA-N 1 1 365.455 2.303 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928086426 683376082 /nfs/dbraw/zinc/37/60/82/683376082.db2.gz OJKVUVYHGOFVFA-GXTWGEPZSA-N 1 1 365.455 2.303 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000799396044 683451628 /nfs/dbraw/zinc/45/16/28/683451628.db2.gz JVPNNYIGTXCWSD-UHFFFAOYSA-N 1 1 369.853 2.396 20 5 FEBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000922156314 683671316 /nfs/dbraw/zinc/67/13/16/683671316.db2.gz MHXNSFJVEYCUCZ-NSHDSACASA-N 1 1 356.220 2.110 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000931296451 684257388 /nfs/dbraw/zinc/25/73/88/684257388.db2.gz HKBYZIUUCOXRGV-CHWSQXEVSA-N 1 1 368.821 2.311 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931434830 684282571 /nfs/dbraw/zinc/28/25/71/684282571.db2.gz YHIYUZJTBRGITP-NEPJUHHUSA-N 1 1 352.822 2.070 20 5 FEBDMO COC1(OC)CCOC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000931675656 684327051 /nfs/dbraw/zinc/32/70/51/684327051.db2.gz ORHRGPMCDADEDU-CYBMUJFWSA-N 1 1 364.320 2.481 20 5 FEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000931725105 684337598 /nfs/dbraw/zinc/33/75/98/684337598.db2.gz OWDDVGKYJDLMFC-QWHCGFSZSA-N 1 1 352.822 2.355 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000925763238 684583539 /nfs/dbraw/zinc/58/35/39/684583539.db2.gz RDNDAVUQAMZWTF-CABCVRRESA-N 1 1 370.247 2.214 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1C ZINC000872663789 685000279 /nfs/dbraw/zinc/00/02/79/685000279.db2.gz LITBFDRFONRZDQ-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1C ZINC000872663789 685000283 /nfs/dbraw/zinc/00/02/83/685000283.db2.gz LITBFDRFONRZDQ-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000872666115 685001592 /nfs/dbraw/zinc/00/15/92/685001592.db2.gz WSBKDGGHWILUND-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872666404 685001695 /nfs/dbraw/zinc/00/16/95/685001695.db2.gz UXSVEQAEYYFVLP-UONOGXRCSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872666404 685001697 /nfs/dbraw/zinc/00/16/97/685001697.db2.gz UXSVEQAEYYFVLP-UONOGXRCSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1nn(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000872688143 685005165 /nfs/dbraw/zinc/00/51/65/685005165.db2.gz KISANPIBIJRPED-GXFFZTMASA-N 1 1 358.320 2.313 20 5 FEBDMO Cc1nn(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c2ccc([N+](=O)[O-])cc12 ZINC000872688143 685005168 /nfs/dbraw/zinc/00/51/68/685005168.db2.gz KISANPIBIJRPED-GXFFZTMASA-N 1 1 358.320 2.313 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000881936266 687265554 /nfs/dbraw/zinc/26/55/54/687265554.db2.gz ZFKSJGJXMIXVBJ-QWRGUYRKSA-N 1 1 361.851 2.318 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000882045339 687292352 /nfs/dbraw/zinc/29/23/52/687292352.db2.gz YHPOEMJLLXFAFU-UHFFFAOYSA-N 1 1 359.835 2.097 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000882515389 687383283 /nfs/dbraw/zinc/38/32/83/687383283.db2.gz DXQRVMOKVHLJAL-CHWSQXEVSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000882515389 687383286 /nfs/dbraw/zinc/38/32/86/687383286.db2.gz DXQRVMOKVHLJAL-CHWSQXEVSA-N 1 1 373.862 2.414 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000885874848 688175460 /nfs/dbraw/zinc/17/54/60/688175460.db2.gz BIISLPQCCVYOIG-ZDUSSCGKSA-N 1 1 353.806 2.231 20 5 FEBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412802 688249077 /nfs/dbraw/zinc/24/90/77/688249077.db2.gz SUGWNHBMVYBSGH-CYBMUJFWSA-N 1 1 353.423 2.123 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1OC(F)F ZINC000897221838 689990777 /nfs/dbraw/zinc/99/07/77/689990777.db2.gz PATTZPAJRRRPOC-QWHCGFSZSA-N 1 1 357.357 2.232 20 5 FEBDMO CSCC1CC[NH+]([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000899244782 690324842 /nfs/dbraw/zinc/32/48/42/690324842.db2.gz HKYMNSLSRCFQPI-OAHLLOKOSA-N 1 1 363.439 2.302 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000902904414 690818896 /nfs/dbraw/zinc/81/88/96/690818896.db2.gz KJAZXUQOAJQSBQ-KGLIPLIRSA-N 1 1 354.407 2.435 20 5 FEBDMO CCc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153178760 719458727 /nfs/dbraw/zinc/45/87/27/719458727.db2.gz ABBMJOZICIDHHA-IAGOWNOFSA-N 1 1 369.425 2.133 20 5 FEBDMO CNC(=O)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007995888 539473958 /nfs/dbraw/zinc/47/39/58/539473958.db2.gz NONUOHAMRRFXBK-CYBMUJFWSA-N 1 1 370.409 2.413 20 5 FEBDMO CNC(=O)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007995888 539473962 /nfs/dbraw/zinc/47/39/62/539473962.db2.gz NONUOHAMRRFXBK-CYBMUJFWSA-N 1 1 370.409 2.413 20 5 FEBDMO CNc1ccc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000021052142 539679963 /nfs/dbraw/zinc/67/99/63/539679963.db2.gz DIHAZGZTXCBABA-BETUJISGSA-N 1 1 364.446 2.254 20 5 FEBDMO CNc1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000021052142 539679968 /nfs/dbraw/zinc/67/99/68/539679968.db2.gz DIHAZGZTXCBABA-BETUJISGSA-N 1 1 364.446 2.254 20 5 FEBDMO C[N@@H+](CCOc1ccc(F)cc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025699109 539766747 /nfs/dbraw/zinc/76/67/47/539766747.db2.gz ZWKXCMLBURGHBQ-MRXNPFEDSA-N 1 1 364.373 2.484 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CCc2ccccc2C1 ZINC000031337642 539905968 /nfs/dbraw/zinc/90/59/68/539905968.db2.gz WPTKYBXBEJTZNY-UHFFFAOYSA-N 1 1 355.394 2.148 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000032441262 539939583 /nfs/dbraw/zinc/93/95/83/539939583.db2.gz QQSXLMUWOIFNNX-OLZOCXBDSA-N 1 1 355.460 2.444 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000045744863 540224974 /nfs/dbraw/zinc/22/49/74/540224974.db2.gz PIURGLHEQFNKJR-OLZOCXBDSA-N 1 1 371.459 2.002 20 5 FEBDMO CCOC(=O)N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000045799642 540228870 /nfs/dbraw/zinc/22/88/70/540228870.db2.gz KRTNNTRVWAUGEO-UHFFFAOYSA-N 1 1 364.402 2.006 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000047226918 540297808 /nfs/dbraw/zinc/29/78/08/540297808.db2.gz DLGFSLCOBIXAJO-HZPDHXFCSA-N 1 1 361.398 2.128 20 5 FEBDMO Cc1cccc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000050799780 540414987 /nfs/dbraw/zinc/41/49/87/540414987.db2.gz UZZAKTMWMADZGH-UHFFFAOYSA-N 1 1 360.458 2.192 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000051043261 540419923 /nfs/dbraw/zinc/41/99/23/540419923.db2.gz AZSLUSVQTFBUPR-KBPBESRZSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000051043261 540419926 /nfs/dbraw/zinc/41/99/26/540419926.db2.gz AZSLUSVQTFBUPR-KBPBESRZSA-N 1 1 362.430 2.160 20 5 FEBDMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1[N+](=O)[O-] ZINC000051128732 540423168 /nfs/dbraw/zinc/42/31/68/540423168.db2.gz AXXBQUFMPBKBHD-UHFFFAOYSA-N 1 1 368.437 2.029 20 5 FEBDMO C[NH+]1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)CC1 ZINC000052161177 540456403 /nfs/dbraw/zinc/45/64/03/540456403.db2.gz WAMRZAIGYNTRBM-UHFFFAOYSA-N 1 1 366.849 2.239 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000054626085 540599211 /nfs/dbraw/zinc/59/92/11/540599211.db2.gz NPOQEHYZRUGARQ-UHFFFAOYSA-N 1 1 367.365 2.179 20 5 FEBDMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000056965591 540758741 /nfs/dbraw/zinc/75/87/41/540758741.db2.gz LCCSXNKGILOXEN-UHFFFAOYSA-N 1 1 354.410 2.147 20 5 FEBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000057138227 540771647 /nfs/dbraw/zinc/77/16/47/540771647.db2.gz PNVCRHVKFPVIDH-UHFFFAOYSA-N 1 1 360.336 2.236 20 5 FEBDMO COc1ccc(CSCC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057710088 540810520 /nfs/dbraw/zinc/81/05/20/540810520.db2.gz BOLDSLPJMWROIZ-GFCCVEGCSA-N 1 1 367.471 2.436 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000058561394 540849127 /nfs/dbraw/zinc/84/91/27/540849127.db2.gz UTTAEPUVSQCSBO-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000060089887 540868228 /nfs/dbraw/zinc/86/82/28/540868228.db2.gz SYIUTPFFRKVKBH-UHFFFAOYSA-N 1 1 350.419 2.032 20 5 FEBDMO CCOc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247372990 549326193 /nfs/dbraw/zinc/32/61/93/549326193.db2.gz KYOOBARLLNHGKB-TZMCWYRMSA-N 1 1 365.430 2.414 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[N@@H+](C)[C@@H](C)CC)cc([N+](=O)[O-])c1 ZINC000066137891 541284471 /nfs/dbraw/zinc/28/44/71/541284471.db2.gz RYYGONZMDFTZDD-LBPRGKRZSA-N 1 1 351.403 2.232 20 5 FEBDMO CCCC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000066543525 541333280 /nfs/dbraw/zinc/33/32/80/541333280.db2.gz JNKYDWXWYWDUKQ-CQSZACIVSA-N 1 1 356.444 2.263 20 5 FEBDMO CCCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000066543525 541333283 /nfs/dbraw/zinc/33/32/83/541333283.db2.gz JNKYDWXWYWDUKQ-CQSZACIVSA-N 1 1 356.444 2.263 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067149266 541425306 /nfs/dbraw/zinc/42/53/06/541425306.db2.gz RVSUYLQJORKULL-AWEZNQCLSA-N 1 1 372.429 2.026 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000067398281 541457152 /nfs/dbraw/zinc/45/71/52/541457152.db2.gz RTLDUQBARJXQEQ-JSGCOSHPSA-N 1 1 362.430 2.078 20 5 FEBDMO CC(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067419499 541462075 /nfs/dbraw/zinc/46/20/75/541462075.db2.gz NHKLDBPFNANKJE-HNNXBMFYSA-N 1 1 362.430 2.080 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000067998326 541536942 /nfs/dbraw/zinc/53/69/42/541536942.db2.gz RLJXYEGUJYKEKJ-TXEJJXNPSA-N 1 1 355.822 2.477 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072808051 541869719 /nfs/dbraw/zinc/86/97/19/541869719.db2.gz PYYYJXYZFUJNQA-GOEBONIOSA-N 1 1 363.462 2.213 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072858595 541884078 /nfs/dbraw/zinc/88/40/78/541884078.db2.gz NISOCXGQGWLUOJ-LBPRGKRZSA-N 1 1 354.838 2.460 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)[C@H](C)C1 ZINC000076484272 542284461 /nfs/dbraw/zinc/28/44/61/542284461.db2.gz BYWXTIWTSYDTDN-DOMZBBRYSA-N 1 1 363.414 2.168 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000078584034 542468941 /nfs/dbraw/zinc/46/89/41/542468941.db2.gz LTUUWMCKLQSZRM-CQSZACIVSA-N 1 1 371.441 2.337 20 5 FEBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1nnc2ccccn21 ZINC000081018149 542625271 /nfs/dbraw/zinc/62/52/71/542625271.db2.gz WGDUOCBOZKPWAT-UHFFFAOYSA-N 1 1 354.370 2.098 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1nnc2ccccn21 ZINC000081018149 542625274 /nfs/dbraw/zinc/62/52/74/542625274.db2.gz WGDUOCBOZKPWAT-UHFFFAOYSA-N 1 1 354.370 2.098 20 5 FEBDMO O=C(c1cccs1)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090551728 542786051 /nfs/dbraw/zinc/78/60/51/542786051.db2.gz YVRCHYAWTHGESB-UHFFFAOYSA-N 1 1 361.423 2.413 20 5 FEBDMO Cc1cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089961495 542777458 /nfs/dbraw/zinc/77/74/58/542777458.db2.gz VJPVWEGVYVCSKC-ZWKOTPCHSA-N 1 1 369.421 2.268 20 5 FEBDMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000089961824 542778632 /nfs/dbraw/zinc/77/86/32/542778632.db2.gz LSWPRIKQNFOSHX-CABCVRRESA-N 1 1 361.423 2.022 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089963368 542779675 /nfs/dbraw/zinc/77/96/75/542779675.db2.gz WDJPRCKQLRMRLC-ZWKOTPCHSA-N 1 1 369.421 2.268 20 5 FEBDMO CC1(C)CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000104652298 543135949 /nfs/dbraw/zinc/13/59/49/543135949.db2.gz ITNZKMFLFPZYFH-UHFFFAOYSA-N 1 1 371.441 2.304 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCN1c1cccnn1 ZINC000106086022 543192963 /nfs/dbraw/zinc/19/29/63/543192963.db2.gz QJFZYSVQLGSTFA-MRXNPFEDSA-N 1 1 357.414 2.364 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000106891519 543253140 /nfs/dbraw/zinc/25/31/40/543253140.db2.gz CBBYUTQGTYXSDQ-ZDUSSCGKSA-N 1 1 353.444 2.198 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1OC ZINC000108304988 543285912 /nfs/dbraw/zinc/28/59/12/543285912.db2.gz IZPIKRNGWZKBQR-CYBMUJFWSA-N 1 1 363.414 2.216 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 ZINC000110814727 543369694 /nfs/dbraw/zinc/36/96/94/543369694.db2.gz AOBKWKWLKDBCMJ-UHFFFAOYSA-N 1 1 350.375 2.288 20 5 FEBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111221047 543385876 /nfs/dbraw/zinc/38/58/76/543385876.db2.gz QAUBZJATKIPMQZ-JSGCOSHPSA-N 1 1 358.398 2.378 20 5 FEBDMO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000111911553 543425141 /nfs/dbraw/zinc/42/51/41/543425141.db2.gz ZVKBWUZFQQYBIU-CQSZACIVSA-N 1 1 370.409 2.170 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000112620155 543453958 /nfs/dbraw/zinc/45/39/58/543453958.db2.gz IMXDSWAMDMKACH-CYBMUJFWSA-N 1 1 363.414 2.360 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112922700 543468381 /nfs/dbraw/zinc/46/83/81/543468381.db2.gz KENVMGSPEMYING-ZDUSSCGKSA-N 1 1 368.865 2.252 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000112922735 543469155 /nfs/dbraw/zinc/46/91/55/543469155.db2.gz MEEGAQNDVFYXPY-ZDUSSCGKSA-N 1 1 368.865 2.252 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000113986963 543500329 /nfs/dbraw/zinc/50/03/29/543500329.db2.gz MIKHHZHJANMHBI-KBPBESRZSA-N 1 1 362.430 2.422 20 5 FEBDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000114186925 543506534 /nfs/dbraw/zinc/50/65/34/543506534.db2.gz BBSSODLFEBAGGI-CABCVRRESA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000114186925 543506537 /nfs/dbraw/zinc/50/65/37/543506537.db2.gz BBSSODLFEBAGGI-CABCVRRESA-N 1 1 351.403 2.167 20 5 FEBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000118119375 543646923 /nfs/dbraw/zinc/64/69/23/543646923.db2.gz LJHKTHJCWTUYDP-UHFFFAOYSA-N 1 1 356.810 2.033 20 5 FEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869536 543728371 /nfs/dbraw/zinc/72/83/71/543728371.db2.gz KJLSRYHFMVEZOK-NEPJUHHUSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000124407703 543819090 /nfs/dbraw/zinc/81/90/90/543819090.db2.gz OWVNHCURBOAARH-KGLIPLIRSA-N 1 1 357.414 2.335 20 5 FEBDMO Cc1ccc(NCCCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)[nH+]c1 ZINC000127774948 544012737 /nfs/dbraw/zinc/01/27/37/544012737.db2.gz AIRJEJBEHUETGZ-UHFFFAOYSA-N 1 1 362.361 2.435 20 5 FEBDMO CCC[C@@H]1CN(C(=O)Cc2cccc([N+](=O)[O-])c2C)CC[N@H+]1CCOC ZINC000128008407 544027306 /nfs/dbraw/zinc/02/73/06/544027306.db2.gz GILUQNNVACPGDN-QGZVFWFLSA-N 1 1 363.458 2.405 20 5 FEBDMO CCOCC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000127486128 543996387 /nfs/dbraw/zinc/99/63/87/543996387.db2.gz CIMIIOAPDONRPO-UHFFFAOYSA-N 1 1 359.373 2.350 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[N@H+]1C1CC1 ZINC000127614449 544003966 /nfs/dbraw/zinc/00/39/66/544003966.db2.gz LWTVYKQKGABEPT-GJZGRUSLSA-N 1 1 373.457 2.052 20 5 FEBDMO CCC[N@@H+]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000128292496 544044356 /nfs/dbraw/zinc/04/43/56/544044356.db2.gz ZHWAKAADANTWLI-UHFFFAOYSA-N 1 1 361.851 2.355 20 5 FEBDMO CCC[N@H+]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000128292496 544044360 /nfs/dbraw/zinc/04/43/60/544044360.db2.gz ZHWAKAADANTWLI-UHFFFAOYSA-N 1 1 361.851 2.355 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130150269 544140551 /nfs/dbraw/zinc/14/05/51/544140551.db2.gz HBMADEBOHSKFSS-UHFFFAOYSA-N 1 1 368.397 2.496 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000130606611 544157837 /nfs/dbraw/zinc/15/78/37/544157837.db2.gz JPVJQWJAQZMVIW-UHFFFAOYSA-N 1 1 361.358 2.479 20 5 FEBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000130936634 544171348 /nfs/dbraw/zinc/17/13/48/544171348.db2.gz XGLRJIZIDNYKBC-UHFFFAOYSA-N 1 1 367.402 2.491 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000247505226 549346179 /nfs/dbraw/zinc/34/61/79/549346179.db2.gz IUWDCDGRTLMGIO-DGCLKSJQSA-N 1 1 359.386 2.164 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000136226339 544369202 /nfs/dbraw/zinc/36/92/02/544369202.db2.gz BOUUAEMROFJNMA-TXEJJXNPSA-N 1 1 355.822 2.477 20 5 FEBDMO C[N@@H+]1CCC[C@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839440 544405007 /nfs/dbraw/zinc/40/50/07/544405007.db2.gz HQUGYORKNNLVMW-HOCLYGCPSA-N 1 1 374.441 2.309 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839440 544405008 /nfs/dbraw/zinc/40/50/08/544405008.db2.gz HQUGYORKNNLVMW-HOCLYGCPSA-N 1 1 374.441 2.309 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000151834883 544586265 /nfs/dbraw/zinc/58/62/65/544586265.db2.gz ZKUIOMFKZSPFNZ-HOCLYGCPSA-N 1 1 359.382 2.375 20 5 FEBDMO O=C1C[C@@H](c2ccccc2)[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCN1 ZINC000153880519 544834612 /nfs/dbraw/zinc/83/46/12/544834612.db2.gz CORHVHJEAADZCN-ROUUACIJSA-N 1 1 355.394 2.191 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000154110054 544865493 /nfs/dbraw/zinc/86/54/93/544865493.db2.gz SKPUNDGLPANRLN-ZDUSSCGKSA-N 1 1 367.471 2.405 20 5 FEBDMO C[N@@H+](C[C@@H](O)COCc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154250988 544881259 /nfs/dbraw/zinc/88/12/59/544881259.db2.gz AETBFCYIRSUSHR-MOPGFXCFSA-N 1 1 360.410 2.138 20 5 FEBDMO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000155087472 544987779 /nfs/dbraw/zinc/98/77/79/544987779.db2.gz DRGMVYGFNQVMOF-JSGCOSHPSA-N 1 1 363.414 2.168 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000179499548 327646857 /nfs/dbraw/zinc/64/68/57/327646857.db2.gz JMNQUYCAIPZJJK-LBPRGKRZSA-N 1 1 351.794 2.014 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000188023983 328061091 /nfs/dbraw/zinc/06/10/91/328061091.db2.gz BSFQBLSDCBQJBX-SJCJKPOMSA-N 1 1 351.403 2.025 20 5 FEBDMO CSc1cccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1[N+](=O)[O-] ZINC000188254853 328076085 /nfs/dbraw/zinc/07/60/85/328076085.db2.gz ZADDLNMXBMISJI-ZDUSSCGKSA-N 1 1 367.471 2.283 20 5 FEBDMO CCCN1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000189410712 328146480 /nfs/dbraw/zinc/14/64/80/328146480.db2.gz IFTWUMJWDVAEAR-UHFFFAOYSA-N 1 1 362.430 2.176 20 5 FEBDMO CCCN1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000189410712 328146482 /nfs/dbraw/zinc/14/64/82/328146482.db2.gz IFTWUMJWDVAEAR-UHFFFAOYSA-N 1 1 362.430 2.176 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189672599 328161310 /nfs/dbraw/zinc/16/13/10/328161310.db2.gz PNZSBUMIHRNSCS-QGZVFWFLSA-N 1 1 357.414 2.051 20 5 FEBDMO COc1cc(C[NH+]2CCC(Cn3cncn3)CC2)c([N+](=O)[O-])cc1OC ZINC000189978754 328180216 /nfs/dbraw/zinc/18/02/16/328180216.db2.gz TYIYHMPHHWRVGH-UHFFFAOYSA-N 1 1 361.402 2.116 20 5 FEBDMO COc1ccnc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC ZINC000190878515 328237942 /nfs/dbraw/zinc/23/79/42/328237942.db2.gz RIHKKOGQTNLBRL-LBPRGKRZSA-N 1 1 359.386 2.088 20 5 FEBDMO COc1ccnc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1OC ZINC000190878515 328237943 /nfs/dbraw/zinc/23/79/43/328237943.db2.gz RIHKKOGQTNLBRL-LBPRGKRZSA-N 1 1 359.386 2.088 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000192061991 328297789 /nfs/dbraw/zinc/29/77/89/328297789.db2.gz YYJUGOISSFARBA-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000192498388 328322444 /nfs/dbraw/zinc/32/24/44/328322444.db2.gz KKWRDPLVQCGGEI-UHFFFAOYSA-N 1 1 372.473 2.479 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000193216180 328362902 /nfs/dbraw/zinc/36/29/02/328362902.db2.gz UXMXTLJYLXDZIT-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193705347 328390485 /nfs/dbraw/zinc/39/04/85/328390485.db2.gz UHQKIXZPBOULLQ-CQSZACIVSA-N 1 1 362.386 2.241 20 5 FEBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193705347 328390486 /nfs/dbraw/zinc/39/04/86/328390486.db2.gz UHQKIXZPBOULLQ-CQSZACIVSA-N 1 1 362.386 2.241 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000008896224 324364199 /nfs/dbraw/zinc/36/41/99/324364199.db2.gz KKXFJCZMWVPDLX-CQSZACIVSA-N 1 1 355.441 2.238 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000078562975 325052018 /nfs/dbraw/zinc/05/20/18/325052018.db2.gz PYMDLJCPDSKZJQ-ZDUSSCGKSA-N 1 1 350.419 2.335 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087330022 325280208 /nfs/dbraw/zinc/28/02/08/325280208.db2.gz NFEGGVYOIQQCSR-UHFFFAOYSA-N 1 1 362.474 2.061 20 5 FEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000089303375 325310817 /nfs/dbraw/zinc/31/08/17/325310817.db2.gz OTUZITDNTQTGLB-IBGZPJMESA-N 1 1 369.421 2.155 20 5 FEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000089303375 325310819 /nfs/dbraw/zinc/31/08/19/325310819.db2.gz OTUZITDNTQTGLB-IBGZPJMESA-N 1 1 369.421 2.155 20 5 FEBDMO COc1cc(C)c(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1OC ZINC000090511464 325361757 /nfs/dbraw/zinc/36/17/57/325361757.db2.gz AYRJMLBVHDXQPR-UHFFFAOYSA-N 1 1 361.398 2.214 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)COc3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000116667668 326028973 /nfs/dbraw/zinc/02/89/73/326028973.db2.gz DQFOLLZGUSKVAM-UHFFFAOYSA-N 1 1 370.409 2.462 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)CC2)[nH+]1 ZINC000116836776 326038353 /nfs/dbraw/zinc/03/83/53/326038353.db2.gz NCZCMTPMGLYABZ-UHFFFAOYSA-N 1 1 373.388 2.418 20 5 FEBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000118751918 326100545 /nfs/dbraw/zinc/10/05/45/326100545.db2.gz YUEZAXNMJWTYLY-GFCCVEGCSA-N 1 1 356.810 2.169 20 5 FEBDMO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842885 326107040 /nfs/dbraw/zinc/10/70/40/326107040.db2.gz KVAHPRHGAYZBJG-LBPRGKRZSA-N 1 1 354.838 2.460 20 5 FEBDMO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000118866523 326110135 /nfs/dbraw/zinc/11/01/35/326110135.db2.gz XIHMWOBAEMJIGD-OAHLLOKOSA-N 1 1 367.409 2.065 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000118866523 326110138 /nfs/dbraw/zinc/11/01/38/326110138.db2.gz XIHMWOBAEMJIGD-OAHLLOKOSA-N 1 1 367.409 2.065 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000119083375 326125428 /nfs/dbraw/zinc/12/54/28/326125428.db2.gz IJNKRROJPGUIMT-UHFFFAOYSA-N 1 1 352.416 2.119 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)n2)c1 ZINC000119132035 326130446 /nfs/dbraw/zinc/13/04/46/326130446.db2.gz RYEIRFJUHMESGP-CYBMUJFWSA-N 1 1 369.385 2.149 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)n2)c1 ZINC000119132035 326130449 /nfs/dbraw/zinc/13/04/49/326130449.db2.gz RYEIRFJUHMESGP-CYBMUJFWSA-N 1 1 369.385 2.149 20 5 FEBDMO CC[N@H+](CCO)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000119932168 326213757 /nfs/dbraw/zinc/21/37/57/326213757.db2.gz NETRPAKCRQGQDE-LLVKDONJSA-N 1 1 364.427 2.360 20 5 FEBDMO CC[N@@H+](CCO)[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000119932168 326213760 /nfs/dbraw/zinc/21/37/60/326213760.db2.gz NETRPAKCRQGQDE-LLVKDONJSA-N 1 1 364.427 2.360 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000120329019 326249905 /nfs/dbraw/zinc/24/99/05/326249905.db2.gz KCLOKRRGCZJKRS-LBPRGKRZSA-N 1 1 350.419 2.301 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000121184148 326319892 /nfs/dbraw/zinc/31/98/92/326319892.db2.gz LXBYZKTWJKNMKA-DYVFJYSZSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1C ZINC000121455060 326339891 /nfs/dbraw/zinc/33/98/91/326339891.db2.gz BRTLVZGQNFSXRG-DGCLKSJQSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1C ZINC000121455060 326339893 /nfs/dbraw/zinc/33/98/93/326339893.db2.gz BRTLVZGQNFSXRG-DGCLKSJQSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000122388789 326394807 /nfs/dbraw/zinc/39/48/07/326394807.db2.gz MUSIXMJEYFMABT-GDBMZVCRSA-N 1 1 367.471 2.316 20 5 FEBDMO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000123246992 326425179 /nfs/dbraw/zinc/42/51/79/326425179.db2.gz SWEGXPFFFGKOBP-NXEZZACHSA-N 1 1 368.242 2.450 20 5 FEBDMO O=[N+]([O-])c1cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c2c(c1)COCO2 ZINC000135908028 326648442 /nfs/dbraw/zinc/64/84/42/326648442.db2.gz NPEOUYUJEPKQHE-LJQANCHMSA-N 1 1 356.378 2.385 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000159131501 326919963 /nfs/dbraw/zinc/91/99/63/326919963.db2.gz PLYGADGFPNKPGA-KRWDZBQOSA-N 1 1 360.414 2.283 20 5 FEBDMO Cc1cccc(N2CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)c1C ZINC000159738724 326940415 /nfs/dbraw/zinc/94/04/15/326940415.db2.gz LULCHJPGYGLXQC-UHFFFAOYSA-N 1 1 356.426 2.196 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000163378997 327049911 /nfs/dbraw/zinc/04/99/11/327049911.db2.gz OBAXFFQDESERQJ-LJQANCHMSA-N 1 1 371.441 2.421 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)CCO1 ZINC000170639717 327089876 /nfs/dbraw/zinc/08/98/76/327089876.db2.gz GKKGRNMJOLATPE-CYBMUJFWSA-N 1 1 374.441 2.169 20 5 FEBDMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000170733471 327095775 /nfs/dbraw/zinc/09/57/75/327095775.db2.gz MXXLPKGDDPHLDA-LBPRGKRZSA-N 1 1 359.386 2.122 20 5 FEBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000170733471 327095776 /nfs/dbraw/zinc/09/57/76/327095776.db2.gz MXXLPKGDDPHLDA-LBPRGKRZSA-N 1 1 359.386 2.122 20 5 FEBDMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000172018542 327176352 /nfs/dbraw/zinc/17/63/52/327176352.db2.gz LBYQFHFOGNDTOW-UHFFFAOYSA-N 1 1 367.833 2.319 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCCn1cc[nH+]c1C ZINC000173309052 327248658 /nfs/dbraw/zinc/24/86/58/327248658.db2.gz VVTJZNXVYSWQAI-UHFFFAOYSA-N 1 1 366.443 2.421 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173955754 327297568 /nfs/dbraw/zinc/29/75/68/327297568.db2.gz VENCNZXVNWVJEQ-AWEZNQCLSA-N 1 1 355.460 2.256 20 5 FEBDMO COc1ccc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)cc1[N+](=O)[O-] ZINC000174170838 327310334 /nfs/dbraw/zinc/31/03/34/327310334.db2.gz RBIFNRHKAVIPEP-UHFFFAOYSA-N 1 1 363.443 2.476 20 5 FEBDMO COc1ccc(C[N@H+]2CCCN(c3nc(C)ns3)CC2)cc1[N+](=O)[O-] ZINC000174170838 327310335 /nfs/dbraw/zinc/31/03/35/327310335.db2.gz RBIFNRHKAVIPEP-UHFFFAOYSA-N 1 1 363.443 2.476 20 5 FEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000174299621 327318171 /nfs/dbraw/zinc/31/81/71/327318171.db2.gz WOJZADUSWAXTLB-UONOGXRCSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000174299621 327318172 /nfs/dbraw/zinc/31/81/72/327318172.db2.gz WOJZADUSWAXTLB-UONOGXRCSA-N 1 1 363.458 2.419 20 5 FEBDMO COc1ccccc1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO1 ZINC000174863383 327355940 /nfs/dbraw/zinc/35/59/40/327355940.db2.gz NYSPSHOMGAIVSI-KRWDZBQOSA-N 1 1 360.414 2.481 20 5 FEBDMO COc1ccccc1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCO1 ZINC000174863383 327355941 /nfs/dbraw/zinc/35/59/41/327355941.db2.gz NYSPSHOMGAIVSI-KRWDZBQOSA-N 1 1 360.414 2.481 20 5 FEBDMO COC(=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(F)c1F ZINC000174882628 327357893 /nfs/dbraw/zinc/35/78/93/327357893.db2.gz QIUUXWWXYXSBNF-UHFFFAOYSA-N 1 1 368.340 2.135 20 5 FEBDMO COC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(F)c1F ZINC000174882628 327357894 /nfs/dbraw/zinc/35/78/94/327357894.db2.gz QIUUXWWXYXSBNF-UHFFFAOYSA-N 1 1 368.340 2.135 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000264926079 329075240 /nfs/dbraw/zinc/07/52/40/329075240.db2.gz LUZZJUQSBWMEDJ-UHFFFAOYSA-N 1 1 358.398 2.405 20 5 FEBDMO COC(=O)[C@@H]1CC12CC[NH+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000265080079 329088754 /nfs/dbraw/zinc/08/87/54/329088754.db2.gz RCWNSEVOFJDXEO-OLZOCXBDSA-N 1 1 361.398 2.197 20 5 FEBDMO COC(=O)[C@@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000265109209 329092078 /nfs/dbraw/zinc/09/20/78/329092078.db2.gz ZPEJHXATHKQMHD-WFASDCNBSA-N 1 1 361.398 2.197 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000266046295 329184858 /nfs/dbraw/zinc/18/48/58/329184858.db2.gz XSNOBMPVKOEAKU-MRXNPFEDSA-N 1 1 350.415 2.227 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000266158389 329195961 /nfs/dbraw/zinc/19/59/61/329195961.db2.gz ONVRBDWCLNGTDX-HNNXBMFYSA-N 1 1 363.414 2.119 20 5 FEBDMO Cc1nsc(N2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000266621178 329242525 /nfs/dbraw/zinc/24/25/25/329242525.db2.gz ZWYXMABVJQNJJF-UHFFFAOYSA-N 1 1 363.443 2.346 20 5 FEBDMO Cc1nsc(N2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000266621178 329242526 /nfs/dbraw/zinc/24/25/26/329242526.db2.gz ZWYXMABVJQNJJF-UHFFFAOYSA-N 1 1 363.443 2.346 20 5 FEBDMO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000266818019 329262537 /nfs/dbraw/zinc/26/25/37/329262537.db2.gz XIABUWWWCQTWIJ-TZMCWYRMSA-N 1 1 350.419 2.228 20 5 FEBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267068657 329288742 /nfs/dbraw/zinc/28/87/42/329288742.db2.gz VHSBLCCSNCRHKI-JSGCOSHPSA-N 1 1 353.394 2.097 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3ccc4ccccc4n3)CC2)c1 ZINC000267282102 329310336 /nfs/dbraw/zinc/31/03/36/329310336.db2.gz IEXWUAOSHUNNGO-UHFFFAOYSA-N 1 1 352.398 2.162 20 5 FEBDMO CNC(=O)CN1CCC(Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000272786706 329813539 /nfs/dbraw/zinc/81/35/39/329813539.db2.gz BLXMKDNXTFANFE-UHFFFAOYSA-N 1 1 357.414 2.074 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000275449586 330049880 /nfs/dbraw/zinc/04/98/80/330049880.db2.gz NNVKFBRMXSTSMI-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1CC(C)(C)O ZINC000275571061 330064913 /nfs/dbraw/zinc/06/49/13/330064913.db2.gz JMOBNRIAXKHZEA-GFCCVEGCSA-N 1 1 361.398 2.258 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1CC(C)(C)O ZINC000275571061 330064914 /nfs/dbraw/zinc/06/49/14/330064914.db2.gz JMOBNRIAXKHZEA-GFCCVEGCSA-N 1 1 361.398 2.258 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000276050251 330114695 /nfs/dbraw/zinc/11/46/95/330114695.db2.gz ACBWJCUBIOJZSE-MRXNPFEDSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000276050251 330114697 /nfs/dbraw/zinc/11/46/97/330114697.db2.gz ACBWJCUBIOJZSE-MRXNPFEDSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276050251 330114699 /nfs/dbraw/zinc/11/46/99/330114699.db2.gz ACBWJCUBIOJZSE-MRXNPFEDSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276050251 330114701 /nfs/dbraw/zinc/11/47/01/330114701.db2.gz ACBWJCUBIOJZSE-MRXNPFEDSA-N 1 1 360.458 2.286 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000276304378 330138802 /nfs/dbraw/zinc/13/88/02/330138802.db2.gz NPGRAWRCSGVVRI-OAHLLOKOSA-N 1 1 367.471 2.453 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367155192 330223284 /nfs/dbraw/zinc/22/32/84/330223284.db2.gz BHMLLRKULQGSRK-DLBZAZTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367155192 330223286 /nfs/dbraw/zinc/22/32/86/330223286.db2.gz BHMLLRKULQGSRK-DLBZAZTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367160259 330224233 /nfs/dbraw/zinc/22/42/33/330224233.db2.gz ZLTQPOLXICFECC-DLBZAZTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000367160259 330224234 /nfs/dbraw/zinc/22/42/34/330224234.db2.gz ZLTQPOLXICFECC-DLBZAZTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367160262 330224392 /nfs/dbraw/zinc/22/43/92/330224392.db2.gz ZLTQPOLXICFECC-SJORKVTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000367160262 330224394 /nfs/dbraw/zinc/22/43/94/330224394.db2.gz ZLTQPOLXICFECC-SJORKVTESA-N 1 1 363.414 2.112 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@@H]1Cn1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375785713 330251345 /nfs/dbraw/zinc/25/13/45/330251345.db2.gz CXMQLFOXQVYGCZ-QGZVFWFLSA-N 1 1 369.425 2.235 20 5 FEBDMO O=C(C[N@H+]1CCCC[C@@H]1Cn1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375785713 330251346 /nfs/dbraw/zinc/25/13/46/330251346.db2.gz CXMQLFOXQVYGCZ-QGZVFWFLSA-N 1 1 369.425 2.235 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155580106 545545665 /nfs/dbraw/zinc/54/56/65/545545665.db2.gz BOHPKWISTYWBHB-CXAGYDPISA-N 1 1 363.414 2.433 20 5 FEBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156547723 545634803 /nfs/dbraw/zinc/63/48/03/545634803.db2.gz SGAHHYFCFUHKHK-HFTRVMKXSA-N 1 1 360.414 2.114 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000157306228 545725662 /nfs/dbraw/zinc/72/56/62/545725662.db2.gz OYCGNFITTNSCCM-KDOFPFPSSA-N 1 1 369.425 2.337 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158600486 545875230 /nfs/dbraw/zinc/87/52/30/545875230.db2.gz WVHUNTWEXQNUMY-CYBMUJFWSA-N 1 1 353.444 2.232 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000158708093 545887711 /nfs/dbraw/zinc/88/77/11/545887711.db2.gz CLDULRQOGNUNMK-UHFFFAOYSA-N 1 1 370.409 2.416 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000158965112 545909195 /nfs/dbraw/zinc/90/91/95/545909195.db2.gz ZVWFJLBUQKGCGD-OAHLLOKOSA-N 1 1 367.471 2.074 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000478401563 561165898 /nfs/dbraw/zinc/16/58/98/561165898.db2.gz RBCSEPVZKCLPPJ-MSOLQXFVSA-N 1 1 355.394 2.188 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1C1CC1 ZINC000177095897 546544031 /nfs/dbraw/zinc/54/40/31/546544031.db2.gz KUSLEMWKRRGWPP-OLZOCXBDSA-N 1 1 355.398 2.136 20 5 FEBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000177193955 546567778 /nfs/dbraw/zinc/56/77/78/546567778.db2.gz RHNYSQQBPZQMIU-LBPRGKRZSA-N 1 1 353.806 2.043 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000481365894 561231606 /nfs/dbraw/zinc/23/16/06/561231606.db2.gz ASCRTRBBIMGBJB-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000481365894 561231607 /nfs/dbraw/zinc/23/16/07/561231607.db2.gz ASCRTRBBIMGBJB-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000481449527 561233130 /nfs/dbraw/zinc/23/31/30/561233130.db2.gz XBTOQEBSTDWLKP-INIZCTEOSA-N 1 1 351.403 2.289 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000481608256 561237357 /nfs/dbraw/zinc/23/73/57/561237357.db2.gz DYFDPYWQICMQLC-CYBMUJFWSA-N 1 1 362.430 2.078 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745295 561240604 /nfs/dbraw/zinc/24/06/04/561240604.db2.gz CHFYAHMSRNZIFD-HOCLYGCPSA-N 1 1 352.387 2.016 20 5 FEBDMO COCCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000179361740 546940411 /nfs/dbraw/zinc/94/04/11/546940411.db2.gz HYAGEXRTIAZZSP-MRXNPFEDSA-N 1 1 365.430 2.359 20 5 FEBDMO C[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180410268 547104009 /nfs/dbraw/zinc/10/40/09/547104009.db2.gz RNPAHYMQHKFQDY-KBPBESRZSA-N 1 1 374.441 2.303 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000180689369 547159417 /nfs/dbraw/zinc/15/94/17/547159417.db2.gz RGRYNCVJHTWPEX-UHFFFAOYSA-N 1 1 370.409 2.304 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000182984407 547583588 /nfs/dbraw/zinc/58/35/88/547583588.db2.gz HDPRVYLQRCHLAL-ZDUSSCGKSA-N 1 1 373.450 2.395 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000183487218 547669572 /nfs/dbraw/zinc/66/95/72/547669572.db2.gz JTCYUWIUWJZLEU-LLVKDONJSA-N 1 1 373.862 2.319 20 5 FEBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](CCc2ccccc2)CC1 ZINC000183601777 547687280 /nfs/dbraw/zinc/68/72/80/547687280.db2.gz ONSHHJHHRURXFC-UHFFFAOYSA-N 1 1 355.398 2.382 20 5 FEBDMO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000484637558 561301858 /nfs/dbraw/zinc/30/18/58/561301858.db2.gz VTSUCKGWXLWNAK-KCPJHIHWSA-N 1 1 362.386 2.489 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183896842 547735130 /nfs/dbraw/zinc/73/51/30/547735130.db2.gz HDYQGTCVRHPZAG-KGLIPLIRSA-N 1 1 363.414 2.397 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184118757 547772740 /nfs/dbraw/zinc/77/27/40/547772740.db2.gz ZIUNMDDLFFEGIE-AWEZNQCLSA-N 1 1 363.414 2.051 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184118757 547772743 /nfs/dbraw/zinc/77/27/43/547772743.db2.gz ZIUNMDDLFFEGIE-AWEZNQCLSA-N 1 1 363.414 2.051 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000184246159 547793311 /nfs/dbraw/zinc/79/33/11/547793311.db2.gz PCCWUPVVCKNMOQ-ZDUSSCGKSA-N 1 1 365.405 2.481 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)c([N+](=O)[O-])cc1F ZINC000184246159 547793312 /nfs/dbraw/zinc/79/33/12/547793312.db2.gz PCCWUPVVCKNMOQ-ZDUSSCGKSA-N 1 1 365.405 2.481 20 5 FEBDMO CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000184479944 547833611 /nfs/dbraw/zinc/83/36/11/547833611.db2.gz HGEWGPXJFXRSHE-CYBMUJFWSA-N 1 1 363.414 2.247 20 5 FEBDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000184479944 547833614 /nfs/dbraw/zinc/83/36/14/547833614.db2.gz HGEWGPXJFXRSHE-CYBMUJFWSA-N 1 1 363.414 2.247 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184482963 547834644 /nfs/dbraw/zinc/83/46/44/547834644.db2.gz DDVLJOKMLDPCAW-HNNXBMFYSA-N 1 1 355.460 2.279 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000184733903 547871623 /nfs/dbraw/zinc/87/16/23/547871623.db2.gz RFOZKWAVNNPNNL-GFCCVEGCSA-N 1 1 359.423 2.005 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000184913801 547899161 /nfs/dbraw/zinc/89/91/61/547899161.db2.gz OQMCGUCTGBTBCI-HZMBPMFUSA-N 1 1 359.423 2.003 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185328127 547971200 /nfs/dbraw/zinc/97/12/00/547971200.db2.gz OHDCABWEBJIMIR-QGZVFWFLSA-N 1 1 371.441 2.127 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000186337899 548121428 /nfs/dbraw/zinc/12/14/28/548121428.db2.gz LHGUBLWSLZGDLB-FOCLMDBBSA-N 1 1 374.485 2.483 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000186337899 548121432 /nfs/dbraw/zinc/12/14/32/548121432.db2.gz LHGUBLWSLZGDLB-FOCLMDBBSA-N 1 1 374.485 2.483 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1Cl ZINC000186615572 548160259 /nfs/dbraw/zinc/16/02/59/548160259.db2.gz FQGYKZPHKUDHPY-AWEZNQCLSA-N 1 1 363.805 2.258 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)(CO)CC2)c([N+](=O)[O-])c1 ZINC000186935053 548224140 /nfs/dbraw/zinc/22/41/40/548224140.db2.gz DSPZCXRCNGTIND-LBPRGKRZSA-N 1 1 351.403 2.025 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000193989533 548418264 /nfs/dbraw/zinc/41/82/64/548418264.db2.gz VLGISGWEUJXKPZ-MRXNPFEDSA-N 1 1 370.409 2.432 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000195457944 548643310 /nfs/dbraw/zinc/64/33/10/548643310.db2.gz XRWYMHNUDAEQMU-OKILXGFUSA-N 1 1 366.487 2.287 20 5 FEBDMO COCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237122896 548801915 /nfs/dbraw/zinc/80/19/15/548801915.db2.gz CZYXAFVSCNHTAH-UHFFFAOYSA-N 1 1 373.457 2.196 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000245562695 548946331 /nfs/dbraw/zinc/94/63/31/548946331.db2.gz PBVAHRPQGNPTTP-HZSPNIEDSA-N 1 1 363.418 2.095 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000245562695 548946335 /nfs/dbraw/zinc/94/63/35/548946335.db2.gz PBVAHRPQGNPTTP-HZSPNIEDSA-N 1 1 363.418 2.095 20 5 FEBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000245644497 548964645 /nfs/dbraw/zinc/96/46/45/548964645.db2.gz LFKUIUVBCGSMED-RHSMWYFYSA-N 1 1 361.423 2.319 20 5 FEBDMO CCOc1ccc(NC(=O)CN2CC[N@@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488057186 561382398 /nfs/dbraw/zinc/38/23/98/561382398.db2.gz VWZUXTRTONWVFL-KRWDZBQOSA-N 1 1 364.446 2.204 20 5 FEBDMO Nc1ccc(N2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000488053818 561382433 /nfs/dbraw/zinc/38/24/33/561382433.db2.gz UMYDGLRBEWYFFU-UHFFFAOYSA-N 1 1 350.382 2.447 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000246028507 549039091 /nfs/dbraw/zinc/03/90/91/549039091.db2.gz AAKBMMJSKXQFMR-KGLIPLIRSA-N 1 1 353.444 2.151 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000246102697 549052101 /nfs/dbraw/zinc/05/21/01/549052101.db2.gz LSSXDMDXXVFDCZ-TZMCWYRMSA-N 1 1 371.434 2.147 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000246215670 549080554 /nfs/dbraw/zinc/08/05/54/549080554.db2.gz POTRJMKWTZFGRQ-OLZOCXBDSA-N 1 1 373.862 2.496 20 5 FEBDMO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000246291381 549098019 /nfs/dbraw/zinc/09/80/19/549098019.db2.gz OVSSXBLCFOSDPE-ROUUACIJSA-N 1 1 355.394 2.366 20 5 FEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000246291381 549098021 /nfs/dbraw/zinc/09/80/21/549098021.db2.gz OVSSXBLCFOSDPE-ROUUACIJSA-N 1 1 355.394 2.366 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246691596 549189738 /nfs/dbraw/zinc/18/97/38/549189738.db2.gz DCFCOTVZLVMVEN-XJKSGUPXSA-N 1 1 364.446 2.044 20 5 FEBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488805529 561397340 /nfs/dbraw/zinc/39/73/40/561397340.db2.gz XTPLLVJRHHCTFG-MAUKXSAKSA-N 1 1 360.414 2.170 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000246782781 549211256 /nfs/dbraw/zinc/21/12/56/549211256.db2.gz BFWXHMQXSJPWCF-PWSUYJOCSA-N 1 1 373.862 2.414 20 5 FEBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000246881038 549234529 /nfs/dbraw/zinc/23/45/29/549234529.db2.gz WOJZADUSWAXTLB-KGLIPLIRSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000246881038 549234531 /nfs/dbraw/zinc/23/45/31/549234531.db2.gz WOJZADUSWAXTLB-KGLIPLIRSA-N 1 1 363.458 2.419 20 5 FEBDMO COc1ccccc1NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489010685 561401561 /nfs/dbraw/zinc/40/15/61/561401561.db2.gz JVGLKRWXVKXNET-UHFFFAOYSA-N 1 1 359.386 2.076 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000248748758 549496030 /nfs/dbraw/zinc/49/60/30/549496030.db2.gz SLGXNKIHMPEAQW-XLIONFOSSA-N 1 1 370.405 2.466 20 5 FEBDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249144321 549560047 /nfs/dbraw/zinc/56/00/47/549560047.db2.gz XAFVXYIZXUSSHW-ZIAGYGMSSA-N 1 1 364.446 2.142 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000253554166 549695504 /nfs/dbraw/zinc/69/55/04/549695504.db2.gz LOZJPRUKKXGXKT-SJCJKPOMSA-N 1 1 370.409 2.405 20 5 FEBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000263717290 549925219 /nfs/dbraw/zinc/92/52/19/549925219.db2.gz NXIZICXUHOKMID-GOSISDBHSA-N 1 1 371.441 2.498 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269653617 550214396 /nfs/dbraw/zinc/21/43/96/550214396.db2.gz MXETYGYEGOOVRF-ZIAGYGMSSA-N 1 1 367.413 2.304 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269653617 550214397 /nfs/dbraw/zinc/21/43/97/550214397.db2.gz MXETYGYEGOOVRF-ZIAGYGMSSA-N 1 1 367.413 2.304 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000270658172 550293820 /nfs/dbraw/zinc/29/38/20/550293820.db2.gz NFAGLNJABQAYSE-HNNXBMFYSA-N 1 1 361.398 2.308 20 5 FEBDMO CC(C)N1CC[NH+](C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000270826237 550311182 /nfs/dbraw/zinc/31/11/82/550311182.db2.gz BZXJFKNDNVWGND-UHFFFAOYSA-N 1 1 366.487 2.287 20 5 FEBDMO CN(C)CC[NH+]1CCC(Nc2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000270998553 550330187 /nfs/dbraw/zinc/33/01/87/550330187.db2.gz VQCMSKCYMMUKNS-UHFFFAOYSA-N 1 1 372.267 2.190 20 5 FEBDMO COCCCOCC[N@@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000271500198 550380246 /nfs/dbraw/zinc/38/02/46/550380246.db2.gz DAYXYNNGGOPDEL-UHFFFAOYSA-N 1 1 353.419 2.217 20 5 FEBDMO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000494396074 561468781 /nfs/dbraw/zinc/46/87/81/561468781.db2.gz WFEBDVNQXILRGW-UHFFFAOYSA-N 1 1 369.365 2.147 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000494396074 561468782 /nfs/dbraw/zinc/46/87/82/561468782.db2.gz WFEBDVNQXILRGW-UHFFFAOYSA-N 1 1 369.365 2.147 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272698257 550465727 /nfs/dbraw/zinc/46/57/27/550465727.db2.gz YEYNZGRDEPRWBH-KSSFIOAISA-N 1 1 358.442 2.361 20 5 FEBDMO CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497350 550792401 /nfs/dbraw/zinc/79/24/01/550792401.db2.gz WIKNCQLJLBLGNO-AWEZNQCLSA-N 1 1 357.414 2.227 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497350 550792403 /nfs/dbraw/zinc/79/24/03/550792403.db2.gz WIKNCQLJLBLGNO-AWEZNQCLSA-N 1 1 357.414 2.227 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000278497350 550792404 /nfs/dbraw/zinc/79/24/04/550792404.db2.gz WIKNCQLJLBLGNO-AWEZNQCLSA-N 1 1 357.414 2.227 20 5 FEBDMO Cc1sc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278865993 550830414 /nfs/dbraw/zinc/83/04/14/550830414.db2.gz NSLCLRMTLJHIEM-NSHDSACASA-N 1 1 353.444 2.290 20 5 FEBDMO Cc1sc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000278865993 550830416 /nfs/dbraw/zinc/83/04/16/550830416.db2.gz NSLCLRMTLJHIEM-NSHDSACASA-N 1 1 353.444 2.290 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000279107598 550854798 /nfs/dbraw/zinc/85/47/98/550854798.db2.gz BMLPXJHCNWBXRF-SWLSCSKDSA-N 1 1 364.421 2.356 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@](C)(OC)C1 ZINC000279236776 550868110 /nfs/dbraw/zinc/86/81/10/550868110.db2.gz FKVJHQLOIGQWRG-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@@H](CN1CCOCC1)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279664802 550914261 /nfs/dbraw/zinc/91/42/61/550914261.db2.gz DGBMRAHWCUMUBF-HNNXBMFYSA-N 1 1 374.441 2.445 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000281162513 551069577 /nfs/dbraw/zinc/06/95/77/551069577.db2.gz PVVAQBATKVNGRD-MGPLVRAMSA-N 1 1 368.821 2.033 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000281162513 551069578 /nfs/dbraw/zinc/06/95/78/551069578.db2.gz PVVAQBATKVNGRD-MGPLVRAMSA-N 1 1 368.821 2.033 20 5 FEBDMO Cc1[nH+]ccn1CCCCNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497531972 561503369 /nfs/dbraw/zinc/50/33/69/561503369.db2.gz FBUJXCGKSINKOG-UHFFFAOYSA-N 1 1 352.416 2.396 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283413224 551362105 /nfs/dbraw/zinc/36/21/05/551362105.db2.gz FJVZEWJOODMZLI-TZMCWYRMSA-N 1 1 353.394 2.097 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000498703606 561532183 /nfs/dbraw/zinc/53/21/83/561532183.db2.gz CCFOYCPJHWMGOQ-JTQLQIEISA-N 1 1 373.356 2.371 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285238748 551724681 /nfs/dbraw/zinc/72/46/81/551724681.db2.gz BMYVSBCQXLNFCU-HIFRSBDPSA-N 1 1 355.460 2.320 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285238748 551724682 /nfs/dbraw/zinc/72/46/82/551724682.db2.gz BMYVSBCQXLNFCU-HIFRSBDPSA-N 1 1 355.460 2.320 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H](C)[S@@]1=O ZINC000285428171 551755150 /nfs/dbraw/zinc/75/51/50/551755150.db2.gz CFXZHDKUIJBLEP-USCZKRCMSA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H](C)[S@@]1=O ZINC000285428171 551755153 /nfs/dbraw/zinc/75/51/53/551755153.db2.gz CFXZHDKUIJBLEP-USCZKRCMSA-N 1 1 367.471 2.463 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000285473557 551762001 /nfs/dbraw/zinc/76/20/01/551762001.db2.gz OAPGDXBDGZJVCF-HCXYKTFWSA-N 1 1 356.426 2.420 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498922233 561537987 /nfs/dbraw/zinc/53/79/87/561537987.db2.gz BFMNSIFFGZZSSZ-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498922233 561537988 /nfs/dbraw/zinc/53/79/88/561537988.db2.gz BFMNSIFFGZZSSZ-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000498922233 561537989 /nfs/dbraw/zinc/53/79/89/561537989.db2.gz BFMNSIFFGZZSSZ-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000498988587 561540367 /nfs/dbraw/zinc/54/03/67/561540367.db2.gz BFSAPRWYPLPNFN-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000285910180 551826068 /nfs/dbraw/zinc/82/60/68/551826068.db2.gz YZTFSBXIBMIRRJ-CQSZACIVSA-N 1 1 373.413 2.150 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(N3CCOCC3)[nH+]c2C)n1 ZINC000286298277 551871173 /nfs/dbraw/zinc/87/11/73/551871173.db2.gz SIRKKGPOCYETPE-UHFFFAOYSA-N 1 1 373.369 2.060 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000286545813 551898385 /nfs/dbraw/zinc/89/83/85/551898385.db2.gz ZRTZTQQOCHZARY-AGUYFDCRSA-N 1 1 362.430 2.099 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287511192 552013772 /nfs/dbraw/zinc/01/37/72/552013772.db2.gz UMXXMXNGPPXOGN-HUUCEWRRSA-N 1 1 374.441 2.175 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287511192 552013773 /nfs/dbraw/zinc/01/37/73/552013773.db2.gz UMXXMXNGPPXOGN-HUUCEWRRSA-N 1 1 374.441 2.175 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000499656978 561555533 /nfs/dbraw/zinc/55/55/33/561555533.db2.gz IXWCWIRBYKOYFZ-OAHLLOKOSA-N 1 1 351.451 2.179 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000288670125 552195416 /nfs/dbraw/zinc/19/54/16/552195416.db2.gz HMEPSEZZKAGAML-UHFFFAOYSA-N 1 1 368.453 2.011 20 5 FEBDMO CN(CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000288670125 552195417 /nfs/dbraw/zinc/19/54/17/552195417.db2.gz HMEPSEZZKAGAML-UHFFFAOYSA-N 1 1 368.453 2.011 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000288871810 552228301 /nfs/dbraw/zinc/22/83/01/552228301.db2.gz QWZYBCSQXZIJQZ-LBPRGKRZSA-N 1 1 350.419 2.078 20 5 FEBDMO C[C@@H](CO)[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289307810 552299010 /nfs/dbraw/zinc/29/90/10/552299010.db2.gz AVUPDMHPZZUILD-QMMMGPOBSA-N 1 1 350.156 2.012 20 5 FEBDMO C[C@@H](O)CC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289530936 552335919 /nfs/dbraw/zinc/33/59/19/552335919.db2.gz BUNQSVDHQVVJSF-SECBINFHSA-N 1 1 364.183 2.402 20 5 FEBDMO Cc1ccc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000289658021 552357096 /nfs/dbraw/zinc/35/70/96/552357096.db2.gz YLBSWIKDSMMXEC-OAHLLOKOSA-N 1 1 355.460 2.007 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000290014643 552414135 /nfs/dbraw/zinc/41/41/35/552414135.db2.gz JJZBASGYDQPKAW-LLVKDONJSA-N 1 1 368.409 2.217 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514317 552491045 /nfs/dbraw/zinc/49/10/45/552491045.db2.gz AYFOABAXOGXAHA-WFASDCNBSA-N 1 1 355.398 2.021 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290785743 552537632 /nfs/dbraw/zinc/53/76/32/552537632.db2.gz CRGRMSOQUXNJRK-LBPRGKRZSA-N 1 1 353.419 2.462 20 5 FEBDMO C[C@@H]1[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291191514 552597968 /nfs/dbraw/zinc/59/79/68/552597968.db2.gz STVRBJSFVYINJQ-IUODEOHRSA-N 1 1 355.398 2.164 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292060340 552689396 /nfs/dbraw/zinc/68/93/96/552689396.db2.gz OPJGGSYYVGGMDZ-CQSZACIVSA-N 1 1 367.471 2.231 20 5 FEBDMO CC(C)(NC(=O)NCC[NH+]1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000292161866 552699689 /nfs/dbraw/zinc/69/96/89/552699689.db2.gz DBNUVHLLBOGBIH-UHFFFAOYSA-N 1 1 352.460 2.178 20 5 FEBDMO CN(C(=O)C[N@H+](C)C[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000293365363 552815930 /nfs/dbraw/zinc/81/59/30/552815930.db2.gz OPLICWYCPIOKDX-GOSISDBHSA-N 1 1 357.410 2.093 20 5 FEBDMO CN(C(=O)C[N@@H+](C)C[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000293365363 552815931 /nfs/dbraw/zinc/81/59/31/552815931.db2.gz OPLICWYCPIOKDX-GOSISDBHSA-N 1 1 357.410 2.093 20 5 FEBDMO Cc1c(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)cccc1[N+](=O)[O-] ZINC000294138409 552884949 /nfs/dbraw/zinc/88/49/49/552884949.db2.gz GJVCLFDFIFFOKD-UHFFFAOYSA-N 1 1 351.451 2.250 20 5 FEBDMO Cc1c(NC(=O)N(C)CCCN(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000294138409 552884950 /nfs/dbraw/zinc/88/49/50/552884950.db2.gz GJVCLFDFIFFOKD-UHFFFAOYSA-N 1 1 351.451 2.250 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501778868 561605388 /nfs/dbraw/zinc/60/53/88/561605388.db2.gz WPEISYRFHCLSHM-SJORKVTESA-N 1 1 370.453 2.351 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000294871567 552940491 /nfs/dbraw/zinc/94/04/91/552940491.db2.gz DWAFLANJBNJHAY-HNNXBMFYSA-N 1 1 367.471 2.453 20 5 FEBDMO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000295165967 552965259 /nfs/dbraw/zinc/96/52/59/552965259.db2.gz SWPMQPHEVVOBMO-INIZCTEOSA-N 1 1 373.413 2.268 20 5 FEBDMO COc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295272961 552979611 /nfs/dbraw/zinc/97/96/11/552979611.db2.gz GYNJDLHJYWQKCH-LLVKDONJSA-N 1 1 351.378 2.299 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H](O)c1ccccc1Br ZINC000295364711 552994897 /nfs/dbraw/zinc/99/48/97/552994897.db2.gz PFFAJIKXUKNTJO-CQSZACIVSA-N 1 1 369.219 2.219 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000295604792 553032246 /nfs/dbraw/zinc/03/22/46/553032246.db2.gz NIOBMLYCIUZIIR-LSDHHAIUSA-N 1 1 353.806 2.183 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000295862966 553069182 /nfs/dbraw/zinc/06/91/82/553069182.db2.gz DYUOKLHZHSGEML-YJBOKZPZSA-N 1 1 362.426 2.226 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296762329 553208561 /nfs/dbraw/zinc/20/85/61/553208561.db2.gz PHOPCTHKXBYVMG-CQSZACIVSA-N 1 1 364.402 2.004 20 5 FEBDMO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296849640 553220066 /nfs/dbraw/zinc/22/00/66/553220066.db2.gz FPMUCGXPYCNNQM-KRWDZBQOSA-N 1 1 373.457 2.045 20 5 FEBDMO CCN1CC[NH+]([C@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000297288887 553274042 /nfs/dbraw/zinc/27/40/42/553274042.db2.gz XWFCWMXZZKNECZ-KRWDZBQOSA-N 1 1 355.442 2.359 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000297837478 553345229 /nfs/dbraw/zinc/34/52/29/553345229.db2.gz KHQCBXRTXXAKFB-CQSZACIVSA-N 1 1 362.430 2.141 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000298293236 553408907 /nfs/dbraw/zinc/40/89/07/553408907.db2.gz XRGJEESBFARMHI-UHFFFAOYSA-N 1 1 362.430 2.093 20 5 FEBDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000299119481 553517978 /nfs/dbraw/zinc/51/79/78/553517978.db2.gz TZAPLQYEDQGTLI-CQSZACIVSA-N 1 1 350.419 2.135 20 5 FEBDMO Cc1c(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299556722 553580856 /nfs/dbraw/zinc/58/08/56/553580856.db2.gz XEDSENBKKPJAHP-KGLIPLIRSA-N 1 1 362.386 2.476 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1F ZINC000301117406 553623279 /nfs/dbraw/zinc/62/32/79/553623279.db2.gz MNTPCPCVLXOATK-UHFFFAOYSA-N 1 1 370.344 2.334 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)C1 ZINC000301274869 553638003 /nfs/dbraw/zinc/63/80/03/553638003.db2.gz IPEPHTQDCUGPCK-HNNXBMFYSA-N 1 1 355.442 2.359 20 5 FEBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301283632 553639105 /nfs/dbraw/zinc/63/91/05/553639105.db2.gz NNPMWHKZCYEKEP-HIFRSBDPSA-N 1 1 369.425 2.232 20 5 FEBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000301617531 553666138 /nfs/dbraw/zinc/66/61/38/553666138.db2.gz KMVAKUYMXUDAIE-TZMCWYRMSA-N 1 1 355.398 2.164 20 5 FEBDMO CC[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301669711 553670463 /nfs/dbraw/zinc/67/04/63/553670463.db2.gz PXJTYPDCVISKJG-GOEBONIOSA-N 1 1 372.429 2.059 20 5 FEBDMO CC[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301669711 553670465 /nfs/dbraw/zinc/67/04/65/553670465.db2.gz PXJTYPDCVISKJG-GOEBONIOSA-N 1 1 372.429 2.059 20 5 FEBDMO CNC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000301771341 553677940 /nfs/dbraw/zinc/67/79/40/553677940.db2.gz JGXCKDQVMWQLDN-HOCLYGCPSA-N 1 1 358.442 2.408 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000302428158 553716981 /nfs/dbraw/zinc/71/69/81/553716981.db2.gz KKZVUCPHQVNHMV-GHMZBOCLSA-N 1 1 358.236 2.249 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313343731 553757282 /nfs/dbraw/zinc/75/72/82/553757282.db2.gz HVTWUMGSTBGOHD-MRXNPFEDSA-N 1 1 361.423 2.238 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313362766 553757775 /nfs/dbraw/zinc/75/77/75/553757775.db2.gz YIQDUODPULAUPZ-INIZCTEOSA-N 1 1 361.423 2.238 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331423059 554262341 /nfs/dbraw/zinc/26/23/41/554262341.db2.gz XFAMLKZJRKAHEC-OAHLLOKOSA-N 1 1 374.441 2.176 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331423059 554262342 /nfs/dbraw/zinc/26/23/42/554262342.db2.gz XFAMLKZJRKAHEC-OAHLLOKOSA-N 1 1 374.441 2.176 20 5 FEBDMO O=C(CC[N@H+]1CCS[C@H]2COCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000331621645 554296811 /nfs/dbraw/zinc/29/68/11/554296811.db2.gz FHZPJDMULLQVSM-GJZGRUSLSA-N 1 1 351.428 2.130 20 5 FEBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)C[N@H+]1C ZINC000509663867 561809724 /nfs/dbraw/zinc/80/97/24/561809724.db2.gz FHEMXHSQNLHFFD-OLZOCXBDSA-N 1 1 358.398 2.073 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000332479799 554453667 /nfs/dbraw/zinc/45/36/67/554453667.db2.gz YCUIQEBHEICDSF-UHFFFAOYSA-N 1 1 364.427 2.434 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)OCO2 ZINC000511104919 561857134 /nfs/dbraw/zinc/85/71/34/561857134.db2.gz HKVUUNNNMQBYGT-UHFFFAOYSA-N 1 1 357.366 2.437 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)OCO2 ZINC000511104919 561857135 /nfs/dbraw/zinc/85/71/35/561857135.db2.gz HKVUUNNNMQBYGT-UHFFFAOYSA-N 1 1 357.366 2.437 20 5 FEBDMO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)n1C ZINC000350914069 554821957 /nfs/dbraw/zinc/82/19/57/554821957.db2.gz AVBPAAXHOXRBOL-LBPRGKRZSA-N 1 1 362.390 2.003 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361831570 554937272 /nfs/dbraw/zinc/93/72/72/554937272.db2.gz VAXSTZVEDMQZBR-XJKSGUPXSA-N 1 1 369.425 2.411 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)cc2N1 ZINC000362926334 554999653 /nfs/dbraw/zinc/99/96/53/554999653.db2.gz QAYCKFUYZSPKDN-LZWOXQAQSA-N 1 1 356.426 2.400 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000362957282 555002967 /nfs/dbraw/zinc/00/29/67/555002967.db2.gz DSTQXPFLCCJCPG-GOSISDBHSA-N 1 1 362.474 2.205 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000363111976 555033362 /nfs/dbraw/zinc/03/33/62/555033362.db2.gz UAVFBRDOBJJMFH-UHFFFAOYSA-N 1 1 355.822 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000363347524 555082953 /nfs/dbraw/zinc/08/29/53/555082953.db2.gz ISXFGHCWRPPBMA-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000363347524 555082955 /nfs/dbraw/zinc/08/29/55/555082955.db2.gz ISXFGHCWRPPBMA-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)C1 ZINC000363405061 555097435 /nfs/dbraw/zinc/09/74/35/555097435.db2.gz CFDJAQYUFKPMGL-DKSSEZFCSA-N 1 1 372.469 2.194 20 5 FEBDMO Cc1cnn(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000363638515 555152316 /nfs/dbraw/zinc/15/23/16/555152316.db2.gz ITVGMKUJHHDHPV-UHFFFAOYSA-N 1 1 357.414 2.400 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364066852 555243894 /nfs/dbraw/zinc/24/38/94/555243894.db2.gz FATDGRUDYFOGSA-UHFFFAOYSA-N 1 1 363.458 2.439 20 5 FEBDMO O=C1NCCCC[C@H]1[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000364437152 555314176 /nfs/dbraw/zinc/31/41/76/555314176.db2.gz HNZQITDOZZPVDT-OAHLLOKOSA-N 1 1 366.849 2.035 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000364695123 555376849 /nfs/dbraw/zinc/37/68/49/555376849.db2.gz LWRXFYMEKOKXPN-OAHLLOKOSA-N 1 1 353.382 2.053 20 5 FEBDMO COC(=O)[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1(C)C ZINC000364764728 555396724 /nfs/dbraw/zinc/39/67/24/555396724.db2.gz PZLNFENCWPDTPE-CYBMUJFWSA-N 1 1 360.370 2.276 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1(C)C ZINC000364764728 555396728 /nfs/dbraw/zinc/39/67/28/555396728.db2.gz PZLNFENCWPDTPE-CYBMUJFWSA-N 1 1 360.370 2.276 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000365189792 555505948 /nfs/dbraw/zinc/50/59/48/555505948.db2.gz DQJXXWPXYJXIIJ-DOMZBBRYSA-N 1 1 363.805 2.043 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000365393741 555562934 /nfs/dbraw/zinc/56/29/34/555562934.db2.gz KBEWKAOSGWPHTC-FSPWUOQZSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000365393741 555562936 /nfs/dbraw/zinc/56/29/36/555562936.db2.gz KBEWKAOSGWPHTC-FSPWUOQZSA-N 1 1 374.441 2.397 20 5 FEBDMO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000513183263 561928393 /nfs/dbraw/zinc/92/83/93/561928393.db2.gz JINWLTHXTKSFNV-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000513183263 561928395 /nfs/dbraw/zinc/92/83/95/561928395.db2.gz JINWLTHXTKSFNV-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000513478006 561939827 /nfs/dbraw/zinc/93/98/27/561939827.db2.gz ANRVSUBKIVAOQN-JTDSTZFVSA-N 1 1 365.474 2.275 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000365907209 555697729 /nfs/dbraw/zinc/69/77/29/555697729.db2.gz RXGLCFYKUVZABG-NSHDSACASA-N 1 1 372.360 2.302 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000513696671 561946972 /nfs/dbraw/zinc/94/69/72/561946972.db2.gz BZICIUPEBKCWSP-SJORKVTESA-N 1 1 360.414 2.203 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)[nH+]1 ZINC000366195388 555777681 /nfs/dbraw/zinc/77/76/81/555777681.db2.gz VLIUJYMHSFSECC-UHFFFAOYSA-N 1 1 373.388 2.418 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000366608852 555889604 /nfs/dbraw/zinc/88/96/04/555889604.db2.gz NNOPPRVSNZWNFS-QGZVFWFLSA-N 1 1 360.414 2.283 20 5 FEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN1c1cccnn1 ZINC000366661374 555902040 /nfs/dbraw/zinc/90/20/40/555902040.db2.gz YXUMKKQAEPFUOF-DLBZAZTESA-N 1 1 357.414 2.019 20 5 FEBDMO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000514963404 561989153 /nfs/dbraw/zinc/98/91/53/561989153.db2.gz OLDHSSNAATXVAV-SFHVURJKSA-N 1 1 355.398 2.056 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368692217 556386881 /nfs/dbraw/zinc/38/68/81/556386881.db2.gz MFQRWYVJYHXCDA-IRXDYDNUSA-N 1 1 355.442 2.282 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC3(CCOCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000368814394 556420640 /nfs/dbraw/zinc/42/06/40/556420640.db2.gz RQTWBSRBHBHJIX-ZDUSSCGKSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000515736631 562020690 /nfs/dbraw/zinc/02/06/90/562020690.db2.gz NCIKSWNPHJFTQV-TZMCWYRMSA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@H](CO)[N@H+]1CCCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000368966048 556461403 /nfs/dbraw/zinc/46/14/03/556461403.db2.gz NFRZPEJKQDUBNI-CQSZACIVSA-N 1 1 360.414 2.138 20 5 FEBDMO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019545 556477821 /nfs/dbraw/zinc/47/78/21/556477821.db2.gz QHLSCBSGLNKPFX-HOCLYGCPSA-N 1 1 357.414 2.133 20 5 FEBDMO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019545 556477824 /nfs/dbraw/zinc/47/78/24/556477824.db2.gz QHLSCBSGLNKPFX-HOCLYGCPSA-N 1 1 357.414 2.133 20 5 FEBDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229930 556542619 /nfs/dbraw/zinc/54/26/19/556542619.db2.gz UJCRFVJGPITGHD-WMZOPIPTSA-N 1 1 360.414 2.295 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000369374245 556584241 /nfs/dbraw/zinc/58/42/41/556584241.db2.gz IIBCEHMCFMIEHX-RDTXWAMCSA-N 1 1 363.414 2.112 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000369586515 556639450 /nfs/dbraw/zinc/63/94/50/556639450.db2.gz YEOVLKKMGHAJIU-QMCVQRASSA-N 1 1 350.415 2.080 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369815706 556702914 /nfs/dbraw/zinc/70/29/14/556702914.db2.gz FJDJVCGMMKEQQM-AWEZNQCLSA-N 1 1 374.441 2.256 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000369998011 556753166 /nfs/dbraw/zinc/75/31/66/556753166.db2.gz QINOSOBEODCIMF-OAHLLOKOSA-N 1 1 371.441 2.223 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370545263 556904639 /nfs/dbraw/zinc/90/46/39/556904639.db2.gz CVLLOSASCCNMFB-HNNXBMFYSA-N 1 1 363.462 2.294 20 5 FEBDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000370817510 556977149 /nfs/dbraw/zinc/97/71/49/556977149.db2.gz CNOOVQJRTHCYBE-QGZVFWFLSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1cc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000370817510 556977151 /nfs/dbraw/zinc/97/71/51/556977151.db2.gz CNOOVQJRTHCYBE-QGZVFWFLSA-N 1 1 360.458 2.144 20 5 FEBDMO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000370904075 557009646 /nfs/dbraw/zinc/00/96/46/557009646.db2.gz HITNXGTWHUTWOT-CXAGYDPISA-N 1 1 357.414 2.141 20 5 FEBDMO Cn1cc([C@H]2[C@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC[N@H+]2C)cn1 ZINC000370930375 557020529 /nfs/dbraw/zinc/02/05/29/557020529.db2.gz ZZEGLYNTAKSRLJ-HNAYVOBHSA-N 1 1 371.441 2.070 20 5 FEBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000371130554 557083864 /nfs/dbraw/zinc/08/38/64/557083864.db2.gz QHLNVASPCAZZBD-HNNXBMFYSA-N 1 1 358.398 2.424 20 5 FEBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000371866627 557314540 /nfs/dbraw/zinc/31/45/40/557314540.db2.gz NULQMZAFQKSXNO-AWEZNQCLSA-N 1 1 357.414 2.382 20 5 FEBDMO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000372086336 557376383 /nfs/dbraw/zinc/37/63/83/557376383.db2.gz UPWJXHULZOWTLD-ZACQAIPSSA-N 1 1 369.425 2.242 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000518889077 562120433 /nfs/dbraw/zinc/12/04/33/562120433.db2.gz XQRRQDUOYUVLQZ-LBPRGKRZSA-N 1 1 358.398 2.309 20 5 FEBDMO CN1C[C@@H]2C[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCN2C1=O ZINC000373227528 557653547 /nfs/dbraw/zinc/65/35/47/557653547.db2.gz GBLFUTCRFJOKLP-MRXNPFEDSA-N 1 1 363.417 2.498 20 5 FEBDMO CN1C[C@@H]2C[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCN2C1=O ZINC000373227528 557653550 /nfs/dbraw/zinc/65/35/50/557653550.db2.gz GBLFUTCRFJOKLP-MRXNPFEDSA-N 1 1 363.417 2.498 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC000373510908 557708270 /nfs/dbraw/zinc/70/82/70/557708270.db2.gz XNAWMRCVHNNOMK-UHFFFAOYSA-N 1 1 365.340 2.005 20 5 FEBDMO O=C1[C@@H]([NH+]2CCC(c3c[nH]cn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374206933 557843375 /nfs/dbraw/zinc/84/33/75/557843375.db2.gz GSUFFIMZIPWSCD-KRWDZBQOSA-N 1 1 355.398 2.303 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000374368423 557873023 /nfs/dbraw/zinc/87/30/23/557873023.db2.gz TUQFRPOQHPGVDB-DOTOQJQBSA-N 1 1 350.415 2.083 20 5 FEBDMO C[C@@H]([C@H]1CN(Cc2ccccc2)CCO1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000374896624 557947527 /nfs/dbraw/zinc/94/75/27/557947527.db2.gz OZZSAFNZFGIRCQ-FUHWJXTLSA-N 1 1 373.457 2.013 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000374917088 557950963 /nfs/dbraw/zinc/95/09/63/557950963.db2.gz XWYWZBUTPQETGE-ZWNOBZJWSA-N 1 1 355.341 2.362 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c1C ZINC000375104887 557978482 /nfs/dbraw/zinc/97/84/82/557978482.db2.gz JCCCYOGYHZPATL-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375277890 558003026 /nfs/dbraw/zinc/00/30/26/558003026.db2.gz KBFFHEUWWPOZKN-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CCn2ccc([N+](=O)[O-])n2)C1 ZINC000375727922 558073647 /nfs/dbraw/zinc/07/36/47/558073647.db2.gz VWCCPRWCEUCWIM-KRWDZBQOSA-N 1 1 365.434 2.267 20 5 FEBDMO CC(C)[NH+]1CCN([C@H]2CCN(CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000375893279 558095137 /nfs/dbraw/zinc/09/51/37/558095137.db2.gz YFSDXWUFDHGEKL-KRWDZBQOSA-N 1 1 362.474 2.074 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000376450652 558175142 /nfs/dbraw/zinc/17/51/42/558175142.db2.gz SUVCDANCQUFUPJ-NEPJUHHUSA-N 1 1 363.443 2.025 20 5 FEBDMO COC(=O)c1cc(C)nc(N2CCC(n3c[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000376473623 558177935 /nfs/dbraw/zinc/17/79/35/558177935.db2.gz LQLGQJLZPWDXAR-UHFFFAOYSA-N 1 1 359.386 2.431 20 5 FEBDMO COc1ccccc1[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000521995813 562188564 /nfs/dbraw/zinc/18/85/64/562188564.db2.gz KLSLXAUWNGHOOP-RDTXWAMCSA-N 1 1 372.381 2.133 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@@H](C(C)C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000522884226 562205393 /nfs/dbraw/zinc/20/53/93/562205393.db2.gz JTIRUEZPXIUGOP-INIZCTEOSA-N 1 1 371.441 2.439 20 5 FEBDMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000378246538 558510856 /nfs/dbraw/zinc/51/08/56/558510856.db2.gz ICTHVZGOWKPJDL-QZTJIDSGSA-N 1 1 359.430 2.391 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000378506815 558572063 /nfs/dbraw/zinc/57/20/63/558572063.db2.gz JNJIRFBLIHBLKG-WFASDCNBSA-N 1 1 353.444 2.120 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000378506815 558572065 /nfs/dbraw/zinc/57/20/65/558572065.db2.gz JNJIRFBLIHBLKG-WFASDCNBSA-N 1 1 353.444 2.120 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000524253239 562225969 /nfs/dbraw/zinc/22/59/69/562225969.db2.gz DPDBNKMZYCWTDR-KRWDZBQOSA-N 1 1 363.458 2.345 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1F ZINC000411144640 558844941 /nfs/dbraw/zinc/84/49/41/558844941.db2.gz AGJHSSQQSGWQSF-CYBMUJFWSA-N 1 1 365.361 2.297 20 5 FEBDMO C[C@H]1CC[N@@H+](CCNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000525292209 562245243 /nfs/dbraw/zinc/24/52/43/562245243.db2.gz YXIAVUBSUJKOHP-LBPRGKRZSA-N 1 1 355.822 2.475 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000525324531 562246108 /nfs/dbraw/zinc/24/61/08/562246108.db2.gz PKVLPQKFVHZVPZ-AWEZNQCLSA-N 1 1 361.446 2.241 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000411419321 558891674 /nfs/dbraw/zinc/89/16/74/558891674.db2.gz KGTBGOVRKVXVJK-UKRRQHHQSA-N 1 1 362.430 2.030 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000411428583 558893635 /nfs/dbraw/zinc/89/36/35/558893635.db2.gz QAGJFUNJJAGMLD-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000411428583 558893636 /nfs/dbraw/zinc/89/36/36/558893636.db2.gz QAGJFUNJJAGMLD-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000411428583 558893638 /nfs/dbraw/zinc/89/36/38/558893638.db2.gz QAGJFUNJJAGMLD-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525687603 562252249 /nfs/dbraw/zinc/25/22/49/562252249.db2.gz BXCHEBQVQFYJHV-ZDUSSCGKSA-N 1 1 370.475 2.169 20 5 FEBDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000411578099 558921453 /nfs/dbraw/zinc/92/14/53/558921453.db2.gz BCSLFVDMEXJGHT-AWEZNQCLSA-N 1 1 362.430 2.093 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000411601386 558927175 /nfs/dbraw/zinc/92/71/75/558927175.db2.gz GXPKSVGCNATPOL-UHFFFAOYSA-N 1 1 362.430 2.141 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1C ZINC000411659161 558937855 /nfs/dbraw/zinc/93/78/55/558937855.db2.gz YDQXWQVSHCUYLC-CJNGLKHVSA-N 1 1 351.403 2.049 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411833177 558972479 /nfs/dbraw/zinc/97/24/79/558972479.db2.gz HKQFTNIASIYSBO-CYBMUJFWSA-N 1 1 353.444 2.156 20 5 FEBDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000411971539 558997693 /nfs/dbraw/zinc/99/76/93/558997693.db2.gz UAYVZUOEEDEXQC-LJQANCHMSA-N 1 1 355.394 2.103 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)cccc1[N+](=O)[O-] ZINC000412086726 559011708 /nfs/dbraw/zinc/01/17/08/559011708.db2.gz RIDXRKCJXQLVFR-AWEZNQCLSA-N 1 1 362.430 2.221 20 5 FEBDMO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC(=O)N1 ZINC000412089629 559012243 /nfs/dbraw/zinc/01/22/43/559012243.db2.gz TUZHSCJQYQNBKC-NSHDSACASA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCC(=O)N1 ZINC000412089629 559012244 /nfs/dbraw/zinc/01/22/44/559012244.db2.gz TUZHSCJQYQNBKC-NSHDSACASA-N 1 1 368.821 2.176 20 5 FEBDMO Cc1cc(NC(C)(C)C[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000413538868 559115040 /nfs/dbraw/zinc/11/50/40/559115040.db2.gz HYNNYMXAXFUXJU-UHFFFAOYSA-N 1 1 371.441 2.305 20 5 FEBDMO C[C@@H](C(=O)NC1CCN(c2[nH+]ccn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000527260901 562282878 /nfs/dbraw/zinc/28/28/78/562282878.db2.gz AHTMWGKJTLTIJA-CYBMUJFWSA-N 1 1 357.414 2.217 20 5 FEBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416476751 559316149 /nfs/dbraw/zinc/31/61/49/559316149.db2.gz ZBMOJNZCGAUQIF-UHFFFAOYSA-N 1 1 369.365 2.232 20 5 FEBDMO O=C1[C@H](N2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420333020 559481285 /nfs/dbraw/zinc/48/12/85/559481285.db2.gz HDIXXVNFBKXREM-ZWKOTPCHSA-N 1 1 358.442 2.164 20 5 FEBDMO COc1ccc2c(c1)OC(C)(C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000421042064 559521626 /nfs/dbraw/zinc/52/16/26/559521626.db2.gz PGBFEOUGZYLBIR-UHFFFAOYSA-N 1 1 373.409 2.438 20 5 FEBDMO COc1ccc2c(c1)OC(C)(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000421042064 559521627 /nfs/dbraw/zinc/52/16/27/559521627.db2.gz PGBFEOUGZYLBIR-UHFFFAOYSA-N 1 1 373.409 2.438 20 5 FEBDMO O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421220077 559531663 /nfs/dbraw/zinc/53/16/63/559531663.db2.gz VYVQZVNVJWTHQD-UHFFFAOYSA-N 1 1 363.801 2.290 20 5 FEBDMO CSC1(C[N@@H+](C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000421395070 559541137 /nfs/dbraw/zinc/54/11/37/559541137.db2.gz YANPCHRGGYZRBL-UHFFFAOYSA-N 1 1 373.500 2.091 20 5 FEBDMO C[C@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438117 559702260 /nfs/dbraw/zinc/70/22/60/559702260.db2.gz AAYCICMAHQSIDM-MFKMUULPSA-N 1 1 359.220 2.329 20 5 FEBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438117 559702261 /nfs/dbraw/zinc/70/22/61/559702261.db2.gz AAYCICMAHQSIDM-MFKMUULPSA-N 1 1 359.220 2.329 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(C[NH+]4CCOCC4)cc3)nc2c1 ZINC000427990658 559767127 /nfs/dbraw/zinc/76/71/27/559767127.db2.gz IWVKYZNGCKURLW-UHFFFAOYSA-N 1 1 367.409 2.337 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000428321443 559773338 /nfs/dbraw/zinc/77/33/38/559773338.db2.gz ARFHUIUOARHQOP-GOSISDBHSA-N 1 1 357.414 2.411 20 5 FEBDMO COc1cc(C[N@H+](C)CCCNC(=O)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000432815023 559865455 /nfs/dbraw/zinc/86/54/55/559865455.db2.gz ZNWZRELIQCIYOJ-UHFFFAOYSA-N 1 1 365.430 2.350 20 5 FEBDMO COc1cc(C[N@@H+](C)CCCNC(=O)C2CCC2)c([N+](=O)[O-])cc1OC ZINC000432815023 559865456 /nfs/dbraw/zinc/86/54/56/559865456.db2.gz ZNWZRELIQCIYOJ-UHFFFAOYSA-N 1 1 365.430 2.350 20 5 FEBDMO CC(C)c1[nH]nc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000434020616 559892525 /nfs/dbraw/zinc/89/25/25/559892525.db2.gz HITZNILCIQARNO-UHFFFAOYSA-N 1 1 367.450 2.014 20 5 FEBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000439684963 559998811 /nfs/dbraw/zinc/99/88/11/559998811.db2.gz MXTNYLTUSOLELH-OAHLLOKOSA-N 1 1 356.430 2.315 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440520176 560013518 /nfs/dbraw/zinc/01/35/18/560013518.db2.gz LCCPUJCGTYBOLN-FQEVSTJZSA-N 1 1 369.421 2.270 20 5 FEBDMO CCOc1ccccc1C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000441383060 560030520 /nfs/dbraw/zinc/03/05/20/560030520.db2.gz SEPNZTIVOMBBHN-INIZCTEOSA-N 1 1 373.457 2.396 20 5 FEBDMO CCOc1ccccc1C[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000441383060 560030522 /nfs/dbraw/zinc/03/05/22/560030522.db2.gz SEPNZTIVOMBBHN-INIZCTEOSA-N 1 1 373.457 2.396 20 5 FEBDMO CCOc1ccccc1CN1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000441383060 560030523 /nfs/dbraw/zinc/03/05/23/560030523.db2.gz SEPNZTIVOMBBHN-INIZCTEOSA-N 1 1 373.457 2.396 20 5 FEBDMO CCOc1ccccc1CN1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1 ZINC000441383060 560030524 /nfs/dbraw/zinc/03/05/24/560030524.db2.gz SEPNZTIVOMBBHN-INIZCTEOSA-N 1 1 373.457 2.396 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441642628 560036871 /nfs/dbraw/zinc/03/68/71/560036871.db2.gz HGAVSQZTTNAQME-UONOGXRCSA-N 1 1 361.398 2.251 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000443063233 560068647 /nfs/dbraw/zinc/06/86/47/560068647.db2.gz DBGKMJHICPRHDK-GXTWGEPZSA-N 1 1 352.387 2.146 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443785872 560092942 /nfs/dbraw/zinc/09/29/42/560092942.db2.gz YHSFWSJBGQOOMR-OKILXGFUSA-N 1 1 355.460 2.277 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000444893580 560124185 /nfs/dbraw/zinc/12/41/85/560124185.db2.gz GOMMUCCCKMZHOM-OAHLLOKOSA-N 1 1 366.418 2.082 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447928039 560173381 /nfs/dbraw/zinc/17/33/81/560173381.db2.gz CRDVKCCTNGXPQP-HNNXBMFYSA-N 1 1 355.460 2.302 20 5 FEBDMO C[NH+](C)CCn1ccc(=NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])[nH]1 ZINC000448829626 560201304 /nfs/dbraw/zinc/20/13/04/560201304.db2.gz ATHWNWQHGVKTDQ-UHFFFAOYSA-N 1 1 371.319 2.624 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[N@H+]1C1CC1 ZINC000450071311 560249872 /nfs/dbraw/zinc/24/98/72/560249872.db2.gz BBRQMQCOHBILMT-OCCSQVGLSA-N 1 1 355.398 2.136 20 5 FEBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450149179 560252274 /nfs/dbraw/zinc/25/22/74/560252274.db2.gz VETJWJJDDHSVTR-PXAZEXFGSA-N 1 1 357.414 2.443 20 5 FEBDMO C[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[NH+]1CCN(C)CC1 ZINC000450306732 560257817 /nfs/dbraw/zinc/25/78/17/560257817.db2.gz UPBNYFZPLLWCGQ-CYBMUJFWSA-N 1 1 361.471 2.766 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@@H]1C ZINC000450314878 560258087 /nfs/dbraw/zinc/25/80/87/560258087.db2.gz CJSVZBATSIUVPT-UONOGXRCSA-N 1 1 357.414 2.335 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)C1 ZINC000450336804 560259001 /nfs/dbraw/zinc/25/90/01/560259001.db2.gz BKZVCABAGJLTBO-HIFRSBDPSA-N 1 1 361.446 2.442 20 5 FEBDMO C[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000450491087 560264039 /nfs/dbraw/zinc/26/40/39/560264039.db2.gz VWXLYXNZWAWQBL-UHFFFAOYSA-N 1 1 350.419 2.232 20 5 FEBDMO C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000450491087 560264040 /nfs/dbraw/zinc/26/40/40/560264040.db2.gz VWXLYXNZWAWQBL-UHFFFAOYSA-N 1 1 350.419 2.232 20 5 FEBDMO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000450797880 560273705 /nfs/dbraw/zinc/27/37/05/560273705.db2.gz XWMBOMBRZJWNQY-PHIMTYICSA-N 1 1 358.236 2.249 20 5 FEBDMO C[C@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000450952915 560279724 /nfs/dbraw/zinc/27/97/24/560279724.db2.gz JLEKBRHOEYNULW-HNNXBMFYSA-N 1 1 372.425 2.072 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000450952915 560279725 /nfs/dbraw/zinc/27/97/25/560279725.db2.gz JLEKBRHOEYNULW-HNNXBMFYSA-N 1 1 372.425 2.072 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])cc1F ZINC000451197632 560292575 /nfs/dbraw/zinc/29/25/75/560292575.db2.gz AKVZKBJIPLAHMX-GFCCVEGCSA-N 1 1 351.378 2.489 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CO)[C@H]2CC)c([N+](=O)[O-])c1 ZINC000451250691 560295979 /nfs/dbraw/zinc/29/59/79/560295979.db2.gz DSJFBULNAIUBRE-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](CO)[C@H]2CC)c([N+](=O)[O-])c1 ZINC000451250691 560295980 /nfs/dbraw/zinc/29/59/80/560295980.db2.gz DSJFBULNAIUBRE-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414359 560305607 /nfs/dbraw/zinc/30/56/07/560305607.db2.gz IFHCCORKGVCBRO-JQHSSLGASA-N 1 1 359.426 2.109 20 5 FEBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@@H](O)COC3CCOCC3)C2)cc1 ZINC000451543480 560313543 /nfs/dbraw/zinc/31/35/43/560313543.db2.gz BYYMXQVWZADCLI-FUHWJXTLSA-N 1 1 364.442 2.331 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451558283 560314593 /nfs/dbraw/zinc/31/45/93/560314593.db2.gz FTSWKENTORRKCG-WFASDCNBSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451579765 560315956 /nfs/dbraw/zinc/31/59/56/560315956.db2.gz YVRPBNREKBQAER-TYNCELHUSA-N 1 1 351.403 2.287 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451579765 560315957 /nfs/dbraw/zinc/31/59/57/560315957.db2.gz YVRPBNREKBQAER-TYNCELHUSA-N 1 1 351.403 2.287 20 5 FEBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000451982769 560342210 /nfs/dbraw/zinc/34/22/10/560342210.db2.gz KAHAFWGIHKIKQU-UHFFFAOYSA-N 1 1 350.463 2.109 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+](C2CC2)C1 ZINC000452176800 560354833 /nfs/dbraw/zinc/35/48/33/560354833.db2.gz VYFRIHDOVGPRTN-GFCCVEGCSA-N 1 1 370.409 2.405 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000453980458 560419096 /nfs/dbraw/zinc/41/90/96/560419096.db2.gz RLTBOUKSJYRVMP-LLVKDONJSA-N 1 1 368.821 2.129 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000453980458 560419097 /nfs/dbraw/zinc/41/90/97/560419097.db2.gz RLTBOUKSJYRVMP-LLVKDONJSA-N 1 1 368.821 2.129 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000454763480 560457274 /nfs/dbraw/zinc/45/72/74/560457274.db2.gz DDHFQFZWZFLJJM-DOMZBBRYSA-N 1 1 352.822 2.136 20 5 FEBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(NC)n2)c1 ZINC000454950609 560464789 /nfs/dbraw/zinc/46/47/89/560464789.db2.gz BGSKTHBAQXDYTG-UHFFFAOYSA-N 1 1 357.414 2.413 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000455030519 560467896 /nfs/dbraw/zinc/46/78/96/560467896.db2.gz DFLKCQWOWKMXBZ-HNNXBMFYSA-N 1 1 369.425 2.398 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)n1 ZINC000456317405 560515003 /nfs/dbraw/zinc/51/50/03/560515003.db2.gz APSUPCSKPRLEOG-OAHLLOKOSA-N 1 1 371.441 2.405 20 5 FEBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000458499535 560627740 /nfs/dbraw/zinc/62/77/40/560627740.db2.gz JWABSENFBVXSKH-ZBFHGGJFSA-N 1 1 364.446 2.110 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000459513333 560690972 /nfs/dbraw/zinc/69/09/72/560690972.db2.gz RPEKUMXEINBIHQ-INIZCTEOSA-N 1 1 350.419 2.045 20 5 FEBDMO COCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1c(C)nn(C)c1C ZINC000459558695 560694053 /nfs/dbraw/zinc/69/40/53/560694053.db2.gz AUNFYOKACNKAAX-UHFFFAOYSA-N 1 1 362.430 2.473 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000461646841 560778666 /nfs/dbraw/zinc/77/86/66/560778666.db2.gz FGPZXOATFOSHKQ-LBPRGKRZSA-N 1 1 351.403 2.232 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000462191672 560800991 /nfs/dbraw/zinc/80/09/91/560800991.db2.gz WAPVYQCESJFZOP-WMLDXEAASA-N 1 1 371.441 2.163 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)[C@@H](C)C1 ZINC000467088052 560903398 /nfs/dbraw/zinc/90/33/98/560903398.db2.gz DIVCPKPYUCCILT-CMPLNLGQSA-N 1 1 361.489 2.316 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000467198464 560906222 /nfs/dbraw/zinc/90/62/22/560906222.db2.gz SUIRKAUDQXKQIV-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000467198464 560906223 /nfs/dbraw/zinc/90/62/23/560906223.db2.gz SUIRKAUDQXKQIV-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000470507629 560983603 /nfs/dbraw/zinc/98/36/03/560983603.db2.gz NTSYPYJTEKZFCU-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000472612992 561031050 /nfs/dbraw/zinc/03/10/50/561031050.db2.gz YUBSMKPDQSKUCR-FZMZJTMJSA-N 1 1 366.393 2.004 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000473177381 561043441 /nfs/dbraw/zinc/04/34/41/561043441.db2.gz NFOAMPSGUDZVPL-QMTHXVAHSA-N 1 1 365.411 2.315 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000475700691 561102700 /nfs/dbraw/zinc/10/27/00/561102700.db2.gz KGZPSSNZPRQWBR-OAHLLOKOSA-N 1 1 366.414 2.394 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000475700691 561102701 /nfs/dbraw/zinc/10/27/01/561102701.db2.gz KGZPSSNZPRQWBR-OAHLLOKOSA-N 1 1 366.414 2.394 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000475753412 561104435 /nfs/dbraw/zinc/10/44/35/561104435.db2.gz XWBNEPJUVPAGPH-SJLPKXTDSA-N 1 1 350.415 2.227 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000531296705 562441106 /nfs/dbraw/zinc/44/11/06/562441106.db2.gz NXKGNNPHSHDEPS-ZDUSSCGKSA-N 1 1 361.398 2.127 20 5 FEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532430643 562477821 /nfs/dbraw/zinc/47/78/21/562477821.db2.gz CWNUCMFAQSQEDC-IRXDYDNUSA-N 1 1 362.430 2.037 20 5 FEBDMO CNc1ccc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000533101581 562498651 /nfs/dbraw/zinc/49/86/51/562498651.db2.gz JOFUDCBZEWVMPA-UHFFFAOYSA-N 1 1 364.446 2.067 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000533344639 562506077 /nfs/dbraw/zinc/50/60/77/562506077.db2.gz HFFUOQACJKKXEC-UHFFFAOYSA-N 1 1 365.430 2.094 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000535015521 562547949 /nfs/dbraw/zinc/54/79/49/562547949.db2.gz UMMAVIJZNHGGHX-ZDUSSCGKSA-N 1 1 367.471 2.405 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000541114211 562603491 /nfs/dbraw/zinc/60/34/91/562603491.db2.gz KSCSPCPLJVWAJI-AWEZNQCLSA-N 1 1 364.446 2.067 20 5 FEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254992 568320978 /nfs/dbraw/zinc/32/09/78/568320978.db2.gz GOBPUKDLEWDKRW-OBJOEFQTSA-N 1 1 361.398 2.126 20 5 FEBDMO COC(=O)c1cnc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000569860743 568431186 /nfs/dbraw/zinc/43/11/86/568431186.db2.gz CGZRCEGBTIVDGI-HNNXBMFYSA-N 1 1 356.382 2.463 20 5 FEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000570749378 568510673 /nfs/dbraw/zinc/51/06/73/568510673.db2.gz SDBGXFSEORXEDR-JQHSSLGASA-N 1 1 374.441 2.330 20 5 FEBDMO Cc1cc(C)c(-c2nn[nH]n2)c(NCCOc2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000737242621 598592362 /nfs/dbraw/zinc/59/23/62/598592362.db2.gz XQYIXBFGIUOHOY-UHFFFAOYSA-N 1 1 355.358 2.278 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000557152103 674440145 /nfs/dbraw/zinc/44/01/45/674440145.db2.gz QMYBHKTXFRKVLR-OLZOCXBDSA-N 1 1 367.471 2.388 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000557152103 674440146 /nfs/dbraw/zinc/44/01/46/674440146.db2.gz QMYBHKTXFRKVLR-OLZOCXBDSA-N 1 1 367.471 2.388 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000808354129 674456058 /nfs/dbraw/zinc/45/60/58/674456058.db2.gz IWLQKVJMHUBXCW-LBPRGKRZSA-N 1 1 361.439 2.441 20 5 FEBDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])c(Cl)c2)NC(=O)NC1=O ZINC000809705149 674506162 /nfs/dbraw/zinc/50/61/62/674506162.db2.gz OVQDBYBLSVXCRX-ZBEGNZNMSA-N 1 1 366.805 2.201 20 5 FEBDMO CN1CC[NH+](C(C)(C)CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809919864 674519665 /nfs/dbraw/zinc/51/96/65/674519665.db2.gz ILIDVCKRKUZYMR-UHFFFAOYSA-N 1 1 369.853 2.396 20 5 FEBDMO CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000688 606226801 /nfs/dbraw/zinc/22/68/01/606226801.db2.gz HXBDWLBUNZGEHF-UONOGXRCSA-N 1 1 357.418 2.228 20 5 FEBDMO O=[N+]([O-])c1cc(N2CC[NH+](Cc3cccs3)CC2)ccc1-c1nn[nH]n1 ZINC000823634473 606645167 /nfs/dbraw/zinc/64/51/67/606645167.db2.gz GTRXYRBNHWZMGG-UHFFFAOYSA-N 1 1 371.426 2.159 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000560072601 674566689 /nfs/dbraw/zinc/56/66/89/674566689.db2.gz IEVRGTZXVLNMHE-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO C[NH+](C)CC1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000563012895 674835076 /nfs/dbraw/zinc/83/50/76/674835076.db2.gz CXASNJBJDWLWKM-UHFFFAOYSA-N 1 1 369.487 2.080 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750304 675077650 /nfs/dbraw/zinc/07/76/50/675077650.db2.gz LDLOYDINFHOUKB-HUUCEWRRSA-N 1 1 353.806 2.183 20 5 FEBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000816936304 675088213 /nfs/dbraw/zinc/08/82/13/675088213.db2.gz HTWGAJRJZWBVSK-LBPRGKRZSA-N 1 1 353.806 2.043 20 5 FEBDMO C[C@@H](CNC[C@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000565594312 675134952 /nfs/dbraw/zinc/13/49/52/675134952.db2.gz UFRYLSHVHGMFSE-HOTGVXAUSA-N 1 1 351.447 2.046 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000113301001 670883389 /nfs/dbraw/zinc/88/33/89/670883389.db2.gz XTXHQXMAXUMPIO-GFCCVEGCSA-N 1 1 359.423 2.277 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000565922593 675161330 /nfs/dbraw/zinc/16/13/30/675161330.db2.gz MAXDQCFRJXXJHI-OAHLLOKOSA-N 1 1 350.419 2.390 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000574240271 671217260 /nfs/dbraw/zinc/21/72/60/671217260.db2.gz JOGFBFPOMDLWHY-LBPRGKRZSA-N 1 1 351.403 2.074 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3nccc4sccc43)CC2)n1 ZINC000574721885 671271468 /nfs/dbraw/zinc/27/14/68/671271468.db2.gz ITJJKDZNQQQANR-UHFFFAOYSA-N 1 1 358.427 2.223 20 5 FEBDMO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457792 671370068 /nfs/dbraw/zinc/37/00/68/671370068.db2.gz RNUJHHIMANIWSI-WBVHZDCISA-N 1 1 351.447 2.045 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457792 671370071 /nfs/dbraw/zinc/37/00/71/671370071.db2.gz RNUJHHIMANIWSI-WBVHZDCISA-N 1 1 351.447 2.045 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000609269186 675916335 /nfs/dbraw/zinc/91/63/35/675916335.db2.gz MRAHZVQRRPHLGE-UONOGXRCSA-N 1 1 367.471 2.302 20 5 FEBDMO CCCc1n[nH]c(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000609476778 675923242 /nfs/dbraw/zinc/92/32/42/675923242.db2.gz RBZCVALAXXLCLF-FRRDWIJNSA-N 1 1 351.451 2.367 20 5 FEBDMO C[N@H+]1CCCN(CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000609876139 675940824 /nfs/dbraw/zinc/94/08/24/675940824.db2.gz TXVULXJRKSSXRU-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@H+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000609876139 675940826 /nfs/dbraw/zinc/94/08/26/675940826.db2.gz TXVULXJRKSSXRU-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@@H+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000609876139 675940828 /nfs/dbraw/zinc/94/08/28/675940828.db2.gz TXVULXJRKSSXRU-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000121943841 671960472 /nfs/dbraw/zinc/96/04/72/671960472.db2.gz WKTHNRRANHREAT-BETUJISGSA-N 1 1 367.471 2.498 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000121943841 671960474 /nfs/dbraw/zinc/96/04/74/671960474.db2.gz WKTHNRRANHREAT-BETUJISGSA-N 1 1 367.471 2.498 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000131539949 672089166 /nfs/dbraw/zinc/08/91/66/672089166.db2.gz CRZSDZHINYFWOP-OAHLLOKOSA-N 1 1 366.849 2.162 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000583991871 672145245 /nfs/dbraw/zinc/14/52/45/672145245.db2.gz ANSMDVZIPWHZDD-YOEHRIQHSA-N 1 1 368.455 2.260 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000584811167 672217732 /nfs/dbraw/zinc/21/77/32/672217732.db2.gz QQRKTZCBOSWNFK-CQSZACIVSA-N 1 1 357.476 2.177 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000585800618 672236227 /nfs/dbraw/zinc/23/62/27/672236227.db2.gz CCYFYHFWSUCYMB-KSZLIROESA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000585800618 672236228 /nfs/dbraw/zinc/23/62/28/672236228.db2.gz CCYFYHFWSUCYMB-KSZLIROESA-N 1 1 350.415 2.226 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000611185338 676023842 /nfs/dbraw/zinc/02/38/42/676023842.db2.gz YRZOQLCMCXGVEG-NXEZZACHSA-N 1 1 373.253 2.429 20 5 FEBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590045379 672555997 /nfs/dbraw/zinc/55/59/97/672555997.db2.gz QEHKSHNBZMFHDX-YGRLFVJLSA-N 1 1 368.231 2.442 20 5 FEBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000590387115 672576831 /nfs/dbraw/zinc/57/68/31/672576831.db2.gz FALDCJBGNNSEBY-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000590591635 672594018 /nfs/dbraw/zinc/59/40/18/672594018.db2.gz VOMQCAKEUCSZHA-CYBMUJFWSA-N 1 1 373.450 2.395 20 5 FEBDMO O=[N+]([O-])c1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000591284962 672664952 /nfs/dbraw/zinc/66/49/52/672664952.db2.gz FQIXJADCKFLQCC-ZBFHGGJFSA-N 1 1 351.834 2.449 20 5 FEBDMO C[C@H](CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000591727750 672705099 /nfs/dbraw/zinc/70/50/99/672705099.db2.gz FVJNLEJXWZSBKT-WBVHZDCISA-N 1 1 351.447 2.046 20 5 FEBDMO CC1(C)CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000591845993 672715830 /nfs/dbraw/zinc/71/58/30/672715830.db2.gz GLUHUQYSGWEVCK-UHFFFAOYSA-N 1 1 372.263 2.246 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)CO1 ZINC000593060905 672870265 /nfs/dbraw/zinc/87/02/65/672870265.db2.gz FMKRHUJYKWOXED-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000593658620 672972984 /nfs/dbraw/zinc/97/29/84/672972984.db2.gz QKIJMORTYODXRY-UHFFFAOYSA-N 1 1 370.837 2.281 20 5 FEBDMO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000593674399 672976807 /nfs/dbraw/zinc/97/68/07/672976807.db2.gz RRRLHZSQKPYKRB-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000594475984 673082272 /nfs/dbraw/zinc/08/22/72/673082272.db2.gz WGRUINFYHWFBKO-UHFFFAOYSA-N 1 1 355.460 2.398 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484925 673088325 /nfs/dbraw/zinc/08/83/25/673088325.db2.gz YCUIECZGBCMNTJ-KGLIPLIRSA-N 1 1 353.444 2.198 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594799289 673146812 /nfs/dbraw/zinc/14/68/12/673146812.db2.gz LRRCFBRBGNNPQP-ZDUSSCGKSA-N 1 1 355.460 2.308 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595312443 673221645 /nfs/dbraw/zinc/22/16/45/673221645.db2.gz MOWQIGCGOBFRFE-KRWDZBQOSA-N 1 1 350.438 2.336 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595410396 673245740 /nfs/dbraw/zinc/24/57/40/673245740.db2.gz LMOJGDRMCCOGLD-HNNXBMFYSA-N 1 1 367.471 2.136 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595679778 673282956 /nfs/dbraw/zinc/28/29/56/673282956.db2.gz YCAAJCZZYMLWRR-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595679778 673282958 /nfs/dbraw/zinc/28/29/58/673282958.db2.gz YCAAJCZZYMLWRR-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c(F)c1N1CCOCC1 ZINC000596091089 673358038 /nfs/dbraw/zinc/35/80/38/673358038.db2.gz HLIKLHBGNDOXHA-GFCCVEGCSA-N 1 1 350.394 2.219 20 5 FEBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596477558 673388550 /nfs/dbraw/zinc/38/85/50/673388550.db2.gz BFHMMLDFLRQGNY-GFCCVEGCSA-N 1 1 368.459 2.061 20 5 FEBDMO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597579022 673489518 /nfs/dbraw/zinc/48/95/18/673489518.db2.gz LJBVVBMZNHSRAY-IUIKQTSFSA-N 1 1 353.369 2.482 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348632 673535362 /nfs/dbraw/zinc/53/53/62/673535362.db2.gz RNOYGKSJMYGBES-ZIAGYGMSSA-N 1 1 350.419 2.066 20 5 FEBDMO COCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000542506746 673587169 /nfs/dbraw/zinc/58/71/69/673587169.db2.gz POBWSUDMYXHSSI-JTQLQIEISA-N 1 1 359.224 2.193 20 5 FEBDMO COCC[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(C)c2Br)C1 ZINC000542506746 673587170 /nfs/dbraw/zinc/58/71/70/673587170.db2.gz POBWSUDMYXHSSI-JTQLQIEISA-N 1 1 359.224 2.193 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000599102387 673633226 /nfs/dbraw/zinc/63/32/26/673633226.db2.gz FAFMAHVITPNQBH-UHFFFAOYSA-N 1 1 371.235 2.053 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000614222639 676165465 /nfs/dbraw/zinc/16/54/65/676165465.db2.gz QPBKSJLZIBDBHW-INIZCTEOSA-N 1 1 350.415 2.227 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000740841183 673656764 /nfs/dbraw/zinc/65/67/64/673656764.db2.gz NAWFCLSEFDDABY-DGCLKSJQSA-N 1 1 350.375 2.448 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632062 673699741 /nfs/dbraw/zinc/69/97/41/673699741.db2.gz TXXVWDHIHCMLMK-XESHVACXSA-N 1 1 365.455 2.217 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cccc1[N+](=O)[O-] ZINC000599632327 673699879 /nfs/dbraw/zinc/69/98/79/673699879.db2.gz ZRWUWRXZCYGRLG-JXQWACKNSA-N 1 1 365.455 2.217 20 5 FEBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000544628026 673721816 /nfs/dbraw/zinc/72/18/16/673721816.db2.gz TVYUHJBUZVJZMO-AWEZNQCLSA-N 1 1 366.487 2.071 20 5 FEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH+](CCCF)CC1 ZINC000600075272 673738864 /nfs/dbraw/zinc/73/88/64/673738864.db2.gz BNYFQFHJRJDLCZ-UHFFFAOYSA-N 1 1 374.210 2.475 20 5 FEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000600271930 673752951 /nfs/dbraw/zinc/75/29/51/673752951.db2.gz QDYPXWGBUGENLT-SNVBAGLBSA-N 1 1 361.320 2.360 20 5 FEBDMO O=[N+]([O-])c1c(N2CC[NH+](Cc3ccc(O)cc3)CC2)nc2sccn21 ZINC000601257657 673836222 /nfs/dbraw/zinc/83/62/22/673836222.db2.gz QYYYGLNNCPBNMH-UHFFFAOYSA-N 1 1 359.411 2.332 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)cc1C ZINC000547243246 673837472 /nfs/dbraw/zinc/83/74/72/673837472.db2.gz SLZZFCPCDIKAAC-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)cc1C ZINC000547243246 673837476 /nfs/dbraw/zinc/83/74/76/673837476.db2.gz SLZZFCPCDIKAAC-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601374103 673850772 /nfs/dbraw/zinc/85/07/72/673850772.db2.gz ALDZRYBPFOUKAD-NEPJUHHUSA-N 1 1 359.473 2.070 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)c1 ZINC000602729494 673910080 /nfs/dbraw/zinc/91/00/80/673910080.db2.gz RVGKIXCEYJKFAD-PIGZYNQJSA-N 1 1 350.371 2.012 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CCC[N@@H+]1CCCO ZINC000820990307 675405069 /nfs/dbraw/zinc/40/50/69/675405069.db2.gz NLRSJRAGOQKGPS-CYBMUJFWSA-N 1 1 369.849 2.144 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000822977818 675520778 /nfs/dbraw/zinc/52/07/78/675520778.db2.gz BJQQTHCWZOPLQD-UHFFFAOYSA-N 1 1 350.463 2.167 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000822977818 675520781 /nfs/dbraw/zinc/52/07/81/675520781.db2.gz BJQQTHCWZOPLQD-UHFFFAOYSA-N 1 1 350.463 2.167 20 5 FEBDMO O=C(N1C[C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])CC[C@@H]2C1)C(F)(F)F ZINC000824831192 675624264 /nfs/dbraw/zinc/62/42/64/675624264.db2.gz VMJWORRRIFXJCI-YPMHNXCESA-N 1 1 357.332 2.437 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NCCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000825449844 675653583 /nfs/dbraw/zinc/65/35/83/675653583.db2.gz CDXFVFLTSVHGJZ-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825797236 675669493 /nfs/dbraw/zinc/66/94/93/675669493.db2.gz SJNBQYHJDTTZKI-JTQLQIEISA-N 1 1 371.235 2.357 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603930593 675802358 /nfs/dbraw/zinc/80/23/58/675802358.db2.gz ZEFPATWSZOQXSH-ZDUSSCGKSA-N 1 1 370.475 2.309 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000828337799 675814134 /nfs/dbraw/zinc/81/41/34/675814134.db2.gz BNXBCKOVNYSINX-UWVGGRQHSA-N 1 1 368.821 2.371 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000828337799 675814138 /nfs/dbraw/zinc/81/41/38/675814138.db2.gz BNXBCKOVNYSINX-UWVGGRQHSA-N 1 1 368.821 2.371 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000829688430 675887440 /nfs/dbraw/zinc/88/74/40/675887440.db2.gz XZJVXKNYXAWBLY-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000829688430 675887442 /nfs/dbraw/zinc/88/74/42/675887442.db2.gz XZJVXKNYXAWBLY-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000616135992 676240545 /nfs/dbraw/zinc/24/05/45/676240545.db2.gz JEHDEPCCRSFJAO-UHFFFAOYSA-N 1 1 352.387 2.148 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000618455838 676340432 /nfs/dbraw/zinc/34/04/32/676340432.db2.gz VPZRVJCYDVTQDQ-HIFRSBDPSA-N 1 1 367.833 2.228 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000619474054 676379001 /nfs/dbraw/zinc/37/90/01/676379001.db2.gz UOVYLBXRNDQPIT-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839682550 680771828 /nfs/dbraw/zinc/77/18/28/680771828.db2.gz FRRGEJXUELVWFP-MGPQQGTHSA-N 1 1 357.332 2.061 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839682550 680771830 /nfs/dbraw/zinc/77/18/30/680771830.db2.gz FRRGEJXUELVWFP-MGPQQGTHSA-N 1 1 357.332 2.061 20 5 FEBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000839682550 680771831 /nfs/dbraw/zinc/77/18/31/680771831.db2.gz FRRGEJXUELVWFP-MGPQQGTHSA-N 1 1 357.332 2.061 20 5 FEBDMO Cc1nn(C[N@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)c(C)c1[N+](=O)[O-] ZINC000840137271 680801510 /nfs/dbraw/zinc/80/15/10/680801510.db2.gz FSOBUXQMEJAVHP-CABCVRRESA-N 1 1 350.419 2.373 20 5 FEBDMO O=[N+]([O-])c1ccc(CNC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000841069642 680861726 /nfs/dbraw/zinc/86/17/26/680861726.db2.gz BSOTWZYWKRTICJ-ZDUSSCGKSA-N 1 1 366.771 2.174 20 5 FEBDMO COC(=O)c1cc(C(=O)OCC[C@@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000747575783 679891338 /nfs/dbraw/zinc/89/13/38/679891338.db2.gz NBXNUMBVYQNSLO-AWEZNQCLSA-N 1 1 350.371 2.413 20 5 FEBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832283542 680119774 /nfs/dbraw/zinc/11/97/74/680119774.db2.gz BSMWOLYSXXWDDA-WFASDCNBSA-N 1 1 361.364 2.444 20 5 FEBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832283542 680119777 /nfs/dbraw/zinc/11/97/77/680119777.db2.gz BSMWOLYSXXWDDA-WFASDCNBSA-N 1 1 361.364 2.444 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000832490054 680139416 /nfs/dbraw/zinc/13/94/16/680139416.db2.gz IUZDQEGQCOMCBX-NEPJUHHUSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000832490054 680139421 /nfs/dbraw/zinc/13/94/21/680139421.db2.gz IUZDQEGQCOMCBX-NEPJUHHUSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1ccc([C@@H](C)NC(=S)NCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000751916077 680209409 /nfs/dbraw/zinc/20/94/09/680209409.db2.gz YLRLFRMXZNXHIR-CQSZACIVSA-N 1 1 366.487 2.151 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCc2ccccc2Cl)CC1 ZINC000981138143 680217161 /nfs/dbraw/zinc/21/71/61/680217161.db2.gz MOAIBYMCUNVKGV-GDBMZVCRSA-N 1 1 351.834 2.082 20 5 FEBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000752072658 680221940 /nfs/dbraw/zinc/22/19/40/680221940.db2.gz JFXTXDIMCIEULZ-OLZOCXBDSA-N 1 1 353.423 2.026 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c1F ZINC000834591715 680244670 /nfs/dbraw/zinc/24/46/70/680244670.db2.gz CESBCVHWMGADKT-WDEREUQCSA-N 1 1 357.332 2.440 20 5 FEBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983649791 680317483 /nfs/dbraw/zinc/31/74/83/680317483.db2.gz SBJIHHDCQOFQDW-QGMIFYJMSA-N 1 1 355.797 2.129 20 5 FEBDMO Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(Cl)c1 ZINC000996429739 680332439 /nfs/dbraw/zinc/33/24/39/680332439.db2.gz VODMVTBSHKINKY-GDBMZVCRSA-N 1 1 351.834 2.394 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000997768930 680365838 /nfs/dbraw/zinc/36/58/38/680365838.db2.gz KYFKABPHTZBARC-HUUCEWRRSA-N 1 1 364.471 2.014 20 5 FEBDMO C[N@@H+](Cc1sccc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431536 680447585 /nfs/dbraw/zinc/44/75/85/680447585.db2.gz QTHTUQYQMKUGNL-DGCLKSJQSA-N 1 1 357.863 2.490 20 5 FEBDMO C[N@H+](Cc1sccc1Cl)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431536 680447590 /nfs/dbraw/zinc/44/75/90/680447590.db2.gz QTHTUQYQMKUGNL-DGCLKSJQSA-N 1 1 357.863 2.490 20 5 FEBDMO C[N@@H+](Cc1sccc1Cl)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985431536 680447593 /nfs/dbraw/zinc/44/75/93/680447593.db2.gz QTHTUQYQMKUGNL-DGCLKSJQSA-N 1 1 357.863 2.490 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000766205827 680870309 /nfs/dbraw/zinc/87/03/09/680870309.db2.gz ACRAZKRPEMRLEY-LBPRGKRZSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000766205827 680870310 /nfs/dbraw/zinc/87/03/10/680870310.db2.gz ACRAZKRPEMRLEY-LBPRGKRZSA-N 1 1 357.407 2.029 20 5 FEBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000841523891 680891423 /nfs/dbraw/zinc/89/14/23/680891423.db2.gz IIRLIQPRKGMASP-QMMMGPOBSA-N 1 1 368.242 2.132 20 5 FEBDMO O=C(CCN1CCC[C@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475667 680949302 /nfs/dbraw/zinc/94/93/02/680949302.db2.gz XSFXEBKQOQSOOJ-QGZVFWFLSA-N 1 1 350.394 2.138 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000769900885 680999501 /nfs/dbraw/zinc/99/95/01/680999501.db2.gz WPHZIDSDWFKZRD-GFCCVEGCSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000769900885 680999503 /nfs/dbraw/zinc/99/95/03/680999503.db2.gz WPHZIDSDWFKZRD-GFCCVEGCSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000843867500 681022881 /nfs/dbraw/zinc/02/28/81/681022881.db2.gz KZICMEIJLGLNOZ-GFCCVEGCSA-N 1 1 353.394 2.273 20 5 FEBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000771396613 681054049 /nfs/dbraw/zinc/05/40/49/681054049.db2.gz NKCFKCWVFUSBFN-RYUDHWBXSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000771396613 681054050 /nfs/dbraw/zinc/05/40/50/681054050.db2.gz NKCFKCWVFUSBFN-RYUDHWBXSA-N 1 1 350.375 2.284 20 5 FEBDMO C[C@@H]1[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@@H](C)C[N@H+]1C ZINC000844643416 681070155 /nfs/dbraw/zinc/07/01/55/681070155.db2.gz RFIILMARVNXINP-TUAOUCFPSA-N 1 1 352.410 2.353 20 5 FEBDMO CC[N@@H+](C)C[C@H](O)CN[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000846997556 681318287 /nfs/dbraw/zinc/31/82/87/681318287.db2.gz UOSIHLNMWBMXJO-RNCFNFMXSA-N 1 1 353.316 2.240 20 5 FEBDMO CC[N@@H+](C)C[C@@H](O)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000846997557 681318620 /nfs/dbraw/zinc/31/86/20/681318620.db2.gz UOSIHLNMWBMXJO-TVQRCGJNSA-N 1 1 353.316 2.240 20 5 FEBDMO C[C@]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000776590968 681412653 /nfs/dbraw/zinc/41/26/53/681412653.db2.gz KWUYLJPSPHXDNO-DOTOQJQBSA-N 1 1 363.801 2.272 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777800354 681531778 /nfs/dbraw/zinc/53/17/78/681531778.db2.gz PCBYMXDNZZFWPR-WDEREUQCSA-N 1 1 363.443 2.450 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582884 681582796 /nfs/dbraw/zinc/58/27/96/681582796.db2.gz RKLXVFDAWMKQBV-GFCCVEGCSA-N 1 1 357.357 2.415 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848582686 681582863 /nfs/dbraw/zinc/58/28/63/681582863.db2.gz PFEHYMFFXVZJQZ-GFCCVEGCSA-N 1 1 357.357 2.413 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000935444717 681751924 /nfs/dbraw/zinc/75/19/24/681751924.db2.gz ADZHDLMJOLGMTD-CYBMUJFWSA-N 1 1 366.487 2.073 20 5 FEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000913532919 685479420 /nfs/dbraw/zinc/47/94/20/685479420.db2.gz GLHVAOOWDHZTBY-TXEJJXNPSA-N 1 1 368.231 2.205 20 5 FEBDMO CC[N@H+](Cc1cc(C)ns1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713306 681918636 /nfs/dbraw/zinc/91/86/36/681918636.db2.gz WWFIXNQOEPZGIO-HZPDHXFCSA-N 1 1 366.487 2.177 20 5 FEBDMO CC[N@@H+](Cc1cc(C)ns1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713306 681918640 /nfs/dbraw/zinc/91/86/40/681918640.db2.gz WWFIXNQOEPZGIO-HZPDHXFCSA-N 1 1 366.487 2.177 20 5 FEBDMO CC[N@H+](Cc1cc(C)ns1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713306 681918645 /nfs/dbraw/zinc/91/86/45/681918645.db2.gz WWFIXNQOEPZGIO-HZPDHXFCSA-N 1 1 366.487 2.177 20 5 FEBDMO CC[N@H+](Cc1cnc(C)s1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713056 681918983 /nfs/dbraw/zinc/91/89/83/681918983.db2.gz JKZDHAGXSNCECY-HZPDHXFCSA-N 1 1 366.487 2.177 20 5 FEBDMO CC[N@@H+](Cc1cnc(C)s1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713056 681918985 /nfs/dbraw/zinc/91/89/85/681918985.db2.gz JKZDHAGXSNCECY-HZPDHXFCSA-N 1 1 366.487 2.177 20 5 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CCN1CC[NH+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000046939584 540278347 /nfs/dbraw/zinc/27/83/47/540278347.db2.gz UDJMLHZVMNCITQ-UHFFFAOYSA-N 1 1 372.425 2.255 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000047226919 540297438 /nfs/dbraw/zinc/29/74/38/540297438.db2.gz DLGFSLCOBIXAJO-JKSUJKDBSA-N 1 1 361.398 2.128 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929953 540500253 /nfs/dbraw/zinc/50/02/53/540500253.db2.gz JWNXAMRIBFFAQS-ZFWWWQNUSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929953 540500257 /nfs/dbraw/zinc/50/02/57/540500257.db2.gz JWNXAMRIBFFAQS-ZFWWWQNUSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000053358745 540528560 /nfs/dbraw/zinc/52/85/60/540528560.db2.gz OSQGCRHBEXQINS-OAHLLOKOSA-N 1 1 371.441 2.340 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000054626278 540599300 /nfs/dbraw/zinc/59/93/00/540599300.db2.gz YCHFKQDVKIJQNS-UHFFFAOYSA-N 1 1 367.365 2.179 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000060506382 541115845 /nfs/dbraw/zinc/11/58/45/541115845.db2.gz WVZPPIXCKCAYQH-UHFFFAOYSA-N 1 1 352.416 2.085 20 5 FEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067393839 541454923 /nfs/dbraw/zinc/45/49/23/541454923.db2.gz JTVUZESTZHMDKL-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067414248 541459859 /nfs/dbraw/zinc/45/98/59/541459859.db2.gz CIJPQYKGKGXPQO-UKRRQHHQSA-N 1 1 362.430 2.078 20 5 FEBDMO CC(=O)NC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067414248 541459862 /nfs/dbraw/zinc/45/98/62/541459862.db2.gz CIJPQYKGKGXPQO-UKRRQHHQSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067592338 541485844 /nfs/dbraw/zinc/48/58/44/541485844.db2.gz KNQZYUYTKBVCCO-CYBMUJFWSA-N 1 1 368.397 2.352 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067782125 541512588 /nfs/dbraw/zinc/51/25/88/541512588.db2.gz SJQQHCAFHDMCBC-NSHDSACASA-N 1 1 368.821 2.033 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000067998375 541537192 /nfs/dbraw/zinc/53/71/92/541537192.db2.gz NTZUKTJTEVBPLT-TXEJJXNPSA-N 1 1 355.822 2.477 20 5 FEBDMO COc1cc(C(=O)N2CCC[N@H+](C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000068780761 541627285 /nfs/dbraw/zinc/62/72/85/541627285.db2.gz CDCCPMFBJIEZOT-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000069033508 541649973 /nfs/dbraw/zinc/64/99/73/541649973.db2.gz UVCXNBAAIBCHBZ-QZTJIDSGSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2CN2CCCCC2)c1 ZINC000069033508 541649977 /nfs/dbraw/zinc/64/99/77/541649977.db2.gz UVCXNBAAIBCHBZ-QZTJIDSGSA-N 1 1 363.458 2.285 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069469438 541688126 /nfs/dbraw/zinc/68/81/26/541688126.db2.gz XXPSNTLPOYBOOR-UHFFFAOYSA-N 1 1 350.419 2.099 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069971602 541728680 /nfs/dbraw/zinc/72/86/80/541728680.db2.gz MMGYGUBXHDMIBF-ZDUSSCGKSA-N 1 1 367.833 2.433 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072855591 541882195 /nfs/dbraw/zinc/88/21/95/541882195.db2.gz XYLPXUDPGQOQGY-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000075639628 542195166 /nfs/dbraw/zinc/19/51/66/542195166.db2.gz SFTFMOXJQMSUKI-UHFFFAOYSA-N 1 1 355.460 2.336 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000075641217 542195284 /nfs/dbraw/zinc/19/52/84/542195284.db2.gz AFNILJCURUDGKD-INIZCTEOSA-N 1 1 350.806 2.470 20 5 FEBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075721864 542201749 /nfs/dbraw/zinc/20/17/49/542201749.db2.gz UWHNJXJAIKOOTA-NONVJHHQSA-N 1 1 360.414 2.003 20 5 FEBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075721864 542201753 /nfs/dbraw/zinc/20/17/53/542201753.db2.gz UWHNJXJAIKOOTA-NONVJHHQSA-N 1 1 360.414 2.003 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000076639675 542304061 /nfs/dbraw/zinc/30/40/61/542304061.db2.gz VSQHQVJORWHPFX-HNNXBMFYSA-N 1 1 374.441 2.222 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000076660760 542308816 /nfs/dbraw/zinc/30/88/16/542308816.db2.gz BRHIOSZLPNAMQT-AWEZNQCLSA-N 1 1 362.430 2.032 20 5 FEBDMO CC(C)C[N@H+]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000077363317 542372894 /nfs/dbraw/zinc/37/28/94/542372894.db2.gz VBDZHCPNVVJWHQ-GOSISDBHSA-N 1 1 360.458 2.364 20 5 FEBDMO O=c1c2ccc([N+](=O)[O-])cc2ncn1Cc1[nH+]ccn1CC(F)(F)F ZINC000077564503 542397931 /nfs/dbraw/zinc/39/79/31/542397931.db2.gz NHUDJWGPTNALNF-UHFFFAOYSA-N 1 1 353.260 2.112 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000080636173 542598990 /nfs/dbraw/zinc/59/89/90/542598990.db2.gz HIOCVOHCBIZTFT-UHFFFAOYSA-N 1 1 360.458 2.284 20 5 FEBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000802134110 674162732 /nfs/dbraw/zinc/16/27/32/674162732.db2.gz FBYZVMIXLYRQJO-JSGCOSHPSA-N 1 1 354.378 2.490 20 5 FEBDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552114 542785839 /nfs/dbraw/zinc/78/58/39/542785839.db2.gz UJCQTDWPEXOUGM-MRXNPFEDSA-N 1 1 356.426 2.487 20 5 FEBDMO CCOc1cc(NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000092641111 542876924 /nfs/dbraw/zinc/87/69/24/542876924.db2.gz AEYAWBAULAAPDZ-INIZCTEOSA-N 1 1 364.446 2.348 20 5 FEBDMO Cc1cc(C)n2c(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc2n1 ZINC000093534438 542933891 /nfs/dbraw/zinc/93/38/91/542933891.db2.gz FUVDZHHDTJIYOE-CQSZACIVSA-N 1 1 367.413 2.336 20 5 FEBDMO Cc1cc(C)n2c(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cnc2n1 ZINC000093534438 542933895 /nfs/dbraw/zinc/93/38/95/542933895.db2.gz FUVDZHHDTJIYOE-CQSZACIVSA-N 1 1 367.413 2.336 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000104652222 543136393 /nfs/dbraw/zinc/13/63/93/543136393.db2.gz MUZSSPNZBOJYNN-UHFFFAOYSA-N 1 1 371.441 2.373 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000104652222 543136394 /nfs/dbraw/zinc/13/63/94/543136394.db2.gz MUZSSPNZBOJYNN-UHFFFAOYSA-N 1 1 371.441 2.373 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000106086460 543193114 /nfs/dbraw/zinc/19/31/14/543193114.db2.gz ISQNBSAFQNPOEL-MRXNPFEDSA-N 1 1 357.414 2.364 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106891786 543252839 /nfs/dbraw/zinc/25/28/39/543252839.db2.gz SJWMLUDOTBOZOG-ZDUSSCGKSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(C4OCCO4)CC3)n2)c1 ZINC000110076338 543348373 /nfs/dbraw/zinc/34/83/73/543348373.db2.gz HHGPBZFRKMYTOC-UHFFFAOYSA-N 1 1 360.370 2.230 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000110223627 543352182 /nfs/dbraw/zinc/35/21/82/543352182.db2.gz HBIYGGXEHLKGOO-OAHLLOKOSA-N 1 1 363.462 2.403 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111635853 543410122 /nfs/dbraw/zinc/41/01/22/543410122.db2.gz FXXDQXUAMKRADW-CYBMUJFWSA-N 1 1 358.398 2.041 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](CC(N)=O)Cc1ccccc1 ZINC000112350845 543442486 /nfs/dbraw/zinc/44/24/86/543442486.db2.gz BTJWVSGDCXXTME-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000112350845 543442489 /nfs/dbraw/zinc/44/24/89/543442489.db2.gz BTJWVSGDCXXTME-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000114352279 543510756 /nfs/dbraw/zinc/51/07/56/543510756.db2.gz NRVSYERBKBLAQA-UHFFFAOYSA-N 1 1 350.375 2.369 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000115586067 543576344 /nfs/dbraw/zinc/57/63/44/543576344.db2.gz NTOMMVDPKJQOCE-LLVKDONJSA-N 1 1 361.851 2.211 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000128961037 544083158 /nfs/dbraw/zinc/08/31/58/544083158.db2.gz FMPIHDANDLYETA-OLZOCXBDSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000128961037 544083160 /nfs/dbraw/zinc/08/31/60/544083160.db2.gz FMPIHDANDLYETA-OLZOCXBDSA-N 1 1 353.806 2.231 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000129740020 544125390 /nfs/dbraw/zinc/12/53/90/544125390.db2.gz ITQYTCGPSDFWTH-UHFFFAOYSA-N 1 1 368.397 2.496 20 5 FEBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247500501 549344787 /nfs/dbraw/zinc/34/47/87/549344787.db2.gz UZQVSKWECJMDOV-YPMHNXCESA-N 1 1 352.822 2.355 20 5 FEBDMO C[C@@H]1CN(C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@H](C)O1 ZINC000130209300 544143191 /nfs/dbraw/zinc/14/31/91/544143191.db2.gz YKESPKQWEQEJHH-KHYOSLBOSA-N 1 1 363.458 2.029 20 5 FEBDMO CC1CC[NH+](Cc2cccc(CNC(=O)c3n[nH]cc3[N+](=O)[O-])c2)CC1 ZINC000130606289 544157889 /nfs/dbraw/zinc/15/78/89/544157889.db2.gz BJTZRNYNOHDQKW-UHFFFAOYSA-N 1 1 357.414 2.480 20 5 FEBDMO COc1ccc(OC)c(C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)c1 ZINC000130964903 544172650 /nfs/dbraw/zinc/17/26/50/544172650.db2.gz RAVHDQUVSYABSZ-UHFFFAOYSA-N 1 1 373.409 2.438 20 5 FEBDMO COc1ccc(OC)c(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)c1 ZINC000130964903 544172651 /nfs/dbraw/zinc/17/26/51/544172651.db2.gz RAVHDQUVSYABSZ-UHFFFAOYSA-N 1 1 373.409 2.438 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000133030381 544253120 /nfs/dbraw/zinc/25/31/20/544253120.db2.gz BFSAPRWYPLPNFN-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1cc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)ncc1[N+](=O)[O-] ZINC000135452709 544347297 /nfs/dbraw/zinc/34/72/97/544347297.db2.gz UOZSFOKNSMNVHS-UHFFFAOYSA-N 1 1 371.441 2.422 20 5 FEBDMO CC[C@]1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000135673286 544358824 /nfs/dbraw/zinc/35/88/24/544358824.db2.gz KWCPDQIVOKCIKP-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000152660487 544680705 /nfs/dbraw/zinc/68/07/05/544680705.db2.gz LFXVQSVRQODYQA-OAHLLOKOSA-N 1 1 350.463 2.282 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000152988224 544719324 /nfs/dbraw/zinc/71/93/24/544719324.db2.gz BNSYYIUXFWDRIL-QWHCGFSZSA-N 1 1 355.398 2.136 20 5 FEBDMO O=C1NC2(CCCC2)C(=O)N1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153278931 544756173 /nfs/dbraw/zinc/75/61/73/544756173.db2.gz OCXCKXSSCZZEAA-UHFFFAOYSA-N 1 1 372.425 2.424 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000153294597 544757226 /nfs/dbraw/zinc/75/72/26/544757226.db2.gz DAPQQWSLORXHGD-STQMWFEESA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000153590793 544795235 /nfs/dbraw/zinc/79/52/35/544795235.db2.gz OQCVMDJGAVKLFK-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000154054263 544859024 /nfs/dbraw/zinc/85/90/24/544859024.db2.gz BOGVEPZEMSYKBU-MRXNPFEDSA-N 1 1 363.414 2.184 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc([N+](=O)[O-])c1 ZINC000154054263 544859027 /nfs/dbraw/zinc/85/90/27/544859027.db2.gz BOGVEPZEMSYKBU-MRXNPFEDSA-N 1 1 363.414 2.184 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000155107832 544990883 /nfs/dbraw/zinc/99/08/83/544990883.db2.gz MZWRMTJLLYXEAH-UHFFFAOYSA-N 1 1 368.821 2.131 20 5 FEBDMO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000155087602 544987314 /nfs/dbraw/zinc/98/73/14/544987314.db2.gz DRGMVYGFNQVMOF-OCCSQVGLSA-N 1 1 363.414 2.168 20 5 FEBDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000553580139 674272987 /nfs/dbraw/zinc/27/29/87/674272987.db2.gz GMFHYHOQOLLXJJ-INIZCTEOSA-N 1 1 367.402 2.315 20 5 FEBDMO CN(C[C@@H](O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000818165366 675200434 /nfs/dbraw/zinc/20/04/34/675200434.db2.gz GWWJLYTXDJDPPX-HNNXBMFYSA-N 1 1 353.419 2.254 20 5 FEBDMO COc1cccc(-c2noc([C@@H](C)[NH2+]CCn3ccc([N+](=O)[O-])n3)n2)c1 ZINC000185114162 327900431 /nfs/dbraw/zinc/90/04/31/327900431.db2.gz RCZZCJMQQRGABZ-LLVKDONJSA-N 1 1 358.358 2.201 20 5 FEBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000187318759 328016235 /nfs/dbraw/zinc/01/62/35/328016235.db2.gz WVGQNUPVILTRLG-INIZCTEOSA-N 1 1 359.430 2.064 20 5 FEBDMO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000193662437 328388326 /nfs/dbraw/zinc/38/83/26/328388326.db2.gz OCIHYASWQQLGPA-MRXNPFEDSA-N 1 1 370.409 2.432 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CCO1 ZINC000193772389 328394566 /nfs/dbraw/zinc/39/45/66/328394566.db2.gz XEAULKFTNPWRTG-ZDUSSCGKSA-N 1 1 364.402 2.188 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000081571890 325185597 /nfs/dbraw/zinc/18/55/97/325185597.db2.gz WFYYHQBAPCFJFF-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO COc1cc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000085456483 325255425 /nfs/dbraw/zinc/25/54/25/325255425.db2.gz VHTDLWDZRJHRKB-OKILXGFUSA-N 1 1 365.430 2.223 20 5 FEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000087316823 325279373 /nfs/dbraw/zinc/27/93/73/325279373.db2.gz WXGVOWWITZQTNM-SFHVURJKSA-N 1 1 361.442 2.241 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089152378 325304462 /nfs/dbraw/zinc/30/44/62/325304462.db2.gz VNLSDYHXVGSHIY-DLBZAZTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089152378 325304464 /nfs/dbraw/zinc/30/44/64/325304464.db2.gz VNLSDYHXVGSHIY-DLBZAZTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000089154418 325305307 /nfs/dbraw/zinc/30/53/07/325305307.db2.gz NINWKMUSUKMGOZ-DLBZAZTESA-N 1 1 363.414 2.112 20 5 FEBDMO COCCCOCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000091102129 325374713 /nfs/dbraw/zinc/37/47/13/325374713.db2.gz HQQJCLDSSKCRRI-CQSZACIVSA-N 1 1 353.419 2.215 20 5 FEBDMO COCCCOCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000091102129 325374715 /nfs/dbraw/zinc/37/47/15/325374715.db2.gz HQQJCLDSSKCRRI-CQSZACIVSA-N 1 1 353.419 2.215 20 5 FEBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1csc([N+](=O)[O-])c1 ZINC000117735167 326068439 /nfs/dbraw/zinc/06/84/39/326068439.db2.gz ZLVYXROQWNFMNS-UHFFFAOYSA-N 1 1 361.423 2.419 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000119321654 326149480 /nfs/dbraw/zinc/14/94/80/326149480.db2.gz WFBYTULHKCGMCY-ZDUSSCGKSA-N 1 1 372.425 2.144 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000119597541 326178738 /nfs/dbraw/zinc/17/87/38/326178738.db2.gz CHZGWCLVNVELTR-OAHLLOKOSA-N 1 1 371.441 2.488 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCCN(C(=O)C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000121485728 326342088 /nfs/dbraw/zinc/34/20/88/326342088.db2.gz YBKXGRTUKJTJSS-UHFFFAOYSA-N 1 1 374.441 2.176 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000122443090 326397165 /nfs/dbraw/zinc/39/71/65/326397165.db2.gz INNSLAKYICPIRK-GDBMZVCRSA-N 1 1 367.471 2.316 20 5 FEBDMO CC(C)C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000126226636 326485474 /nfs/dbraw/zinc/48/54/74/326485474.db2.gz IRJOYTBBEYMQKS-MRXNPFEDSA-N 1 1 367.421 2.140 20 5 FEBDMO O=c1[nH]cnc2cc(N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000161936079 327012877 /nfs/dbraw/zinc/01/28/77/327012877.db2.gz SVPORBXAIBOZTG-WBMJQRKESA-N 1 1 369.425 2.284 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000163653142 327056230 /nfs/dbraw/zinc/05/62/30/327056230.db2.gz AQDWTKOCCOWHMC-AWEZNQCLSA-N 1 1 351.451 2.011 20 5 FEBDMO Cc1c(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000164140203 327065231 /nfs/dbraw/zinc/06/52/31/327065231.db2.gz CFYAMMMPWUHJFW-SWLSCSKDSA-N 1 1 362.386 2.368 20 5 FEBDMO CCc1n[nH]c(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171398244 327137075 /nfs/dbraw/zinc/13/70/75/327137075.db2.gz AMTFJWAIPQGOEQ-UHFFFAOYSA-N 1 1 357.414 2.228 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171398244 327137076 /nfs/dbraw/zinc/13/70/76/327137076.db2.gz AMTFJWAIPQGOEQ-UHFFFAOYSA-N 1 1 357.414 2.228 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000171398244 327137077 /nfs/dbraw/zinc/13/70/77/327137077.db2.gz AMTFJWAIPQGOEQ-UHFFFAOYSA-N 1 1 357.414 2.228 20 5 FEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000171461091 327141057 /nfs/dbraw/zinc/14/10/57/327141057.db2.gz WGECKBJNTDKENK-IBGZPJMESA-N 1 1 369.421 2.409 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000171620024 327148670 /nfs/dbraw/zinc/14/86/70/327148670.db2.gz ZBINQPFSSZRDOG-AWEZNQCLSA-N 1 1 357.414 2.391 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000172833514 327221479 /nfs/dbraw/zinc/22/14/79/327221479.db2.gz XPZBPSUIODVGEI-OAHLLOKOSA-N 1 1 372.429 2.122 20 5 FEBDMO COc1cc(OCC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000172836054 327221683 /nfs/dbraw/zinc/22/16/83/327221683.db2.gz PEJQRXXYTWJBLH-AWEZNQCLSA-N 1 1 365.430 2.315 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173238442 327243293 /nfs/dbraw/zinc/24/32/93/327243293.db2.gz IWENRHNRMHNGFS-PWSUYJOCSA-N 1 1 361.851 2.209 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000173248908 327244020 /nfs/dbraw/zinc/24/40/20/327244020.db2.gz SDHFRMUZMVPBTJ-RKVPGOIHSA-N 1 1 361.442 2.238 20 5 FEBDMO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000173272561 327245598 /nfs/dbraw/zinc/24/55/98/327245598.db2.gz QCDWLSLJCZGTEW-KRWDZBQOSA-N 1 1 360.458 2.145 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173827604 327287216 /nfs/dbraw/zinc/28/72/16/327287216.db2.gz POTRJMKWTZFGRQ-QWHCGFSZSA-N 1 1 373.862 2.496 20 5 FEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000173937555 327295721 /nfs/dbraw/zinc/29/57/21/327295721.db2.gz XZSLSTLYXHEDMG-JQHSSLGASA-N 1 1 363.458 2.282 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000174023384 327302168 /nfs/dbraw/zinc/30/21/68/327302168.db2.gz MVDGDLDVNBORDL-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO CCOc1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c([N+](=O)[O-])cc1OC ZINC000174508577 327331583 /nfs/dbraw/zinc/33/15/83/327331583.db2.gz MIMSOWCFGSZXAH-ZDUSSCGKSA-N 1 1 365.430 2.416 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000174695109 327344195 /nfs/dbraw/zinc/34/41/95/327344195.db2.gz KNWMWSZZDYVBCV-OLZOCXBDSA-N 1 1 363.414 2.311 20 5 FEBDMO CN1CCN([C@H]2CCCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174875446 327356922 /nfs/dbraw/zinc/35/69/22/327356922.db2.gz PSADJZOEOWOLQU-KRWDZBQOSA-N 1 1 362.474 2.076 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000175004351 327367192 /nfs/dbraw/zinc/36/71/92/327367192.db2.gz YVARICPIZZZAMI-HUUCEWRRSA-N 1 1 361.398 2.080 20 5 FEBDMO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000175313481 327386433 /nfs/dbraw/zinc/38/64/33/327386433.db2.gz QICJSXOTGBORHQ-UHFFFAOYSA-N 1 1 353.444 2.234 20 5 FEBDMO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000175313481 327386434 /nfs/dbraw/zinc/38/64/34/327386434.db2.gz QICJSXOTGBORHQ-UHFFFAOYSA-N 1 1 353.444 2.234 20 5 FEBDMO COCC[N@H+]1CC[C@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000265736754 329155200 /nfs/dbraw/zinc/15/52/00/329155200.db2.gz LZYZTHLLHWHLAI-INIZCTEOSA-N 1 1 364.446 2.236 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000266947833 329275738 /nfs/dbraw/zinc/27/57/38/329275738.db2.gz SJRJMNOIEUOWOB-UHFFFAOYSA-N 1 1 357.414 2.028 20 5 FEBDMO CC[C@H](NC(=O)NCC[N@@H+](C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000267353847 329318035 /nfs/dbraw/zinc/31/80/35/329318035.db2.gz IGXRJCPLAWYKFK-INIZCTEOSA-N 1 1 352.435 2.313 20 5 FEBDMO Cc1c(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156085 329391377 /nfs/dbraw/zinc/39/13/77/329391377.db2.gz HDOIUUDXJNCSJY-LKFCYVNXSA-N 1 1 362.386 2.332 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(CCC(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000271153951 329667472 /nfs/dbraw/zinc/66/74/72/329667472.db2.gz IXVKJXSVLNBCHH-ZDUSSCGKSA-N 1 1 362.430 2.208 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271782428 329724658 /nfs/dbraw/zinc/72/46/58/329724658.db2.gz ZMWHSHIMPTVFHJ-HNNXBMFYSA-N 1 1 364.446 2.408 20 5 FEBDMO COc1ccc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000275135854 330014064 /nfs/dbraw/zinc/01/40/64/330014064.db2.gz SXHQJMIMJVKMNG-NSHDSACASA-N 1 1 361.320 2.104 20 5 FEBDMO COCCC[N@H+](CCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000275435215 330048422 /nfs/dbraw/zinc/04/84/22/330048422.db2.gz JMWJJMKABBCNJB-UHFFFAOYSA-N 1 1 364.345 2.036 20 5 FEBDMO COCCC[N@@H+](CCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000275435215 330048425 /nfs/dbraw/zinc/04/84/25/330048425.db2.gz JMWJJMKABBCNJB-UHFFFAOYSA-N 1 1 364.345 2.036 20 5 FEBDMO CCc1ccc([C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])nc3C)CC[NH2+]2)cc1 ZINC000367072973 330213771 /nfs/dbraw/zinc/21/37/71/330213771.db2.gz QHBOYOKPSIOKGK-QGZVFWFLSA-N 1 1 371.441 2.225 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367169566 330225228 /nfs/dbraw/zinc/22/52/28/330225228.db2.gz ARMZJUHIYPFJPK-NWDGAFQWSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367169566 330225229 /nfs/dbraw/zinc/22/52/29/330225229.db2.gz ARMZJUHIYPFJPK-NWDGAFQWSA-N 1 1 353.806 2.231 20 5 FEBDMO CC(=O)c1ccc(N2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000367199955 330229197 /nfs/dbraw/zinc/22/91/97/330229197.db2.gz FOEQURCXUXNGAB-WMLDXEAASA-N 1 1 360.458 2.260 20 5 FEBDMO O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375786742 330251462 /nfs/dbraw/zinc/25/14/62/330251462.db2.gz FKYDSGAAOKOQLG-RDJZCZTQSA-N 1 1 363.414 2.464 20 5 FEBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1c[nH]nc1[N+](=O)[O-] ZINC000554835306 674338227 /nfs/dbraw/zinc/33/82/27/674338227.db2.gz HQBNAPQHTRILIH-UHFFFAOYSA-N 1 1 350.404 2.403 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1CCOCC1 ZINC000155721291 545561195 /nfs/dbraw/zinc/56/11/95/545561195.db2.gz JDASTZRTJNKBGT-UHFFFAOYSA-N 1 1 351.403 2.290 20 5 FEBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000156712621 545651035 /nfs/dbraw/zinc/65/10/35/545651035.db2.gz UQSYGRRKDNGSOF-HNNXBMFYSA-N 1 1 362.430 2.032 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000158645325 545880599 /nfs/dbraw/zinc/88/05/99/545880599.db2.gz GVBLFINALIKIEX-CQSZACIVSA-N 1 1 367.471 2.373 20 5 FEBDMO COc1ccc(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1[N+](=O)[O-] ZINC000159141964 545924916 /nfs/dbraw/zinc/92/49/16/545924916.db2.gz DEZAECLSNKSXRU-KRWDZBQOSA-N 1 1 360.414 2.283 20 5 FEBDMO C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1Cc1ccccc1 ZINC000159862563 545987087 /nfs/dbraw/zinc/98/70/87/545987087.db2.gz JXDPAWYSLFKORQ-KRWDZBQOSA-N 1 1 370.453 2.353 20 5 FEBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159862010 545987341 /nfs/dbraw/zinc/98/73/41/545987341.db2.gz XCBYQZXNUDNCKN-GOSISDBHSA-N 1 1 370.453 2.210 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176816240 546492876 /nfs/dbraw/zinc/49/28/76/546492876.db2.gz DUFCNZMJHLCCBR-TZMCWYRMSA-N 1 1 357.414 2.273 20 5 FEBDMO C[N@@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccc(F)cc1 ZINC000177046532 546530445 /nfs/dbraw/zinc/53/04/45/546530445.db2.gz JBRPSTAQSQGTDS-UHFFFAOYSA-N 1 1 371.372 2.472 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000177769285 546683238 /nfs/dbraw/zinc/68/32/38/546683238.db2.gz GNNYNJYMMUDOMZ-WBVHZDCISA-N 1 1 369.425 2.479 20 5 FEBDMO Cc1c(CNC(=O)C2CC[NH+](Cc3nccn3C)CC2)cccc1[N+](=O)[O-] ZINC000481466233 561233406 /nfs/dbraw/zinc/23/34/06/561233406.db2.gz MLBVWWRCKNAOSN-UHFFFAOYSA-N 1 1 371.441 2.165 20 5 FEBDMO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000178944525 546877485 /nfs/dbraw/zinc/87/74/85/546877485.db2.gz ZRBQSYSJSDZYCU-GJZGRUSLSA-N 1 1 369.487 2.177 20 5 FEBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000481851038 561244036 /nfs/dbraw/zinc/24/40/36/561244036.db2.gz HQKWWQVCLZIASO-DOTOQJQBSA-N 1 1 354.410 2.221 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000179755317 547008869 /nfs/dbraw/zinc/00/88/69/547008869.db2.gz IXQKOHCKHPLZBZ-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180094398 547051393 /nfs/dbraw/zinc/05/13/93/547051393.db2.gz SYXFJHQFOPYCNV-LLVKDONJSA-N 1 1 365.411 2.102 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCCn1ccnc1 ZINC000181114078 547252245 /nfs/dbraw/zinc/25/22/45/547252245.db2.gz PHRATWVADIREPI-UHFFFAOYSA-N 1 1 361.402 2.151 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181467592 547320133 /nfs/dbraw/zinc/32/01/33/547320133.db2.gz WSLFTSLSSMKDSQ-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181467592 547320137 /nfs/dbraw/zinc/32/01/37/547320137.db2.gz WSLFTSLSSMKDSQ-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO C[N@@H+](CCOc1ccccc1F)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190753 547450650 /nfs/dbraw/zinc/45/06/50/547450650.db2.gz FRFHGGTZEQIIEA-AWEZNQCLSA-N 1 1 364.373 2.484 20 5 FEBDMO COc1cccc2c1CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000182512249 547506486 /nfs/dbraw/zinc/50/64/86/547506486.db2.gz ROCUGKYAIISWTP-HNNXBMFYSA-N 1 1 358.394 2.401 20 5 FEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182717831 547540222 /nfs/dbraw/zinc/54/02/22/547540222.db2.gz YPDYVDJQGTVFND-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO CC[N@@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000183934567 547740986 /nfs/dbraw/zinc/74/09/86/547740986.db2.gz XZEVNFGYAMAUJS-UHFFFAOYSA-N 1 1 373.409 2.431 20 5 FEBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000184249533 547793647 /nfs/dbraw/zinc/79/36/47/547793647.db2.gz PUFHEWKAEJRXJD-UHFFFAOYSA-N 1 1 369.487 2.478 20 5 FEBDMO COc1cc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)c([N+](=O)[O-])cc1F ZINC000184250518 547795031 /nfs/dbraw/zinc/79/50/31/547795031.db2.gz UTCBQRSRXZZNKH-CYBMUJFWSA-N 1 1 367.421 2.428 20 5 FEBDMO CCOC(=O)c1cc(N[C@@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000184827210 547884215 /nfs/dbraw/zinc/88/42/15/547884215.db2.gz BZSSOYKSENUFJU-AWEZNQCLSA-N 1 1 364.446 2.209 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000184913782 547899410 /nfs/dbraw/zinc/89/94/10/547899410.db2.gz OQMCGUCTGBTBCI-IINYFYTJSA-N 1 1 359.423 2.003 20 5 FEBDMO CC[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000184921766 547901692 /nfs/dbraw/zinc/90/16/92/547901692.db2.gz VHANRDYZNPPOFQ-QGZVFWFLSA-N 1 1 371.441 2.304 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184982313 547912094 /nfs/dbraw/zinc/91/20/94/547912094.db2.gz FRPHTFZRIOAMSF-CYBMUJFWSA-N 1 1 373.450 2.395 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000185979344 548068195 /nfs/dbraw/zinc/06/81/95/548068195.db2.gz SRSKNFHPHADHTF-AWEZNQCLSA-N 1 1 355.460 2.241 20 5 FEBDMO O=C(C[N@@H+](CCO)CC1CCCCC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000485860132 561330067 /nfs/dbraw/zinc/33/00/67/561330067.db2.gz RZRUXOMMVFNVJL-UHFFFAOYSA-N 1 1 361.442 2.359 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186668237 548170272 /nfs/dbraw/zinc/17/02/72/548170272.db2.gz LNEKNUUMLQBARY-OXJNMPFZSA-N 1 1 370.405 2.466 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000228099267 548753415 /nfs/dbraw/zinc/75/34/15/548753415.db2.gz ASHZNBBONXTNDQ-CQSZACIVSA-N 1 1 356.220 2.315 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000228099267 548753419 /nfs/dbraw/zinc/75/34/19/548753419.db2.gz ASHZNBBONXTNDQ-CQSZACIVSA-N 1 1 356.220 2.315 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245441632 548921486 /nfs/dbraw/zinc/92/14/86/548921486.db2.gz VOUIMRSBPQMIER-QAPCUYQASA-N 1 1 360.458 2.364 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245560601 548946720 /nfs/dbraw/zinc/94/67/20/548946720.db2.gz WSLFTSLSSMKDSQ-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245560601 548946723 /nfs/dbraw/zinc/94/67/23/548946723.db2.gz WSLFTSLSSMKDSQ-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1n1ccnc1 ZINC000245602198 548955999 /nfs/dbraw/zinc/95/59/99/548955999.db2.gz MOETYOGWRVILBU-JLSDUUJJSA-N 1 1 369.425 2.480 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488053177 561382454 /nfs/dbraw/zinc/38/24/54/561382454.db2.gz DCQKOZGTLIYPOU-OAHLLOKOSA-N 1 1 357.458 2.250 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000246065355 549044819 /nfs/dbraw/zinc/04/48/19/549044819.db2.gz DPTKRTHNMONDTQ-ZFWWWQNUSA-N 1 1 355.460 2.254 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247170875 549293984 /nfs/dbraw/zinc/29/39/84/549293984.db2.gz ASZBMNZFCDRGQW-UKRRQHHQSA-N 1 1 357.414 2.193 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)c2[n-]ncc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000247816512 549384037 /nfs/dbraw/zinc/38/40/37/549384037.db2.gz WUUBUKJNOCODHP-BXUZGUMPSA-N 1 1 367.768 2.286 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2[n-]ncc2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000247816512 549384041 /nfs/dbraw/zinc/38/40/41/549384041.db2.gz WUUBUKJNOCODHP-BXUZGUMPSA-N 1 1 367.768 2.286 20 5 FEBDMO COC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000249137290 549559637 /nfs/dbraw/zinc/55/96/37/549559637.db2.gz FCEMYFFFAJESJU-GUYCJALGSA-N 1 1 360.414 2.231 20 5 FEBDMO COC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000249137290 549559641 /nfs/dbraw/zinc/55/96/41/549559641.db2.gz FCEMYFFFAJESJU-GUYCJALGSA-N 1 1 360.414 2.231 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000249188954 549567237 /nfs/dbraw/zinc/56/72/37/549567237.db2.gz OWCQQJWPRGSMBM-GJZGRUSLSA-N 1 1 369.487 2.177 20 5 FEBDMO COc1cc(OCC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000250150572 549638181 /nfs/dbraw/zinc/63/81/81/549638181.db2.gz WWCBLXYEEOCTCZ-KGLIPLIRSA-N 1 1 365.430 2.219 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000250423612 549641720 /nfs/dbraw/zinc/64/17/20/549641720.db2.gz DPUOEPBZTUDNQW-ZIAGYGMSSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000250423612 549641723 /nfs/dbraw/zinc/64/17/23/549641723.db2.gz DPUOEPBZTUDNQW-ZIAGYGMSSA-N 1 1 362.430 2.160 20 5 FEBDMO COc1cc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)ccc1[N+](=O)[O-] ZINC000490093122 561426437 /nfs/dbraw/zinc/42/64/37/561426437.db2.gz XEQMQPNZHRWXIK-UHFFFAOYSA-N 1 1 363.443 2.476 20 5 FEBDMO COc1cc(C[N@H+]2CCCN(c3nc(C)ns3)CC2)ccc1[N+](=O)[O-] ZINC000490093122 561426438 /nfs/dbraw/zinc/42/64/38/561426438.db2.gz XEQMQPNZHRWXIK-UHFFFAOYSA-N 1 1 363.443 2.476 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1OC ZINC000490302109 561430516 /nfs/dbraw/zinc/43/05/16/561430516.db2.gz RXZNYQJVIMLHNW-OAHLLOKOSA-N 1 1 365.430 2.414 20 5 FEBDMO C[C@H](c1cccc(Nc2ncc([N+](=O)[O-])cc2C(N)=O)c1)[NH+]1CCOCC1 ZINC000264068682 549974935 /nfs/dbraw/zinc/97/49/35/549974935.db2.gz FZRQJYILQCXYGQ-GFCCVEGCSA-N 1 1 371.397 2.226 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000266107268 550017468 /nfs/dbraw/zinc/01/74/68/550017468.db2.gz LVOHGQRQNYMRSV-MRXNPFEDSA-N 1 1 373.413 2.163 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000266107268 550017471 /nfs/dbraw/zinc/01/74/71/550017471.db2.gz LVOHGQRQNYMRSV-MRXNPFEDSA-N 1 1 373.413 2.163 20 5 FEBDMO C[C@@]1(C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000493391751 561455892 /nfs/dbraw/zinc/45/58/92/561455892.db2.gz WTIXDMLTYCMRTP-INIZCTEOSA-N 1 1 366.805 2.058 20 5 FEBDMO COc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000271318276 550363977 /nfs/dbraw/zinc/36/39/77/550363977.db2.gz YETYCMWSYWWOQR-MLGOLLRUSA-N 1 1 354.428 2.318 20 5 FEBDMO COc1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000271318276 550363980 /nfs/dbraw/zinc/36/39/80/550363980.db2.gz YETYCMWSYWWOQR-MLGOLLRUSA-N 1 1 354.428 2.318 20 5 FEBDMO COc1cc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000271318271 550364041 /nfs/dbraw/zinc/36/40/41/550364041.db2.gz YETYCMWSYWWOQR-BLLLJJGKSA-N 1 1 354.428 2.318 20 5 FEBDMO COc1cc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000271318271 550364043 /nfs/dbraw/zinc/36/40/43/550364043.db2.gz YETYCMWSYWWOQR-BLLLJJGKSA-N 1 1 354.428 2.318 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272274187 550433188 /nfs/dbraw/zinc/43/31/88/550433188.db2.gz LXDWCIXITUTVBB-WFASDCNBSA-N 1 1 357.414 2.267 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272328714 550438131 /nfs/dbraw/zinc/43/81/31/550438131.db2.gz LAHOKGBJXDGEJT-GWCFXTLKSA-N 1 1 361.427 2.156 20 5 FEBDMO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000272452595 550449509 /nfs/dbraw/zinc/44/95/09/550449509.db2.gz MVWFHBZIGSFDNB-LSDHHAIUSA-N 1 1 362.430 2.229 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000273362426 550495556 /nfs/dbraw/zinc/49/55/56/550495556.db2.gz QTGZKXZEPQOZMG-IRXDYDNUSA-N 1 1 360.410 2.390 20 5 FEBDMO COc1cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])ccc1O ZINC000273407425 550497329 /nfs/dbraw/zinc/49/73/29/550497329.db2.gz XDWZOHDFJIBHSN-CQSZACIVSA-N 1 1 362.382 2.181 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000278494097 550792228 /nfs/dbraw/zinc/79/22/28/550792228.db2.gz MNXGWTHIWUZFCQ-LQYUOIDQSA-N 1 1 359.426 2.320 20 5 FEBDMO COc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000278850374 550828871 /nfs/dbraw/zinc/82/88/71/550828871.db2.gz SMORQRKLIMAALE-GFCCVEGCSA-N 1 1 353.394 2.432 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000279048586 550850753 /nfs/dbraw/zinc/85/07/53/550850753.db2.gz AYFQCPDTLKFTMJ-UHFFFAOYSA-N 1 1 361.801 2.014 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000279107600 550854803 /nfs/dbraw/zinc/85/48/03/550854803.db2.gz BMLPXJHCNWBXRF-WFASDCNBSA-N 1 1 364.421 2.356 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[N@H+]1C1CC1 ZINC000279367794 550882213 /nfs/dbraw/zinc/88/22/13/550882213.db2.gz GQNPVIXWTSRQPC-QWRGUYRKSA-N 1 1 350.394 2.155 20 5 FEBDMO C[C@H](CN1CCOCC1)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000279664804 550914231 /nfs/dbraw/zinc/91/42/31/550914231.db2.gz DGBMRAHWCUMUBF-OAHLLOKOSA-N 1 1 374.441 2.445 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279835496 550934139 /nfs/dbraw/zinc/93/41/39/550934139.db2.gz ZZXQBWBDLPCIMG-UHFFFAOYSA-N 1 1 365.430 2.004 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000279835496 550934140 /nfs/dbraw/zinc/93/41/40/550934140.db2.gz ZZXQBWBDLPCIMG-UHFFFAOYSA-N 1 1 365.430 2.004 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000497410467 561500373 /nfs/dbraw/zinc/50/03/73/561500373.db2.gz HGRZOOAQUXZFJR-ZIAGYGMSSA-N 1 1 357.414 2.269 20 5 FEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000282716814 551262919 /nfs/dbraw/zinc/26/29/19/551262919.db2.gz LTQNNJFJLLLSMQ-PIGZYNQJSA-N 1 1 360.370 2.276 20 5 FEBDMO COC(=O)CC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000497726857 561507185 /nfs/dbraw/zinc/50/71/85/561507185.db2.gz GFZAHQATYIBPQL-UHFFFAOYSA-N 1 1 350.371 2.236 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](c2ccccc2)C1 ZINC000497801936 561509225 /nfs/dbraw/zinc/50/92/25/561509225.db2.gz DZUDCVXMJGIVTM-WBVHZDCISA-N 1 1 365.393 2.299 20 5 FEBDMO Cc1cc(F)c(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000283672144 551406817 /nfs/dbraw/zinc/40/68/17/551406817.db2.gz DZPNWFKSWTYHBS-GFCCVEGCSA-N 1 1 367.425 2.047 20 5 FEBDMO CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000498018564 561513920 /nfs/dbraw/zinc/51/39/20/561513920.db2.gz GPSBYKQYKQVAHE-NVXWUHKLSA-N 1 1 371.441 2.475 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000284100086 551483596 /nfs/dbraw/zinc/48/35/96/551483596.db2.gz SFYOCKVSJMMPHN-SNVBAGLBSA-N 1 1 356.220 2.347 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498227587 561519401 /nfs/dbraw/zinc/51/94/01/561519401.db2.gz LBQWSPQGOPSQMG-CHWSQXEVSA-N 1 1 350.419 2.228 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000498569002 561528854 /nfs/dbraw/zinc/52/88/54/561528854.db2.gz DUERDCSUDLRRDR-UONOGXRCSA-N 1 1 357.414 2.335 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285319295 551737303 /nfs/dbraw/zinc/73/73/03/551737303.db2.gz RDMKOXGZWQUQPF-TVKHYIBRSA-N 1 1 365.817 2.193 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285330849 551739499 /nfs/dbraw/zinc/73/94/99/551739499.db2.gz SEVCTGAXZSJFPN-IAGOWNOFSA-N 1 1 361.442 2.437 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c(Cl)c1 ZINC000285422730 551753909 /nfs/dbraw/zinc/75/39/09/551753909.db2.gz GRBULZRUJHIHSM-GFCCVEGCSA-N 1 1 373.862 2.294 20 5 FEBDMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285427466 551754775 /nfs/dbraw/zinc/75/47/75/551754775.db2.gz WIICBAGISUHPGA-CYBMUJFWSA-N 1 1 370.409 2.195 20 5 FEBDMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285427466 551754777 /nfs/dbraw/zinc/75/47/77/551754777.db2.gz WIICBAGISUHPGA-CYBMUJFWSA-N 1 1 370.409 2.195 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285529756 551770274 /nfs/dbraw/zinc/77/02/74/551770274.db2.gz HGRXHRDGKQQZNY-KGLIPLIRSA-N 1 1 355.460 2.259 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285663662 551791936 /nfs/dbraw/zinc/79/19/36/551791936.db2.gz PXFZRLPWBPZDBR-PBWFPOADSA-N 1 1 353.444 2.149 20 5 FEBDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285714590 551800005 /nfs/dbraw/zinc/80/00/05/551800005.db2.gz UCMOAUGJPZQIJM-HOTGVXAUSA-N 1 1 351.403 2.229 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000286113954 551850257 /nfs/dbraw/zinc/85/02/57/551850257.db2.gz JENAKKBDYAUMER-KBPBESRZSA-N 1 1 350.419 2.130 20 5 FEBDMO CCOC(=O)c1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286515583 551895003 /nfs/dbraw/zinc/89/50/03/551895003.db2.gz ZEUWYPDMZHTTKR-UKRRQHHQSA-N 1 1 363.414 2.071 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000288325852 552133748 /nfs/dbraw/zinc/13/37/48/552133748.db2.gz IBXQRAABFQXCBO-SNVBAGLBSA-N 1 1 373.356 2.371 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000288325852 552133750 /nfs/dbraw/zinc/13/37/50/552133750.db2.gz IBXQRAABFQXCBO-SNVBAGLBSA-N 1 1 373.356 2.371 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000500074929 561565451 /nfs/dbraw/zinc/56/54/51/561565451.db2.gz JMRZQPANWVVGNT-SNVBAGLBSA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[N@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000500074929 561565452 /nfs/dbraw/zinc/56/54/52/561565452.db2.gz JMRZQPANWVVGNT-SNVBAGLBSA-N 1 1 361.851 2.271 20 5 FEBDMO COc1cc(C[N@H+](C)CCC(N)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000289266509 552291826 /nfs/dbraw/zinc/29/18/26/552291826.db2.gz FYXLTQVYOZIWEB-UHFFFAOYSA-N 1 1 373.409 2.490 20 5 FEBDMO COc1cc(C[N@@H+](C)CCC(N)=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000289266509 552291828 /nfs/dbraw/zinc/29/18/28/552291828.db2.gz FYXLTQVYOZIWEB-UHFFFAOYSA-N 1 1 373.409 2.490 20 5 FEBDMO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289392736 552313519 /nfs/dbraw/zinc/31/35/19/552313519.db2.gz NRIHRRBPAOSWDL-UHFFFAOYSA-N 1 1 373.457 2.148 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000289402838 552315415 /nfs/dbraw/zinc/31/54/15/552315415.db2.gz AENISXISCXDCDC-NJAFHUGGSA-N 1 1 362.426 2.368 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000500437225 561572885 /nfs/dbraw/zinc/57/28/85/561572885.db2.gz PDLCETHDJVBZMS-HOTGVXAUSA-N 1 1 371.441 2.303 20 5 FEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289727450 552369088 /nfs/dbraw/zinc/36/90/88/552369088.db2.gz HIAWZRAGRAMPSP-KRWDZBQOSA-N 1 1 353.419 2.302 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000289893948 552395446 /nfs/dbraw/zinc/39/54/46/552395446.db2.gz TYLFVOZDGFLLBY-QWHCGFSZSA-N 1 1 350.419 2.076 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289940233 552402674 /nfs/dbraw/zinc/40/26/74/552402674.db2.gz CNIZOWZATJLTOR-LLVKDONJSA-N 1 1 370.837 2.423 20 5 FEBDMO C[C@@H](c1cccc(Nc2nccc(C(N)=O)c2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000290657870 552514153 /nfs/dbraw/zinc/51/41/53/552514153.db2.gz POMXYBFSCXMDHA-LBPRGKRZSA-N 1 1 371.397 2.226 20 5 FEBDMO NC(=O)c1ccnc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000291083089 552584934 /nfs/dbraw/zinc/58/49/34/552584934.db2.gz ILAYQDFBMOFCEA-LBPRGKRZSA-N 1 1 370.413 2.006 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292070837 552690392 /nfs/dbraw/zinc/69/03/92/552690392.db2.gz DOKUMNDFRFOECK-INIZCTEOSA-N 1 1 352.822 2.214 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)C1 ZINC000292159189 552699529 /nfs/dbraw/zinc/69/95/29/552699529.db2.gz CVPBQFQQUUVCGF-LJQANCHMSA-N 1 1 358.442 2.363 20 5 FEBDMO C[C@@H](c1ccccc1)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(N)=O ZINC000292284654 552712432 /nfs/dbraw/zinc/71/24/32/552712432.db2.gz SZTPNFNATYLRCU-YVEFUNNKSA-N 1 1 371.393 2.209 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292916076 552770948 /nfs/dbraw/zinc/77/09/48/552770948.db2.gz XNKQIGOKSWGYIZ-INIZCTEOSA-N 1 1 353.444 2.010 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293457284 552825828 /nfs/dbraw/zinc/82/58/28/552825828.db2.gz TYIFGENYISYJOK-LJQANCHMSA-N 1 1 374.441 2.094 20 5 FEBDMO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])cc1OC ZINC000294327087 552897416 /nfs/dbraw/zinc/89/74/16/552897416.db2.gz XGXFZIXHPFKLIX-GOSISDBHSA-N 1 1 363.414 2.170 20 5 FEBDMO O=C(CC[N@@H+]1CCO[C@H](COCC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501966051 561609048 /nfs/dbraw/zinc/60/90/48/561609048.db2.gz GTNUNWUSQGIEBC-HNNXBMFYSA-N 1 1 363.414 2.051 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@H](COCC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000501966051 561609049 /nfs/dbraw/zinc/60/90/49/561609049.db2.gz GTNUNWUSQGIEBC-HNNXBMFYSA-N 1 1 363.414 2.051 20 5 FEBDMO CC(C)(C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000295643605 553038290 /nfs/dbraw/zinc/03/82/90/553038290.db2.gz PRIPTJWQKKWGEZ-CYBMUJFWSA-N 1 1 362.430 2.147 20 5 FEBDMO CC(C)(C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000295643605 553038292 /nfs/dbraw/zinc/03/82/92/553038292.db2.gz PRIPTJWQKKWGEZ-CYBMUJFWSA-N 1 1 362.430 2.147 20 5 FEBDMO CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[N@@H+](C)C1 ZINC000502463189 561619051 /nfs/dbraw/zinc/61/90/51/561619051.db2.gz DMCGVSROOMFARU-KBPBESRZSA-N 1 1 370.837 2.109 20 5 FEBDMO COC[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296758715 553207801 /nfs/dbraw/zinc/20/78/01/553207801.db2.gz PDKWUUCXAVTOHG-PXAZEXFGSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296758715 553207803 /nfs/dbraw/zinc/20/78/03/553207803.db2.gz PDKWUUCXAVTOHG-PXAZEXFGSA-N 1 1 351.403 2.289 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)C[C@@H]1C ZINC000296924519 553230531 /nfs/dbraw/zinc/23/05/31/553230531.db2.gz ZHXFPBYBDUZPGX-LBPRGKRZSA-N 1 1 354.382 2.227 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)C[C@@H]1C ZINC000296924519 553230533 /nfs/dbraw/zinc/23/05/33/553230533.db2.gz ZHXFPBYBDUZPGX-LBPRGKRZSA-N 1 1 354.382 2.227 20 5 FEBDMO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000503198771 561636556 /nfs/dbraw/zinc/63/65/56/561636556.db2.gz MVWFVVPPTXCAEG-WBVHZDCISA-N 1 1 350.463 2.247 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000297805034 553341151 /nfs/dbraw/zinc/34/11/51/553341151.db2.gz ICEXKYJYLXBBDM-ZDUSSCGKSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025660 553373235 /nfs/dbraw/zinc/37/32/35/553373235.db2.gz DVHRRTAMXQWYTQ-GXTWGEPZSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1ccc(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000298391026 553419674 /nfs/dbraw/zinc/41/96/74/553419674.db2.gz IBBRWDITZWKCPC-KRWDZBQOSA-N 1 1 363.462 2.297 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CCN(c2cc[nH+]cc2Br)CC1 ZINC000298903253 553487529 /nfs/dbraw/zinc/48/75/29/553487529.db2.gz NXXRELAGSIAQFC-UHFFFAOYSA-N 1 1 364.203 2.474 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000299113346 553517351 /nfs/dbraw/zinc/51/73/51/553517351.db2.gz ZDRMXGGLAYCDLY-QWHCGFSZSA-N 1 1 363.414 2.216 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000299192646 553528056 /nfs/dbraw/zinc/52/80/56/553528056.db2.gz DJOZJYVUAUKZRO-IUODEOHRSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000299329289 553548598 /nfs/dbraw/zinc/54/85/98/553548598.db2.gz YXEZZAXZSHSMTH-VIFPVBQESA-N 1 1 359.329 2.029 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1 ZINC000299640220 553594383 /nfs/dbraw/zinc/59/43/83/553594383.db2.gz YBGYVWZHHIFXLW-KRWDZBQOSA-N 1 1 360.414 2.163 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCc2ccccc2C1 ZINC000301091922 553620794 /nfs/dbraw/zinc/62/07/94/553620794.db2.gz IFFNKGJBKBXLFW-UHFFFAOYSA-N 1 1 354.410 2.425 20 5 FEBDMO Nc1nc(N2CCC[N@@H+](CCCc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000301171248 553627891 /nfs/dbraw/zinc/62/78/91/553627891.db2.gz XEDIOEBWDPEWHO-UHFFFAOYSA-N 1 1 356.430 2.112 20 5 FEBDMO C[N@@H+](Cc1ccccc1)C1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000504657382 561660839 /nfs/dbraw/zinc/66/08/39/561660839.db2.gz DRRICPIWLPBXNU-IBGZPJMESA-N 1 1 371.437 2.151 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000301855033 553685745 /nfs/dbraw/zinc/68/57/45/553685745.db2.gz BTZREJFZPFTNSE-UHFFFAOYSA-N 1 1 373.251 2.035 20 5 FEBDMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000302386662 553715771 /nfs/dbraw/zinc/71/57/71/553715771.db2.gz ATFYTKJDAKVNMZ-CYBMUJFWSA-N 1 1 364.475 2.360 20 5 FEBDMO Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437112 553716701 /nfs/dbraw/zinc/71/67/01/553716701.db2.gz MMABKGSWFIOKBT-LSDHHAIUSA-N 1 1 371.441 2.252 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000326823488 553783376 /nfs/dbraw/zinc/78/33/76/553783376.db2.gz YICSJNVIQLPBEM-HNNXBMFYSA-N 1 1 373.862 2.273 20 5 FEBDMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507388692 561727603 /nfs/dbraw/zinc/72/76/03/561727603.db2.gz LKMVEYZVWRDQRO-GDBMZVCRSA-N 1 1 369.425 2.352 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330431551 554120785 /nfs/dbraw/zinc/12/07/85/554120785.db2.gz JPOJODOCFOVBHK-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000331314268 554246022 /nfs/dbraw/zinc/24/60/22/554246022.db2.gz WVCUQOYIGNGZEY-KBPBESRZSA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331365251 554251587 /nfs/dbraw/zinc/25/15/87/554251587.db2.gz CYDCARVEXIRORT-HUUCEWRRSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331365251 554251588 /nfs/dbraw/zinc/25/15/88/554251588.db2.gz CYDCARVEXIRORT-HUUCEWRRSA-N 1 1 374.441 2.256 20 5 FEBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000331507968 554276872 /nfs/dbraw/zinc/27/68/72/554276872.db2.gz BCFLTORZSMSAGR-IKGGRYGDSA-N 1 1 363.414 2.192 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000331655935 554302710 /nfs/dbraw/zinc/30/27/10/554302710.db2.gz LMQFSQNOUKBCJV-BRWVUGGUSA-N 1 1 361.442 2.429 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1O ZINC000331655935 554302715 /nfs/dbraw/zinc/30/27/15/554302715.db2.gz LMQFSQNOUKBCJV-BRWVUGGUSA-N 1 1 361.442 2.429 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000332353244 554431119 /nfs/dbraw/zinc/43/11/19/554431119.db2.gz BLSKSWYVLPDWEE-UHFFFAOYSA-N 1 1 364.427 2.267 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572361 554474280 /nfs/dbraw/zinc/47/42/80/554474280.db2.gz DTNWCQWBJCPCIM-CABCVRRESA-N 1 1 367.471 2.459 20 5 FEBDMO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000360535145 554878563 /nfs/dbraw/zinc/87/85/63/554878563.db2.gz ATDNIPZLYZHKMC-KRWDZBQOSA-N 1 1 361.446 2.227 20 5 FEBDMO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360535145 554878566 /nfs/dbraw/zinc/87/85/66/554878566.db2.gz ATDNIPZLYZHKMC-KRWDZBQOSA-N 1 1 361.446 2.227 20 5 FEBDMO CCc1nn(C)c(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000362337121 554965174 /nfs/dbraw/zinc/96/51/74/554965174.db2.gz SRTJGQJKQHNCKI-DOMZBBRYSA-N 1 1 361.450 2.119 20 5 FEBDMO Cc1ccc(NC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000362813971 554990531 /nfs/dbraw/zinc/99/05/31/554990531.db2.gz ZRBTYBYCNQGMGC-HOTGVXAUSA-N 1 1 362.430 2.356 20 5 FEBDMO O=C([C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000362853153 554993280 /nfs/dbraw/zinc/99/32/80/554993280.db2.gz UBYVAHVOHCSTQF-HOTGVXAUSA-N 1 1 358.442 2.118 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000363232785 555060291 /nfs/dbraw/zinc/06/02/91/555060291.db2.gz XNEZQSHDDFBOAG-HNNXBMFYSA-N 1 1 372.429 2.296 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363260003 555066123 /nfs/dbraw/zinc/06/61/23/555066123.db2.gz SAWRDXWVJIUURI-DUVNUKRYSA-N 1 1 363.389 2.055 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC[C@H]2c2cccs2)c1 ZINC000363285408 555070892 /nfs/dbraw/zinc/07/08/92/555070892.db2.gz JYLFYUHGUJOGEO-OLZOCXBDSA-N 1 1 354.457 2.004 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCCN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000363614631 555147775 /nfs/dbraw/zinc/14/77/75/555147775.db2.gz VJOJOIMOJLAFBV-MSOLQXFVSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2CN2CCC[C@H]2CO)cc1 ZINC000363614631 555147778 /nfs/dbraw/zinc/14/77/78/555147778.db2.gz VJOJOIMOJLAFBV-MSOLQXFVSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2CN2CCC[C@H]2CO)cc1 ZINC000363614631 555147782 /nfs/dbraw/zinc/14/77/82/555147782.db2.gz VJOJOIMOJLAFBV-MSOLQXFVSA-N 1 1 363.458 2.285 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)CC1 ZINC000363645557 555153966 /nfs/dbraw/zinc/15/39/66/555153966.db2.gz QFJUGHRSCBHHOL-UHFFFAOYSA-N 1 1 372.429 2.042 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659163 555157835 /nfs/dbraw/zinc/15/78/35/555157835.db2.gz GKZHKNRVBBTOIF-BFYDXBDKSA-N 1 1 358.442 2.340 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659163 555157837 /nfs/dbraw/zinc/15/78/37/555157837.db2.gz GKZHKNRVBBTOIF-BFYDXBDKSA-N 1 1 358.442 2.340 20 5 FEBDMO COc1ccc(CSCC(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000512117208 561893113 /nfs/dbraw/zinc/89/31/13/561893113.db2.gz RVSQMCWSVUCMTL-QWHCGFSZSA-N 1 1 367.471 2.388 20 5 FEBDMO COc1ccc(CSCC(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000512117208 561893114 /nfs/dbraw/zinc/89/31/14/561893114.db2.gz RVSQMCWSVUCMTL-QWHCGFSZSA-N 1 1 367.471 2.388 20 5 FEBDMO Cc1c(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000364145325 555258514 /nfs/dbraw/zinc/25/85/14/555258514.db2.gz XJFGEWUUJKRESU-CABCVRRESA-N 1 1 362.430 2.356 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000364163303 555261199 /nfs/dbraw/zinc/26/11/99/555261199.db2.gz WUCIGJOHTGLHDA-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@@H]1Cn1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000364743868 555391958 /nfs/dbraw/zinc/39/19/58/555391958.db2.gz UVIIJYJXVUGNDP-QGZVFWFLSA-N 1 1 369.425 2.235 20 5 FEBDMO O=C(C[N@H+]1CCCC[C@@H]1Cn1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000364743868 555391959 /nfs/dbraw/zinc/39/19/59/555391959.db2.gz UVIIJYJXVUGNDP-QGZVFWFLSA-N 1 1 369.425 2.235 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764093 555396778 /nfs/dbraw/zinc/39/67/78/555396778.db2.gz KJLPLIXAOXZJRS-CHWSQXEVSA-N 1 1 363.414 2.361 20 5 FEBDMO COC(=O)[C@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764093 555396779 /nfs/dbraw/zinc/39/67/79/555396779.db2.gz KJLPLIXAOXZJRS-CHWSQXEVSA-N 1 1 363.414 2.361 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000365028477 555468500 /nfs/dbraw/zinc/46/85/00/555468500.db2.gz CXRIPCRVQOBZEA-CYBMUJFWSA-N 1 1 350.419 2.132 20 5 FEBDMO COc1cc(C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)cc([N+](=O)[O-])c1C ZINC000365087377 555482159 /nfs/dbraw/zinc/48/21/59/555482159.db2.gz XOWJUYYYMQYYKY-CQSZACIVSA-N 1 1 365.455 2.175 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]21 ZINC000365376422 555557393 /nfs/dbraw/zinc/55/73/93/555557393.db2.gz BTVNVOAQTYZASE-ZIAGYGMSSA-N 1 1 365.434 2.123 20 5 FEBDMO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[N@H+](C2CCOCC2)CC1 ZINC000365398060 555564576 /nfs/dbraw/zinc/56/45/76/555564576.db2.gz HOAYAPDOPSDQPJ-UHFFFAOYSA-N 1 1 351.378 2.061 20 5 FEBDMO Cc1ccccc1CNC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365518979 555597263 /nfs/dbraw/zinc/59/72/63/555597263.db2.gz VCTRUVOQRZNFGK-UHFFFAOYSA-N 1 1 357.414 2.053 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365753226 555659872 /nfs/dbraw/zinc/65/98/72/555659872.db2.gz KFWJHQNOFBHWKY-LSDHHAIUSA-N 1 1 366.466 2.258 20 5 FEBDMO COC(=O)c1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000365822386 555675551 /nfs/dbraw/zinc/67/55/51/555675551.db2.gz SJTXTYIDUDYKBO-UHFFFAOYSA-N 1 1 350.400 2.477 20 5 FEBDMO Cc1noc(CCC[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)n1 ZINC000513660128 561946224 /nfs/dbraw/zinc/94/62/24/561946224.db2.gz GAYQAFKBNFXNNJ-MRXNPFEDSA-N 1 1 356.386 2.332 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000366681830 555907734 /nfs/dbraw/zinc/90/77/34/555907734.db2.gz JJEIQDVECRSGEH-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000366707851 555914839 /nfs/dbraw/zinc/91/48/39/555914839.db2.gz DTCIFMWVBCMMNU-GOSISDBHSA-N 1 1 360.389 2.375 20 5 FEBDMO CC(C)NC(=O)c1ccc(N2CC[C@@H](c3[nH+]ccn3C)C2)c([N+](=O)[O-])c1 ZINC000366835761 555947052 /nfs/dbraw/zinc/94/70/52/555947052.db2.gz ZMSWZLRGKSNOER-CQSZACIVSA-N 1 1 357.414 2.460 20 5 FEBDMO CN(C(=O)CN1CCCC2(CC[NH+](C)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000366863023 555953787 /nfs/dbraw/zinc/95/37/87/555953787.db2.gz DOZAFDJUZCPYLH-UHFFFAOYSA-N 1 1 360.458 2.365 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000514542569 561967057 /nfs/dbraw/zinc/96/70/57/561967057.db2.gz GFXNNVCFNOZJQA-ZIAGYGMSSA-N 1 1 355.460 2.444 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000367284601 556008225 /nfs/dbraw/zinc/00/82/25/556008225.db2.gz FHVXMEAPJHUVNC-HNNXBMFYSA-N 1 1 357.414 2.445 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[NH+]([C@H]4CCOC4)CC3)o2)c1 ZINC000367412821 556042025 /nfs/dbraw/zinc/04/20/25/556042025.db2.gz MOYUIBXTSUKVPJ-KRWDZBQOSA-N 1 1 372.425 2.199 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000367426438 556045676 /nfs/dbraw/zinc/04/56/76/556045676.db2.gz OPRZWJNYDGCEOL-CQSZACIVSA-N 1 1 354.838 2.067 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000367809335 556144510 /nfs/dbraw/zinc/14/45/10/556144510.db2.gz FEYWYIJGXFNJPL-CVEARBPZSA-N 1 1 369.425 2.207 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000515200018 562000482 /nfs/dbraw/zinc/00/04/82/562000482.db2.gz SUNMFLATUVBNDH-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000515200018 562000484 /nfs/dbraw/zinc/00/04/84/562000484.db2.gz SUNMFLATUVBNDH-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369006919 556474195 /nfs/dbraw/zinc/47/41/95/556474195.db2.gz FBXIXJNFEVYVNK-DOTOQJQBSA-N 1 1 357.414 2.258 20 5 FEBDMO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369006919 556474196 /nfs/dbraw/zinc/47/41/96/556474196.db2.gz FBXIXJNFEVYVNK-DOTOQJQBSA-N 1 1 357.414 2.258 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(n2cccn2)CC1 ZINC000369120378 556509964 /nfs/dbraw/zinc/50/99/64/556509964.db2.gz SEUNQEZLAGGBEU-ZDUSSCGKSA-N 1 1 373.413 2.464 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370005495 556755746 /nfs/dbraw/zinc/75/57/46/556755746.db2.gz GBNLJIIZIGUVQC-UONOGXRCSA-N 1 1 357.414 2.220 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227276 557112455 /nfs/dbraw/zinc/11/24/55/557112455.db2.gz CIQQXWVPVXUXBJ-XHDPSFHLSA-N 1 1 363.805 2.394 20 5 FEBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227276 557112457 /nfs/dbraw/zinc/11/24/57/557112457.db2.gz CIQQXWVPVXUXBJ-XHDPSFHLSA-N 1 1 363.805 2.394 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227276 557112459 /nfs/dbraw/zinc/11/24/59/557112459.db2.gz CIQQXWVPVXUXBJ-XHDPSFHLSA-N 1 1 363.805 2.394 20 5 FEBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000371336586 557151621 /nfs/dbraw/zinc/15/16/21/557151621.db2.gz RVHVUXYQHNIRAE-NVXWUHKLSA-N 1 1 360.414 2.295 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)c1 ZINC000517555655 562092257 /nfs/dbraw/zinc/09/22/57/562092257.db2.gz UMVFVIIPWFMHNK-QGZVFWFLSA-N 1 1 356.382 2.175 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000371506308 557203482 /nfs/dbraw/zinc/20/34/82/557203482.db2.gz QHVKGBMMCGUNMZ-SMDDNHRTSA-N 1 1 373.862 2.271 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@H]21 ZINC000371546761 557216770 /nfs/dbraw/zinc/21/67/70/557216770.db2.gz OCOFFPDQKZKLOO-RDTXWAMCSA-N 1 1 358.442 2.361 20 5 FEBDMO COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747604 562097056 /nfs/dbraw/zinc/09/70/56/562097056.db2.gz ZBQNFMJQBCEQPE-HZPDHXFCSA-N 1 1 371.441 2.227 20 5 FEBDMO COc1ccc([C@H](C[NH3+])CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747604 562097057 /nfs/dbraw/zinc/09/70/57/562097057.db2.gz ZBQNFMJQBCEQPE-HZPDHXFCSA-N 1 1 371.441 2.227 20 5 FEBDMO COC(=O)c1cn([C@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000372037395 557363693 /nfs/dbraw/zinc/36/36/93/557363693.db2.gz LHJTWVGNXXBNHD-SZTZYQKNSA-N 1 1 371.397 2.323 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372156395 557394590 /nfs/dbraw/zinc/39/45/90/557394590.db2.gz KHIOCXUHTLMPFA-UONOGXRCSA-N 1 1 363.414 2.290 20 5 FEBDMO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000518957482 562121846 /nfs/dbraw/zinc/12/18/46/562121846.db2.gz HTRKORSJPDZUFQ-QGZVFWFLSA-N 1 1 355.398 2.089 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000372403337 557461920 /nfs/dbraw/zinc/46/19/20/557461920.db2.gz GLUBFNAVYQLHIR-LPHOPBHVSA-N 1 1 354.410 2.342 20 5 FEBDMO C[NH+](C)[C@@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000372478716 557480914 /nfs/dbraw/zinc/48/09/14/557480914.db2.gz VXFHVHHZHTZHJF-DOTOQJQBSA-N 1 1 357.414 2.258 20 5 FEBDMO C[N@H+]1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@@H]1c1cccs1 ZINC000372842248 557573419 /nfs/dbraw/zinc/57/34/19/557573419.db2.gz VWDNCDNHTGEVRW-BDJLRTHQSA-N 1 1 358.427 2.804 20 5 FEBDMO CN1CCC2(CC[NH+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)CC2)C1=O ZINC000373147256 557638241 /nfs/dbraw/zinc/63/82/41/557638241.db2.gz LXVQAWISJQNRTF-UHFFFAOYSA-N 1 1 371.397 2.089 20 5 FEBDMO CN1CCC2(CC[NH+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)CC2)C1=O ZINC000373161649 557641395 /nfs/dbraw/zinc/64/13/95/557641395.db2.gz ZHDWWTYMFFWTEN-UHFFFAOYSA-N 1 1 371.397 2.089 20 5 FEBDMO COC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582360 557722819 /nfs/dbraw/zinc/72/28/19/557722819.db2.gz GZLKWIZPNNBGAT-CQSZACIVSA-N 1 1 374.397 2.294 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000373747253 557750716 /nfs/dbraw/zinc/75/07/16/557750716.db2.gz TZFKXOZGEJQTDU-CQSZACIVSA-N 1 1 350.419 2.132 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000373928646 557789321 /nfs/dbraw/zinc/78/93/21/557789321.db2.gz GGLKQMABWHFHNR-PBHICJAKSA-N 1 1 355.398 2.137 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCSC3)CC2)c1 ZINC000374769546 557928360 /nfs/dbraw/zinc/92/83/60/557928360.db2.gz UWLJSYUEWUDKRV-ZDUSSCGKSA-N 1 1 365.455 2.257 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1SC ZINC000375066554 557972893 /nfs/dbraw/zinc/97/28/93/557972893.db2.gz RWPQNRNQCBVEQR-BXUZGUMPSA-N 1 1 365.455 2.492 20 5 FEBDMO NC(=O)c1ccc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c([N+](=O)[O-])c1 ZINC000375162619 557985769 /nfs/dbraw/zinc/98/57/69/557985769.db2.gz XZRQJJIBIABRNB-UHFFFAOYSA-N 1 1 371.397 2.334 20 5 FEBDMO O=C1CCCN1CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000375709585 558071012 /nfs/dbraw/zinc/07/10/12/558071012.db2.gz BCHNXBYFUNTIOT-UHFFFAOYSA-N 1 1 362.386 2.337 20 5 FEBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000375723508 558073110 /nfs/dbraw/zinc/07/31/10/558073110.db2.gz QBTIIXLDRFDDIC-QGZVFWFLSA-N 1 1 365.434 2.267 20 5 FEBDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000375723508 558073111 /nfs/dbraw/zinc/07/31/11/558073111.db2.gz QBTIIXLDRFDDIC-QGZVFWFLSA-N 1 1 365.434 2.267 20 5 FEBDMO COC(=O)c1cc(C)nc(N2CCC(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000376214529 558142308 /nfs/dbraw/zinc/14/23/08/558142308.db2.gz XRYOOJQAOUECND-UHFFFAOYSA-N 1 1 373.413 2.277 20 5 FEBDMO O=c1[nH]c(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376218958 558143374 /nfs/dbraw/zinc/14/33/74/558143374.db2.gz LWGVMNAJYQIDPT-SGIREYDYSA-N 1 1 355.398 2.164 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000521689769 562182229 /nfs/dbraw/zinc/18/22/29/562182229.db2.gz HKVJDTDIYOKIOW-BETUJISGSA-N 1 1 371.459 2.145 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000377780530 558418401 /nfs/dbraw/zinc/41/84/01/558418401.db2.gz QKBJINJBGPZVOV-AWEZNQCLSA-N 1 1 373.413 2.384 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000377814390 558425556 /nfs/dbraw/zinc/42/55/56/558425556.db2.gz NQTBNXVBRXWIEF-ZOBUZTSGSA-N 1 1 369.425 2.012 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](c4nnc[nH]4)C3)n2)c1 ZINC000378008589 558462158 /nfs/dbraw/zinc/46/21/58/558462158.db2.gz XQEWCKXRTFCTSS-LBPRGKRZSA-N 1 1 355.358 2.143 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](c4nnc[nH]4)C3)n2)c1 ZINC000378008589 558462162 /nfs/dbraw/zinc/46/21/62/558462162.db2.gz XQEWCKXRTFCTSS-LBPRGKRZSA-N 1 1 355.358 2.143 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000523283345 562210455 /nfs/dbraw/zinc/21/04/55/562210455.db2.gz FRJXSEXQPWOMLT-AWEZNQCLSA-N 1 1 351.451 2.297 20 5 FEBDMO Cc1nn(CCC(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303265 558524628 /nfs/dbraw/zinc/52/46/28/558524628.db2.gz CIPSJWACQMXROL-IRXDYDNUSA-N 1 1 371.441 2.012 20 5 FEBDMO Cc1ccc(CN2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000378336812 558532802 /nfs/dbraw/zinc/53/28/02/558532802.db2.gz OTHIFVBBCQVAML-UHFFFAOYSA-N 1 1 362.474 2.326 20 5 FEBDMO Cc1ccc(CN2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000378336812 558532806 /nfs/dbraw/zinc/53/28/06/558532806.db2.gz OTHIFVBBCQVAML-UHFFFAOYSA-N 1 1 362.474 2.326 20 5 FEBDMO Cc1ccc(C[N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000378336812 558532808 /nfs/dbraw/zinc/53/28/08/558532808.db2.gz OTHIFVBBCQVAML-UHFFFAOYSA-N 1 1 362.474 2.326 20 5 FEBDMO Cc1ccc(C[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000378336812 558532809 /nfs/dbraw/zinc/53/28/09/558532809.db2.gz OTHIFVBBCQVAML-UHFFFAOYSA-N 1 1 362.474 2.326 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000378407564 558549875 /nfs/dbraw/zinc/54/98/75/558549875.db2.gz XVYWLXSRSVFBMF-DOMZBBRYSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000378407564 558549877 /nfs/dbraw/zinc/54/98/77/558549877.db2.gz XVYWLXSRSVFBMF-DOMZBBRYSA-N 1 1 363.805 2.157 20 5 FEBDMO C[C@@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000408374948 558671908 /nfs/dbraw/zinc/67/19/08/558671908.db2.gz QKIXNMBZXKFPGE-OIISXLGYSA-N 1 1 372.469 2.465 20 5 FEBDMO C[C@H]1CCCN(c2ccc(C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)cc2[N+](=O)[O-])C1 ZINC000408374944 558672174 /nfs/dbraw/zinc/67/21/74/558672174.db2.gz QKIXNMBZXKFPGE-BHYGNILZSA-N 1 1 372.469 2.465 20 5 FEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000524719280 562233032 /nfs/dbraw/zinc/23/30/32/562233032.db2.gz AUWMQLJMAAEINZ-ZDUSSCGKSA-N 1 1 357.414 2.067 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000524801804 562235284 /nfs/dbraw/zinc/23/52/84/562235284.db2.gz NDRBEVDFPWRPBP-UHFFFAOYSA-N 1 1 360.418 2.210 20 5 FEBDMO COc1ccccc1C[N@@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411224720 558856003 /nfs/dbraw/zinc/85/60/03/558856003.db2.gz LSICSOJGMHFLKH-UHFFFAOYSA-N 1 1 373.409 2.427 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411849056 558975907 /nfs/dbraw/zinc/97/59/07/558975907.db2.gz NZNFJTNTZZOXHY-QGZVFWFLSA-N 1 1 363.414 2.433 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000411907961 558986239 /nfs/dbraw/zinc/98/62/39/558986239.db2.gz CNQGTINLFIMATI-YQVWRLOYSA-N 1 1 358.394 2.142 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412054831 559007285 /nfs/dbraw/zinc/00/72/85/559007285.db2.gz JNDYJWVIOYBAGP-GJZGRUSLSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412054831 559007286 /nfs/dbraw/zinc/00/72/86/559007286.db2.gz JNDYJWVIOYBAGP-GJZGRUSLSA-N 1 1 374.441 2.399 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412086143 559011651 /nfs/dbraw/zinc/01/16/51/559011651.db2.gz BDLIDPVMFZOVAX-GFCCVEGCSA-N 1 1 353.394 2.276 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000412101902 559013785 /nfs/dbraw/zinc/01/37/85/559013785.db2.gz JSXIMRYJZKJIAG-QGZVFWFLSA-N 1 1 360.370 2.420 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000412101902 559013787 /nfs/dbraw/zinc/01/37/87/559013787.db2.gz JSXIMRYJZKJIAG-QGZVFWFLSA-N 1 1 360.370 2.420 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1F ZINC000412188775 559018946 /nfs/dbraw/zinc/01/89/46/559018946.db2.gz CAMDFCMARCMNJS-JSGCOSHPSA-N 1 1 365.405 2.228 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1F ZINC000412405208 559033674 /nfs/dbraw/zinc/03/36/74/559033674.db2.gz WZWZKWUVGMIEND-YOGCLGLASA-N 1 1 351.378 2.026 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000526019575 562263932 /nfs/dbraw/zinc/26/39/32/562263932.db2.gz HMEQTOCCQUPCSW-UHFFFAOYSA-N 1 1 368.397 2.208 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412709035 559052057 /nfs/dbraw/zinc/05/20/57/559052057.db2.gz LEAQBEQRRMMJNF-AWEZNQCLSA-N 1 1 369.425 2.378 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000412709035 559052058 /nfs/dbraw/zinc/05/20/58/559052058.db2.gz LEAQBEQRRMMJNF-AWEZNQCLSA-N 1 1 369.425 2.378 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1OC ZINC000421707180 559550225 /nfs/dbraw/zinc/55/02/25/559550225.db2.gz WSOAGVKXUDZUOC-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc([N+](=O)[O-])c1C ZINC000423616301 559634120 /nfs/dbraw/zinc/63/41/20/559634120.db2.gz RRGRYENPSZBJHH-MRXNPFEDSA-N 1 1 356.382 2.094 20 5 FEBDMO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423717733 559636884 /nfs/dbraw/zinc/63/68/84/559636884.db2.gz BFSXISNHNOQWOF-ZDUSSCGKSA-N 1 1 355.398 2.200 20 5 FEBDMO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423730310 559637269 /nfs/dbraw/zinc/63/72/69/559637269.db2.gz WJPDQZIONOOLBM-GFCCVEGCSA-N 1 1 355.398 2.200 20 5 FEBDMO CCOc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000423964272 559648354 /nfs/dbraw/zinc/64/83/54/559648354.db2.gz GTZDDXUDVOEUJF-INIZCTEOSA-N 1 1 356.382 2.175 20 5 FEBDMO NC(=O)c1ccc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000425279770 559694710 /nfs/dbraw/zinc/69/47/10/559694710.db2.gz VQZUBLUZFLHWRQ-QFBILLFUSA-N 1 1 366.421 2.404 20 5 FEBDMO C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[N@H+]1CCO ZINC000425466912 559703791 /nfs/dbraw/zinc/70/37/91/559703791.db2.gz CFMALGVAUZBHDG-NEPJUHHUSA-N 1 1 372.263 2.244 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000425622502 559711847 /nfs/dbraw/zinc/71/18/47/559711847.db2.gz NWELRDULEZINKP-UHFFFAOYSA-N 1 1 366.418 2.178 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000428548128 559777867 /nfs/dbraw/zinc/77/78/67/559777867.db2.gz NQEYFWUEIDMILP-SFHVURJKSA-N 1 1 355.394 2.343 20 5 FEBDMO COc1cccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1[N+](=O)[O-] ZINC000428551206 559778024 /nfs/dbraw/zinc/77/80/24/559778024.db2.gz KAAJYLQNEBLGKP-HNNXBMFYSA-N 1 1 371.393 2.422 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000428858915 559784903 /nfs/dbraw/zinc/78/49/03/559784903.db2.gz GQEHNXUAMIORJW-FZKQIMNGSA-N 1 1 370.409 2.089 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000431020185 559832476 /nfs/dbraw/zinc/83/24/76/559832476.db2.gz XEPRRXZWLLDHCE-UHFFFAOYSA-N 1 1 353.176 2.292 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432326716 559856381 /nfs/dbraw/zinc/85/63/81/559856381.db2.gz CYQQFLWXWBHXTP-INIZCTEOSA-N 1 1 372.425 2.320 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1cnn(C)c1 ZINC000433308705 559876532 /nfs/dbraw/zinc/87/65/32/559876532.db2.gz YSONFQKBJRZPDL-SUMWQHHRSA-N 1 1 374.445 2.202 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433559703 559884157 /nfs/dbraw/zinc/88/41/57/559884157.db2.gz UJVVWANEGORFCK-INIZCTEOSA-N 1 1 362.430 2.420 20 5 FEBDMO CS(=O)(=O)c1cccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433807553 559888018 /nfs/dbraw/zinc/88/80/18/559888018.db2.gz ILEQSAVIDZUTQC-ZDUSSCGKSA-N 1 1 353.444 2.427 20 5 FEBDMO CS(=O)(=O)c1cccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c1[N+](=O)[O-] ZINC000433807553 559888019 /nfs/dbraw/zinc/88/80/19/559888019.db2.gz ILEQSAVIDZUTQC-ZDUSSCGKSA-N 1 1 353.444 2.427 20 5 FEBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000439478803 559995198 /nfs/dbraw/zinc/99/51/98/559995198.db2.gz ODNAYIWWPPMOLI-SFHVURJKSA-N 1 1 350.415 2.429 20 5 FEBDMO COCCCN1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543757 560164233 /nfs/dbraw/zinc/16/42/33/560164233.db2.gz SCGVKJDQYHTJHH-IRXDYDNUSA-N 1 1 365.478 2.366 20 5 FEBDMO CC(C)[C@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000447803947 560169485 /nfs/dbraw/zinc/16/94/85/560169485.db2.gz CKLGRBNWJLPJKQ-LJQANCHMSA-N 1 1 362.474 2.203 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447926202 560173160 /nfs/dbraw/zinc/17/31/60/560173160.db2.gz ACZQERGXFLVUKH-OAHLLOKOSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447941591 560174122 /nfs/dbraw/zinc/17/41/22/560174122.db2.gz LDADSZCRJYPPAY-HNNXBMFYSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447941471 560174185 /nfs/dbraw/zinc/17/41/85/560174185.db2.gz FMCNPQKOOHVCIG-HNNXBMFYSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447941471 560174186 /nfs/dbraw/zinc/17/41/86/560174186.db2.gz FMCNPQKOOHVCIG-HNNXBMFYSA-N 1 1 371.459 2.002 20 5 FEBDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000449392879 560228868 /nfs/dbraw/zinc/22/88/68/560228868.db2.gz LKGFQQLEOGBXCN-KRWDZBQOSA-N 1 1 352.387 2.005 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c2c(c1)COCO2 ZINC000449674826 560236352 /nfs/dbraw/zinc/23/63/52/560236352.db2.gz WYWSJRUPAWYFPO-OTYXRUKQSA-N 1 1 362.304 2.206 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c2c(c1)COCO2 ZINC000449674826 560236353 /nfs/dbraw/zinc/23/63/53/560236353.db2.gz WYWSJRUPAWYFPO-OTYXRUKQSA-N 1 1 362.304 2.206 20 5 FEBDMO NC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449774952 560239885 /nfs/dbraw/zinc/23/98/85/560239885.db2.gz PRXHFNRZZPXEAQ-CQSZACIVSA-N 1 1 361.423 2.400 20 5 FEBDMO NC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449774952 560239886 /nfs/dbraw/zinc/23/98/86/560239886.db2.gz PRXHFNRZZPXEAQ-CQSZACIVSA-N 1 1 361.423 2.400 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931148 560245648 /nfs/dbraw/zinc/24/56/48/560245648.db2.gz NWWPSJHCIVUFDP-HIFRSBDPSA-N 1 1 357.414 2.193 20 5 FEBDMO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000450148576 560252257 /nfs/dbraw/zinc/25/22/57/560252257.db2.gz PZNJHRRUWAWNOL-RISCZKNCSA-N 1 1 351.378 2.299 20 5 FEBDMO Cc1nc(NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450255070 560255857 /nfs/dbraw/zinc/25/58/57/560255857.db2.gz XWIPJKJLEYRNPL-OKILXGFUSA-N 1 1 371.441 2.915 20 5 FEBDMO O=C(c1cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-])N1CCCC1 ZINC000450797835 560273680 /nfs/dbraw/zinc/27/36/80/560273680.db2.gz XSEMJAGONFCULF-IYBDPMFKSA-N 1 1 374.441 2.106 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@H]2CC)c([N+](=O)[O-])c1 ZINC000451250690 560295909 /nfs/dbraw/zinc/29/59/09/560295909.db2.gz DSJFBULNAIUBRE-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@H]2CC)c([N+](=O)[O-])c1 ZINC000451250690 560295910 /nfs/dbraw/zinc/29/59/10/560295910.db2.gz DSJFBULNAIUBRE-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451425461 560306446 /nfs/dbraw/zinc/30/64/46/560306446.db2.gz UEQHCHLXWXRCJS-YSVLISHTSA-N 1 1 363.414 2.167 20 5 FEBDMO CC(C)(C)NC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451566914 560315325 /nfs/dbraw/zinc/31/53/25/560315325.db2.gz MPTUKHSGHXGQDJ-CQSZACIVSA-N 1 1 362.430 2.399 20 5 FEBDMO CC(C)(C)NC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451566914 560315326 /nfs/dbraw/zinc/31/53/26/560315326.db2.gz MPTUKHSGHXGQDJ-CQSZACIVSA-N 1 1 362.430 2.399 20 5 FEBDMO CC[C@@H]1CN(CC)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451734539 560325602 /nfs/dbraw/zinc/32/56/02/560325602.db2.gz WYRNEDBGKWEBKU-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[C@@H]1CN(CC)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451734539 560325603 /nfs/dbraw/zinc/32/56/03/560325603.db2.gz WYRNEDBGKWEBKU-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000451985222 560342614 /nfs/dbraw/zinc/34/26/14/560342614.db2.gz MFWWWCSKKLSTPK-UHFFFAOYSA-N 1 1 368.453 2.248 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452786253 560373981 /nfs/dbraw/zinc/37/39/81/560373981.db2.gz XFHDFKSUEVCCRA-ZDUSSCGKSA-N 1 1 355.822 2.133 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000452983041 560379977 /nfs/dbraw/zinc/37/99/77/560379977.db2.gz YUJQOHJVQMYCJY-SWLSCSKDSA-N 1 1 365.455 2.109 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453045689 560382403 /nfs/dbraw/zinc/38/24/03/560382403.db2.gz ZIOFGMPYGPAZFV-UHIISALHSA-N 1 1 353.806 2.178 20 5 FEBDMO CNc1nc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000454422464 560443840 /nfs/dbraw/zinc/44/38/40/560443840.db2.gz KATXNDNOKSIOOO-UHFFFAOYSA-N 1 1 369.425 2.032 20 5 FEBDMO CNc1nc(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000454623862 560451715 /nfs/dbraw/zinc/45/17/15/560451715.db2.gz SAODDGNZTZODTL-ZDUSSCGKSA-N 1 1 369.425 2.208 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456316472 560515055 /nfs/dbraw/zinc/51/50/55/560515055.db2.gz AFECTYJRGVJQGA-OAHLLOKOSA-N 1 1 371.441 2.080 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000456908984 560537206 /nfs/dbraw/zinc/53/72/06/560537206.db2.gz YHTOYVZXWJUMNP-UHFFFAOYSA-N 1 1 373.457 2.222 20 5 FEBDMO COc1cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000458174363 560606919 /nfs/dbraw/zinc/60/69/19/560606919.db2.gz SCEDAXCOFHSFSE-GFCCVEGCSA-N 1 1 351.403 2.074 20 5 FEBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000458499510 560627588 /nfs/dbraw/zinc/62/75/88/560627588.db2.gz JWABSENFBVXSKH-GDBMZVCRSA-N 1 1 364.446 2.110 20 5 FEBDMO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1cncc(F)c1 ZINC000459623083 560698550 /nfs/dbraw/zinc/69/85/50/560698550.db2.gz PIQPVPQDALBGGA-VIFPVBQESA-N 1 1 362.317 2.147 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)[C@H](CO)C3)o2)c(Cl)c1 ZINC000459674108 560701493 /nfs/dbraw/zinc/70/14/93/560701493.db2.gz BOXMPZRRRKJDKK-BONVTDFDSA-N 1 1 352.774 2.293 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459767610 560707261 /nfs/dbraw/zinc/70/72/61/560707261.db2.gz ANUHJRPOIZKHEB-NZSAHSFTSA-N 1 1 364.442 2.208 20 5 FEBDMO C[C@@H](C[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459818089 560710705 /nfs/dbraw/zinc/71/07/05/560710705.db2.gz XZUKWIQVMDVALS-LBPRGKRZSA-N 1 1 351.403 2.443 20 5 FEBDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000459818089 560710706 /nfs/dbraw/zinc/71/07/06/560710706.db2.gz XZUKWIQVMDVALS-LBPRGKRZSA-N 1 1 351.403 2.443 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000461801425 560784817 /nfs/dbraw/zinc/78/48/17/560784817.db2.gz FDXFHUPWIYQOKP-AWEZNQCLSA-N 1 1 364.446 2.488 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467127703 560904154 /nfs/dbraw/zinc/90/41/54/560904154.db2.gz HZEHGVMPXSHDCJ-OLZOCXBDSA-N 1 1 351.403 2.431 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000468468159 560930550 /nfs/dbraw/zinc/93/05/50/560930550.db2.gz QMROJCAWQVBWND-INIZCTEOSA-N 1 1 372.429 2.026 20 5 FEBDMO CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000468688617 560936107 /nfs/dbraw/zinc/93/61/07/560936107.db2.gz GTXANKKCALDBBF-GFCCVEGCSA-N 1 1 374.397 2.367 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470141784 560975181 /nfs/dbraw/zinc/97/51/81/560975181.db2.gz LJFXCACEGUTAEU-LBPRGKRZSA-N 1 1 366.393 2.451 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470139847 560975213 /nfs/dbraw/zinc/97/52/13/560975213.db2.gz BMCXHHHMMDDLJQ-AWEZNQCLSA-N 1 1 354.382 2.092 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470913206 560993790 /nfs/dbraw/zinc/99/37/90/560993790.db2.gz MSIQUWWJCSERIK-SJKOYZFVSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470913206 560993791 /nfs/dbraw/zinc/99/37/91/560993791.db2.gz MSIQUWWJCSERIK-SJKOYZFVSA-N 1 1 351.403 2.431 20 5 FEBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000473169191 561043403 /nfs/dbraw/zinc/04/34/03/561043403.db2.gz MRUXVNNYYUJEHH-AWEZNQCLSA-N 1 1 365.411 2.317 20 5 FEBDMO CCOC(=O)c1coc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000474271514 561069964 /nfs/dbraw/zinc/06/99/64/561069964.db2.gz ALAIVGQRQLFIMM-ZDUSSCGKSA-N 1 1 360.370 2.446 20 5 FEBDMO CCOC(=O)c1coc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000474271514 561069965 /nfs/dbraw/zinc/06/99/65/561069965.db2.gz ALAIVGQRQLFIMM-ZDUSSCGKSA-N 1 1 360.370 2.446 20 5 FEBDMO CC[N@@H+]1CCCC[C@H]1CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474358414 561072066 /nfs/dbraw/zinc/07/20/66/561072066.db2.gz VRXVSQAFJDJOFA-HNNXBMFYSA-N 1 1 365.430 2.111 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474358414 561072067 /nfs/dbraw/zinc/07/20/67/561072067.db2.gz VRXVSQAFJDJOFA-HNNXBMFYSA-N 1 1 365.430 2.111 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000475567935 561100099 /nfs/dbraw/zinc/10/00/99/561100099.db2.gz DSUXRSGTHMKMJH-UHFFFAOYSA-N 1 1 366.414 2.274 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000476407133 561118688 /nfs/dbraw/zinc/11/86/88/561118688.db2.gz FZYQXAPCKZWQIY-ZDUSSCGKSA-N 1 1 351.794 2.014 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000476657815 561125501 /nfs/dbraw/zinc/12/55/01/561125501.db2.gz MHQMJEBSPNXNCD-UKRRQHHQSA-N 1 1 357.414 2.111 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000477021436 561134395 /nfs/dbraw/zinc/13/43/95/561134395.db2.gz AIAANPGTIMVSSS-GDBMZVCRSA-N 1 1 371.441 2.453 20 5 FEBDMO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000532142960 562468602 /nfs/dbraw/zinc/46/86/02/562468602.db2.gz OKMLTJWCZZUWQG-UHFFFAOYSA-N 1 1 362.430 2.002 20 5 FEBDMO CN1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c2ccc[nH+]c21 ZINC000534219050 562527811 /nfs/dbraw/zinc/52/78/11/562527811.db2.gz DMMKHPUPMYHKRZ-UHFFFAOYSA-N 1 1 352.354 2.496 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534252117 562528621 /nfs/dbraw/zinc/52/86/21/562528621.db2.gz XLPICYSTIYWCAY-UHFFFAOYSA-N 1 1 373.457 2.224 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc1OC ZINC000536600051 562579964 /nfs/dbraw/zinc/57/99/64/562579964.db2.gz RVNWTFMTPGSLMH-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1OC ZINC000536600051 562579965 /nfs/dbraw/zinc/57/99/65/562579965.db2.gz RVNWTFMTPGSLMH-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1ccccc1[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541328276 562609489 /nfs/dbraw/zinc/60/94/89/562609489.db2.gz FCNRARYBUPOPLW-KRWDZBQOSA-N 1 1 364.423 2.000 20 5 FEBDMO COc1ccc(C)cc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541761344 562619295 /nfs/dbraw/zinc/61/92/95/562619295.db2.gz VTDMPYWGLWOECU-UHFFFAOYSA-N 1 1 364.423 2.475 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568340979 568026453 /nfs/dbraw/zinc/02/64/53/568026453.db2.gz ZUYZVPQLMQGPHO-OAHLLOKOSA-N 1 1 359.430 2.402 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1SC ZINC000570789063 568522456 /nfs/dbraw/zinc/52/24/56/568522456.db2.gz XXDDVAXTCNZXSK-QWRGUYRKSA-N 1 1 353.444 2.490 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1SC ZINC000570789063 568522457 /nfs/dbraw/zinc/52/24/57/568522457.db2.gz XXDDVAXTCNZXSK-QWRGUYRKSA-N 1 1 353.444 2.490 20 5 FEBDMO C[NH+](C)C1(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000556622065 674409123 /nfs/dbraw/zinc/40/91/23/674409123.db2.gz OAHYTEROWYIRQN-MRXNPFEDSA-N 1 1 351.447 2.189 20 5 FEBDMO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810040 674511195 /nfs/dbraw/zinc/51/11/95/674511195.db2.gz IUTCEPNGVGATMO-QMMMGPOBSA-N 1 1 368.242 2.274 20 5 FEBDMO C[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810040 674511198 /nfs/dbraw/zinc/51/11/98/674511198.db2.gz IUTCEPNGVGATMO-QMMMGPOBSA-N 1 1 368.242 2.274 20 5 FEBDMO C[C@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824562266 608563291 /nfs/dbraw/zinc/56/32/91/608563291.db2.gz DMIQXELOXAUYTG-NSHDSACASA-N 1 1 367.369 2.064 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811803440 674629443 /nfs/dbraw/zinc/62/94/43/674629443.db2.gz MLVOPYPJBMWHAJ-SNVBAGLBSA-N 1 1 354.363 2.432 20 5 FEBDMO CC(C)c1ccc(C(=O)NCCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000564198778 674982997 /nfs/dbraw/zinc/98/29/97/674982997.db2.gz BVYLMNJJDKUZKB-UHFFFAOYSA-N 1 1 350.463 2.332 20 5 FEBDMO CC(C)c1ccc(C(=O)NCCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000564198778 674983000 /nfs/dbraw/zinc/98/30/00/674983000.db2.gz BVYLMNJJDKUZKB-UHFFFAOYSA-N 1 1 350.463 2.332 20 5 FEBDMO Cc1ncc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001048607709 675011646 /nfs/dbraw/zinc/01/16/46/675011646.db2.gz IOEHNFKJQMJWJD-RRCSTGOVSA-N 1 1 366.487 2.129 20 5 FEBDMO C[C@H]1Oc2ccccc2[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565416962 675119834 /nfs/dbraw/zinc/11/98/34/675119834.db2.gz KXKHDQWNSFVHEC-PXAZEXFGSA-N 1 1 362.407 2.480 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000573518547 671132459 /nfs/dbraw/zinc/13/24/59/671132459.db2.gz GGGUNFCRUHFBNO-CQSZACIVSA-N 1 1 353.325 2.428 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000574324271 671226908 /nfs/dbraw/zinc/22/69/08/671226908.db2.gz LCAXFYKEFDYZFB-UHFFFAOYSA-N 1 1 350.419 2.343 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1)C1CC1 ZINC000608800244 675904298 /nfs/dbraw/zinc/90/42/98/675904298.db2.gz CZUGZDMXNXYMPG-UHFFFAOYSA-N 1 1 361.851 2.319 20 5 FEBDMO Cc1nn(CCC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000609346344 675919379 /nfs/dbraw/zinc/91/93/79/675919379.db2.gz CTWFMSIWZXOBMG-BETUJISGSA-N 1 1 351.451 2.177 20 5 FEBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000609441064 675922239 /nfs/dbraw/zinc/92/22/39/675922239.db2.gz BWJGYRHRYSFNFW-MRXNPFEDSA-N 1 1 351.378 2.061 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000579853133 671765924 /nfs/dbraw/zinc/76/59/24/671765924.db2.gz DBSDWIGGUYYZMV-QWHCGFSZSA-N 1 1 352.410 2.099 20 5 FEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[C@@H](C)C[N@H+]1C ZINC000579853132 671766011 /nfs/dbraw/zinc/76/60/11/671766011.db2.gz DBSDWIGGUYYZMV-OLZOCXBDSA-N 1 1 352.410 2.099 20 5 FEBDMO CN(c1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000580791331 671833935 /nfs/dbraw/zinc/83/39/35/671833935.db2.gz KIEJQCRWSTVSKI-FUNVUKJBSA-N 1 1 353.444 2.060 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213847 675959687 /nfs/dbraw/zinc/95/96/87/675959687.db2.gz WJYGSDVOTBPONN-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213847 675959688 /nfs/dbraw/zinc/95/96/88/675959688.db2.gz WJYGSDVOTBPONN-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000125473024 672012483 /nfs/dbraw/zinc/01/24/83/672012483.db2.gz BJTBGYPSSNYYJS-NSHDSACASA-N 1 1 361.851 2.177 20 5 FEBDMO CN1CCC(CNc2ncc([N+](=O)[O-])cc2F)([NH+]2CCCCC2)CC1 ZINC000584099947 672155507 /nfs/dbraw/zinc/15/55/07/672155507.db2.gz WMHPUNAVDGCGJA-UHFFFAOYSA-N 1 1 351.426 2.491 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611087584 676016309 /nfs/dbraw/zinc/01/63/09/676016309.db2.gz VWXMAUGGAVHMSI-NSHDSACASA-N 1 1 353.444 2.492 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611087584 676016311 /nfs/dbraw/zinc/01/63/11/676016311.db2.gz VWXMAUGGAVHMSI-NSHDSACASA-N 1 1 353.444 2.492 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000589501402 672529321 /nfs/dbraw/zinc/52/93/21/672529321.db2.gz MJVOUVUQHJHHHM-GJZGRUSLSA-N 1 1 352.412 2.088 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000589501402 672529323 /nfs/dbraw/zinc/52/93/23/672529323.db2.gz MJVOUVUQHJHHHM-GJZGRUSLSA-N 1 1 352.412 2.088 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000590165410 672563026 /nfs/dbraw/zinc/56/30/26/672563026.db2.gz RVAOPKKDJWDKPV-KRWDZBQOSA-N 1 1 367.471 2.318 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590925482 672632993 /nfs/dbraw/zinc/63/29/93/672632993.db2.gz GWJDPNKHOYRBBT-AWEZNQCLSA-N 1 1 350.419 2.005 20 5 FEBDMO CCc1noc(C)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591768631 672709297 /nfs/dbraw/zinc/70/92/97/672709297.db2.gz IAAIAZQBHTWVHZ-UHFFFAOYSA-N 1 1 353.400 2.017 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000194214211 672752597 /nfs/dbraw/zinc/75/25/97/672752597.db2.gz GPIMMKGEOJBCAF-ZDUSSCGKSA-N 1 1 370.475 2.309 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)CO1 ZINC000593062661 672870333 /nfs/dbraw/zinc/87/03/33/672870333.db2.gz QOVGCOZSLKHHBA-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO COCCOCC[NH+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000593118179 672878697 /nfs/dbraw/zinc/87/86/97/672878697.db2.gz SMCDFBXYBMXVMA-MRXNPFEDSA-N 1 1 351.447 2.245 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594483234 673087492 /nfs/dbraw/zinc/08/74/92/673087492.db2.gz DKKNWRFFNVFAHC-HOTGVXAUSA-N 1 1 353.444 2.031 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000594483755 673087874 /nfs/dbraw/zinc/08/78/74/673087874.db2.gz PEBSZJHJPCASEI-JKSUJKDBSA-N 1 1 353.444 2.031 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484926 673088614 /nfs/dbraw/zinc/08/86/14/673088614.db2.gz YCUIECZGBCMNTJ-UONOGXRCSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594485005 673089011 /nfs/dbraw/zinc/08/90/11/673089011.db2.gz ZSVYZUUKXIISDF-LSDHHAIUSA-N 1 1 353.444 2.198 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594801799 673147800 /nfs/dbraw/zinc/14/78/00/673147800.db2.gz SKAWDPBYUVWCEO-NSHDSACASA-N 1 1 361.851 2.399 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CCN1CCN(C)CC1 ZINC000595031723 673187767 /nfs/dbraw/zinc/18/77/67/673187767.db2.gz CBMXTMCEHJWUGG-LSDHHAIUSA-N 1 1 350.463 2.280 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCC3CCC3)CC2)cc1 ZINC000595289941 673217119 /nfs/dbraw/zinc/21/71/19/673217119.db2.gz ROYSHEZFKUCQJZ-UHFFFAOYSA-N 1 1 353.444 2.091 20 5 FEBDMO COCCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595293960 673218078 /nfs/dbraw/zinc/21/80/78/673218078.db2.gz VNFXXEZWWAYQDA-UHFFFAOYSA-N 1 1 353.394 2.099 20 5 FEBDMO COc1cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])cc1F ZINC000613286096 676121672 /nfs/dbraw/zinc/12/16/72/676121672.db2.gz GMSWYRXWRWVBKG-CQSZACIVSA-N 1 1 353.394 2.039 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)c1 ZINC000595817710 673327821 /nfs/dbraw/zinc/32/78/21/673327821.db2.gz BKNFAUKRIIHIJI-SMDDNHRTSA-N 1 1 350.371 2.012 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H](C)C2)c1 ZINC000595817710 673327823 /nfs/dbraw/zinc/32/78/23/673327823.db2.gz BKNFAUKRIIHIJI-SMDDNHRTSA-N 1 1 350.371 2.012 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596085181 673357079 /nfs/dbraw/zinc/35/70/79/673357079.db2.gz CKYTXIFJSXPRGX-FRRDWIJNSA-N 1 1 370.475 2.021 20 5 FEBDMO C[NH+]1CCC(N2CCC(Nc3c(Cl)cncc3[N+](=O)[O-])CC2)CC1 ZINC000596102799 673359097 /nfs/dbraw/zinc/35/90/97/673359097.db2.gz QXJKNLSCPHRMQO-UHFFFAOYSA-N 1 1 353.854 2.036 20 5 FEBDMO COC(=O)c1c(Cl)c(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000596167556 673364642 /nfs/dbraw/zinc/36/46/42/673364642.db2.gz KPQPTDFFPGKLGG-CABZTGNLSA-N 1 1 357.794 2.166 20 5 FEBDMO COC(=O)c1c(Cl)c(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000596167556 673364644 /nfs/dbraw/zinc/36/46/44/673364644.db2.gz KPQPTDFFPGKLGG-CABZTGNLSA-N 1 1 357.794 2.166 20 5 FEBDMO COCC[N@@H+](C)CCCC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596176197 673365222 /nfs/dbraw/zinc/36/52/22/673365222.db2.gz AOLQEOIAKQEHQA-UHFFFAOYSA-N 1 1 351.451 2.147 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCSC3(CCOCC3)C1)OCCO2 ZINC000613743093 676144573 /nfs/dbraw/zinc/14/45/73/676144573.db2.gz ADJJVDSCEYBGLF-UHFFFAOYSA-N 1 1 366.439 2.464 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCSC3(CCOCC3)C1)OCCO2 ZINC000613743093 676144574 /nfs/dbraw/zinc/14/45/74/676144574.db2.gz ADJJVDSCEYBGLF-UHFFFAOYSA-N 1 1 366.439 2.464 20 5 FEBDMO C[NH+]1CCN(CC2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C2)CC1 ZINC000599104868 673633751 /nfs/dbraw/zinc/63/37/51/673633751.db2.gz GHPGCEIWBMUJIU-UHFFFAOYSA-N 1 1 358.364 2.297 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543644507 673658546 /nfs/dbraw/zinc/65/85/46/673658546.db2.gz LIUHWPSLPDQHOT-ZDUSSCGKSA-N 1 1 354.382 2.212 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599414946 673672773 /nfs/dbraw/zinc/67/27/73/673672773.db2.gz KSUANNAFPVYUFR-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000599416906 673672975 /nfs/dbraw/zinc/67/29/75/673672975.db2.gz YNLIALATRLASIJ-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)c1 ZINC000599542968 673689864 /nfs/dbraw/zinc/68/98/64/673689864.db2.gz ILIXFFOAYFPBTL-INIZCTEOSA-N 1 1 350.415 2.227 20 5 FEBDMO CC[N@@H+]1CC[C@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146632 673694187 /nfs/dbraw/zinc/69/41/87/673694187.db2.gz TZRAOYMDCVNBJM-HRCADAONSA-N 1 1 351.447 2.139 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146632 673694189 /nfs/dbraw/zinc/69/41/89/673694189.db2.gz TZRAOYMDCVNBJM-HRCADAONSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146632 673694191 /nfs/dbraw/zinc/69/41/91/673694191.db2.gz TZRAOYMDCVNBJM-HRCADAONSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146632 673694193 /nfs/dbraw/zinc/69/41/93/673694193.db2.gz TZRAOYMDCVNBJM-HRCADAONSA-N 1 1 351.447 2.139 20 5 FEBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000544628027 673721830 /nfs/dbraw/zinc/72/18/30/673721830.db2.gz TVYUHJBUZVJZMO-CQSZACIVSA-N 1 1 366.487 2.071 20 5 FEBDMO C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411479 673726991 /nfs/dbraw/zinc/72/69/91/673726991.db2.gz FUCJZKOVHVHKJG-UWVGGRQHSA-N 1 1 363.386 2.486 20 5 FEBDMO C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000742411479 673726992 /nfs/dbraw/zinc/72/69/92/673726992.db2.gz FUCJZKOVHVHKJG-UWVGGRQHSA-N 1 1 363.386 2.486 20 5 FEBDMO C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411476 673727062 /nfs/dbraw/zinc/72/70/62/673727062.db2.gz FUCJZKOVHVHKJG-NXEZZACHSA-N 1 1 363.386 2.486 20 5 FEBDMO C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000742411476 673727063 /nfs/dbraw/zinc/72/70/63/673727063.db2.gz FUCJZKOVHVHKJG-NXEZZACHSA-N 1 1 363.386 2.486 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743393318 673758176 /nfs/dbraw/zinc/75/81/76/673758176.db2.gz NIGKRYRJUDTGJY-NSHDSACASA-N 1 1 360.256 2.175 20 5 FEBDMO CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600535603 673777270 /nfs/dbraw/zinc/77/72/70/673777270.db2.gz QSZUWUNGCMBZSP-CQSZACIVSA-N 1 1 367.471 2.283 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000546776436 673817541 /nfs/dbraw/zinc/81/75/41/673817541.db2.gz FNKUMNSTYORHAG-ZFWWWQNUSA-N 1 1 355.460 2.229 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000601363241 673848929 /nfs/dbraw/zinc/84/89/29/673848929.db2.gz VVDKXPFTFSHMKX-CYBMUJFWSA-N 1 1 373.500 2.317 20 5 FEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCCS1(=O)=O ZINC000602571465 673907912 /nfs/dbraw/zinc/90/79/12/673907912.db2.gz MYNNJUOFEVDCHX-LLVKDONJSA-N 1 1 352.334 2.280 20 5 FEBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602769050 673910765 /nfs/dbraw/zinc/91/07/65/673910765.db2.gz LYBNVVQYBVDOHQ-HIFRSBDPSA-N 1 1 351.451 2.117 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)c1 ZINC000602884156 673912788 /nfs/dbraw/zinc/91/27/88/673912788.db2.gz VJVCOBCBYWRZRK-KRWDZBQOSA-N 1 1 351.472 2.235 20 5 FEBDMO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1CCO ZINC000824926479 675629222 /nfs/dbraw/zinc/62/92/22/675629222.db2.gz OYPKKFLEUCRCQD-TXEJJXNPSA-N 1 1 372.263 2.244 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827515408 675761469 /nfs/dbraw/zinc/76/14/69/675761469.db2.gz FWBMGNGAIXUVNJ-UHFFFAOYSA-N 1 1 368.865 2.396 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000829114152 675864951 /nfs/dbraw/zinc/86/49/51/675864951.db2.gz WCKCDLVDEMHTBQ-YHWZYXNKSA-N 1 1 350.375 2.341 20 5 FEBDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000616128688 676240254 /nfs/dbraw/zinc/24/02/54/676240254.db2.gz RDLQTQSBDNWUDR-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000616128688 676240255 /nfs/dbraw/zinc/24/02/55/676240255.db2.gz RDLQTQSBDNWUDR-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000618473071 676341128 /nfs/dbraw/zinc/34/11/28/676341128.db2.gz JGCUGAGZFBMDCO-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000618473071 676341130 /nfs/dbraw/zinc/34/11/30/676341130.db2.gz JGCUGAGZFBMDCO-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C ZINC000619486215 676380356 /nfs/dbraw/zinc/38/03/56/676380356.db2.gz ZJAQNNQNPCQSQZ-OLZOCXBDSA-N 1 1 371.459 2.097 20 5 FEBDMO CN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830150772 677027711 /nfs/dbraw/zinc/02/77/11/677027711.db2.gz NFVIVXVSIWNVHQ-MRVPVSSYSA-N 1 1 368.242 2.274 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830185010 677029252 /nfs/dbraw/zinc/02/92/52/677029252.db2.gz UDSHSUXDEOPUEW-UHFFFAOYSA-N 1 1 368.242 2.274 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c(OC(F)F)c1 ZINC000760453588 680688182 /nfs/dbraw/zinc/68/81/82/680688182.db2.gz GKWKYCGOFRJWCI-CYBMUJFWSA-N 1 1 357.357 2.497 20 5 FEBDMO C[C@@H]1CSCC[N@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840056819 680795615 /nfs/dbraw/zinc/79/56/15/680795615.db2.gz WVPXXGGWEODCKW-LRDDRELGSA-N 1 1 351.428 2.174 20 5 FEBDMO C[C@@H]1CSCC[N@@H+](CN2C(=O)C[C@@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840056819 680795617 /nfs/dbraw/zinc/79/56/17/680795617.db2.gz WVPXXGGWEODCKW-LRDDRELGSA-N 1 1 351.428 2.174 20 5 FEBDMO CC[N@@H+](CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000831076067 679917857 /nfs/dbraw/zinc/91/78/57/679917857.db2.gz XKEZVGADWRMYJO-CYBMUJFWSA-N 1 1 363.336 2.019 20 5 FEBDMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCC1(C)C ZINC000874095637 685294101 /nfs/dbraw/zinc/29/41/01/685294101.db2.gz VOUFCLDHBNQMDQ-UHFFFAOYSA-N 1 1 368.821 2.129 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000832761074 680173771 /nfs/dbraw/zinc/17/37/71/680173771.db2.gz HODOZFSENQMJGE-GFCCVEGCSA-N 1 1 361.851 2.351 20 5 FEBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2c(F)cccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983650548 680317620 /nfs/dbraw/zinc/31/76/20/680317620.db2.gz WAXSIQKPZOMHAH-UYUMYWFVSA-N 1 1 355.797 2.129 20 5 FEBDMO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)s1 ZINC000997776482 680365903 /nfs/dbraw/zinc/36/59/03/680365903.db2.gz OLAKPIHTDNPBRM-HZPDHXFCSA-N 1 1 351.472 2.358 20 5 FEBDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000835941060 680401263 /nfs/dbraw/zinc/40/12/63/680401263.db2.gz LCULDJNTIFXWIO-LLVKDONJSA-N 1 1 368.821 2.129 20 5 FEBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000755814530 680438163 /nfs/dbraw/zinc/43/81/63/680438163.db2.gz IXIQUZRTEVNVOH-JTQLQIEISA-N 1 1 356.220 2.062 20 5 FEBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000755814530 680438166 /nfs/dbraw/zinc/43/81/66/680438166.db2.gz IXIQUZRTEVNVOH-JTQLQIEISA-N 1 1 356.220 2.062 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)c(C)cc3[N+](=O)[O-])[C@H]2C1 ZINC000836789882 680514333 /nfs/dbraw/zinc/51/43/33/680514333.db2.gz CYCFSSNAGZMACC-JKSUJKDBSA-N 1 1 367.833 2.492 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000766205822 680870164 /nfs/dbraw/zinc/87/01/64/680870164.db2.gz ACRAZKRPEMRLEY-GFCCVEGCSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000766205822 680870166 /nfs/dbraw/zinc/87/01/66/680870166.db2.gz ACRAZKRPEMRLEY-GFCCVEGCSA-N 1 1 357.407 2.029 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000767123232 680900234 /nfs/dbraw/zinc/90/02/34/680900234.db2.gz MYLSMGAYFOHINZ-CQSZACIVSA-N 1 1 353.394 2.307 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000767123232 680900236 /nfs/dbraw/zinc/90/02/36/680900236.db2.gz MYLSMGAYFOHINZ-CQSZACIVSA-N 1 1 353.394 2.307 20 5 FEBDMO C[N@@H+]1CCO[C@@H](CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000842652713 680957241 /nfs/dbraw/zinc/95/72/41/680957241.db2.gz XGZGKBLBQWXVIP-LLVKDONJSA-N 1 1 359.835 2.251 20 5 FEBDMO C[N@H+]1CCO[C@@H](CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000842652713 680957243 /nfs/dbraw/zinc/95/72/43/680957243.db2.gz XGZGKBLBQWXVIP-LLVKDONJSA-N 1 1 359.835 2.251 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000843867504 681022860 /nfs/dbraw/zinc/02/28/60/681022860.db2.gz KZICMEIJLGLNOZ-LBPRGKRZSA-N 1 1 353.394 2.273 20 5 FEBDMO COCCOCC[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000844468529 681060902 /nfs/dbraw/zinc/06/09/02/681060902.db2.gz VCVBRGJOSFJYBH-UHFFFAOYSA-N 1 1 357.838 2.029 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932150181 681184337 /nfs/dbraw/zinc/18/43/37/681184337.db2.gz OFBVLGGGYPVRLX-ZDUSSCGKSA-N 1 1 369.849 2.408 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000912714883 685424118 /nfs/dbraw/zinc/42/41/18/685424118.db2.gz IOCUPRLPKDTTEY-GFCCVEGCSA-N 1 1 371.796 2.059 20 5 FEBDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932928618 681330048 /nfs/dbraw/zinc/33/00/48/681330048.db2.gz PRSCDATVXWBKLG-HOCLYGCPSA-N 1 1 350.444 2.311 20 5 FEBDMO CS(=O)(=O)C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605224 681414957 /nfs/dbraw/zinc/41/49/57/681414957.db2.gz JNUQQFXWIJQGGC-IRXDYDNUSA-N 1 1 364.423 2.004 20 5 FEBDMO CC[N@@H+](CCC(=O)NC)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000933869522 681477041 /nfs/dbraw/zinc/47/70/41/681477041.db2.gz XNUHSNRYHKOIAZ-UHFFFAOYSA-N 1 1 361.345 2.163 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCN(C)CC[N@@H+](C)CC1 ZINC000933996110 681495208 /nfs/dbraw/zinc/49/52/08/681495208.db2.gz LBZIPBXNJWVMMM-UHFFFAOYSA-N 1 1 350.463 2.061 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777800351 681531537 /nfs/dbraw/zinc/53/15/37/681531537.db2.gz PCBYMXDNZZFWPR-QWRGUYRKSA-N 1 1 363.443 2.450 20 5 FEBDMO Cc1cccc(NCCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[nH+]1 ZINC000778287886 681593044 /nfs/dbraw/zinc/59/30/44/681593044.db2.gz FXEQZLWMLGCZHZ-UHFFFAOYSA-N 1 1 358.383 2.145 20 5 FEBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[NH+](CCCCCO)CC1 ZINC000913691570 685482285 /nfs/dbraw/zinc/48/22/85/685482285.db2.gz BYQJSNGGPVLOPV-UHFFFAOYSA-N 1 1 355.822 2.169 20 5 FEBDMO COCC[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@H]1CCOC1 ZINC000782963570 682098894 /nfs/dbraw/zinc/09/88/94/682098894.db2.gz QTVSBQVJSFOJRM-LBPRGKRZSA-N 1 1 354.794 2.293 20 5 FEBDMO COCC[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@H]1CCOC1 ZINC000782963570 682098901 /nfs/dbraw/zinc/09/89/01/682098901.db2.gz QTVSBQVJSFOJRM-LBPRGKRZSA-N 1 1 354.794 2.293 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000917656177 685533577 /nfs/dbraw/zinc/53/35/77/685533577.db2.gz XOSXWZVGGJKKOP-VXGBXAGGSA-N 1 1 373.862 2.462 20 5 FEBDMO COC(=O)N(C)CC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852568584 682300841 /nfs/dbraw/zinc/30/08/41/682300841.db2.gz KCDAHVPRLRBLFO-UHFFFAOYSA-N 1 1 360.208 2.487 20 5 FEBDMO COC(=O)N(C)CC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000852568584 682300847 /nfs/dbraw/zinc/30/08/47/682300847.db2.gz KCDAHVPRLRBLFO-UHFFFAOYSA-N 1 1 360.208 2.487 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000786787327 682405307 /nfs/dbraw/zinc/40/53/07/682405307.db2.gz CBEBJFZSQWQKMV-CQSZACIVSA-N 1 1 367.471 2.166 20 5 FEBDMO Cc1ccc(N2CC(C[NH+]3CCOCC3)C2)c([N+](=O)[O-])c1Br ZINC000853640840 682450880 /nfs/dbraw/zinc/45/08/80/682450880.db2.gz RMSDUCKIDPCFDA-UHFFFAOYSA-N 1 1 370.247 2.434 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000854639582 682574070 /nfs/dbraw/zinc/57/40/70/682574070.db2.gz COMLDTARUGXDSK-GJZGRUSLSA-N 1 1 353.806 2.183 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000854639589 682574123 /nfs/dbraw/zinc/57/41/23/682574123.db2.gz COMLDTARUGXDSK-LSDHHAIUSA-N 1 1 353.806 2.183 20 5 FEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000854740008 682588131 /nfs/dbraw/zinc/58/81/31/682588131.db2.gz ZGMACXLVQYFPHP-QGZVFWFLSA-N 1 1 351.378 2.057 20 5 FEBDMO C[C@@H](C[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000860096257 683201434 /nfs/dbraw/zinc/20/14/34/683201434.db2.gz VVADICQQQRBVAV-WFASDCNBSA-N 1 1 353.419 2.473 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000919842210 683302557 /nfs/dbraw/zinc/30/25/57/683302557.db2.gz ONQQTLQIUMQINC-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000919842210 683302559 /nfs/dbraw/zinc/30/25/59/683302559.db2.gz ONQQTLQIUMQINC-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000920704670 683362176 /nfs/dbraw/zinc/36/21/76/683362176.db2.gz UZKDREGZKJNCGK-ZDUSSCGKSA-N 1 1 370.427 2.030 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc([N+](=O)[O-])c1C ZINC000928086566 683376441 /nfs/dbraw/zinc/37/64/41/683376441.db2.gz PQRHNJJRMSXFQQ-DZGCQCFKSA-N 1 1 365.455 2.221 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc([N+](=O)[O-])c1C ZINC000928086566 683376451 /nfs/dbraw/zinc/37/64/51/683376451.db2.gz PQRHNJJRMSXFQQ-DZGCQCFKSA-N 1 1 365.455 2.221 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928100793 683391475 /nfs/dbraw/zinc/39/14/75/683391475.db2.gz ZPHPTTFULYVRAV-HOCLYGCPSA-N 1 1 364.471 2.093 20 5 FEBDMO O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928102819 683393300 /nfs/dbraw/zinc/39/33/00/683393300.db2.gz OBKDSVLCCMVHTE-GXTWGEPZSA-N 1 1 367.496 2.383 20 5 FEBDMO O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928102819 683393307 /nfs/dbraw/zinc/39/33/07/683393307.db2.gz OBKDSVLCCMVHTE-GXTWGEPZSA-N 1 1 367.496 2.383 20 5 FEBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347726 683394240 /nfs/dbraw/zinc/39/42/40/683394240.db2.gz LLBCLLOYGWXQHN-BTJLNZGRSA-N 1 1 354.378 2.490 20 5 FEBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861713520 683459990 /nfs/dbraw/zinc/45/99/90/683459990.db2.gz DBFXWKFYAVMWHH-QWRGUYRKSA-N 1 1 374.224 2.183 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000862214040 683550831 /nfs/dbraw/zinc/55/08/31/683550831.db2.gz CDYYXUITXQPONP-UHFFFAOYSA-N 1 1 367.833 2.493 20 5 FEBDMO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000866226478 684084650 /nfs/dbraw/zinc/08/46/50/684084650.db2.gz LLFJMLIOHHZTJP-CQSZACIVSA-N 1 1 352.454 2.281 20 5 FEBDMO CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000866414547 684100676 /nfs/dbraw/zinc/10/06/76/684100676.db2.gz PITHJBRDXFILPM-ZFWWWQNUSA-N 1 1 351.447 2.489 20 5 FEBDMO CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000866414547 684100678 /nfs/dbraw/zinc/10/06/78/684100678.db2.gz PITHJBRDXFILPM-ZFWWWQNUSA-N 1 1 351.447 2.489 20 5 FEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931607890 684312482 /nfs/dbraw/zinc/31/24/82/684312482.db2.gz OPLGLZSNQRJBFX-GXTWGEPZSA-N 1 1 354.407 2.435 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000867812316 684397076 /nfs/dbraw/zinc/39/70/76/684397076.db2.gz JORMSFLECSCYMW-WCQYABFASA-N 1 1 373.862 2.271 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872665573 685001132 /nfs/dbraw/zinc/00/11/32/685001132.db2.gz QVDYEELIHJSLEE-CABCVRRESA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872665573 685001134 /nfs/dbraw/zinc/00/11/34/685001134.db2.gz QVDYEELIHJSLEE-CABCVRRESA-N 1 1 353.444 2.014 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000872665528 685001285 /nfs/dbraw/zinc/00/12/85/685001285.db2.gz ZYIGCYBVEIYEBB-STQMWFEESA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000872665528 685001286 /nfs/dbraw/zinc/00/12/86/685001286.db2.gz ZYIGCYBVEIYEBB-STQMWFEESA-N 1 1 373.862 2.414 20 5 FEBDMO CC1(C)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000880500144 687054505 /nfs/dbraw/zinc/05/45/05/687054505.db2.gz TYERAJTXSKGHCY-GJZGRUSLSA-N 1 1 367.833 2.477 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000880500181 687054613 /nfs/dbraw/zinc/05/46/13/687054613.db2.gz UDVLVABYHCFDDJ-HUUCEWRRSA-N 1 1 367.833 2.477 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880586379 687063058 /nfs/dbraw/zinc/06/30/58/687063058.db2.gz OYZUOAVMOOHQEE-INIZCTEOSA-N 1 1 350.415 2.357 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000881936264 687265378 /nfs/dbraw/zinc/26/53/78/687265378.db2.gz ZFKSJGJXMIXVBJ-GHMZBOCLSA-N 1 1 361.851 2.318 20 5 FEBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000882181419 687318413 /nfs/dbraw/zinc/31/84/13/687318413.db2.gz GQGLQQNLXQLPSQ-JTQLQIEISA-N 1 1 360.183 2.017 20 5 FEBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000882181419 687318418 /nfs/dbraw/zinc/31/84/18/687318418.db2.gz GQGLQQNLXQLPSQ-JTQLQIEISA-N 1 1 360.183 2.017 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000888285154 688577090 /nfs/dbraw/zinc/57/70/90/688577090.db2.gz VXBRVBKKMLDIJP-HZMBPMFUSA-N 1 1 356.810 2.397 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000888285154 688577091 /nfs/dbraw/zinc/57/70/91/688577091.db2.gz VXBRVBKKMLDIJP-HZMBPMFUSA-N 1 1 356.810 2.397 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCOCC1 ZINC000888289476 688578348 /nfs/dbraw/zinc/57/83/48/688578348.db2.gz BDTZXPGWWQDHOO-UHFFFAOYSA-N 1 1 356.810 2.400 20 5 FEBDMO CN1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[N@@H+](C)CC1 ZINC000897095683 689974587 /nfs/dbraw/zinc/97/45/87/689974587.db2.gz VIMJXUGGLOPNQL-UHFFFAOYSA-N 1 1 361.471 2.402 20 5 FEBDMO COc1cc([C@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903154495 690856969 /nfs/dbraw/zinc/85/69/69/690856969.db2.gz ZHZFGNIIUMNSES-GJZGRUSLSA-N 1 1 350.463 2.280 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1[O-] ZINC000903975258 690990814 /nfs/dbraw/zinc/99/08/14/690990814.db2.gz ZYVABHDSBUPXOT-CYBMUJFWSA-N 1 1 355.822 2.202 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000906666194 691299392 /nfs/dbraw/zinc/29/93/92/691299392.db2.gz IMXKMVJUPOKZBI-UHFFFAOYSA-N 1 1 365.821 2.297 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000907519628 691508416 /nfs/dbraw/zinc/50/84/16/691508416.db2.gz QRTWBIGFMCIOSB-STQMWFEESA-N 1 1 369.849 2.094 20 5 FEBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626979 719054418 /nfs/dbraw/zinc/05/44/18/719054418.db2.gz SSRHCYMPRRFRHS-WMZOPIPTSA-N 1 1 354.410 2.329 20 5 FEBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC001164643072 719158787 /nfs/dbraw/zinc/15/87/87/719158787.db2.gz ZHGZTSMHPFTXPN-UWVGGRQHSA-N 1 1 356.810 2.349 20 5 FEBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC001164643072 719158792 /nfs/dbraw/zinc/15/87/92/719158792.db2.gz ZHGZTSMHPFTXPN-UWVGGRQHSA-N 1 1 356.810 2.349 20 5 FEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(C)c1[N+](=O)[O-])C2 ZINC001164813581 720088742 /nfs/dbraw/zinc/08/87/42/720088742.db2.gz TYCSHDPPJKJERR-APWZRJJASA-N 1 1 360.458 2.483 20 5 FEBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1N)[C@@H]2C ZINC001164858144 720997092 /nfs/dbraw/zinc/99/70/92/720997092.db2.gz IBBFSQWLYGUKDR-GFCCVEGCSA-N 1 1 359.434 2.190 20 5 FEBDMO COc1cnc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164790751 721407401 /nfs/dbraw/zinc/40/74/01/721407401.db2.gz XWXXRQIHWVPDOY-VXGBXAGGSA-N 1 1 361.427 2.023 20 5 FEBDMO O=[N+]([O-])c1c[nH]c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc21 ZINC001164786229 721416533 /nfs/dbraw/zinc/41/65/33/721416533.db2.gz OELBYWPKPCLZRQ-VXGBXAGGSA-N 1 1 370.438 2.496 20 5 FEBDMO O=[N+]([O-])c1c[nH]c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc21 ZINC001164786227 721416612 /nfs/dbraw/zinc/41/66/12/721416612.db2.gz OELBYWPKPCLZRQ-RYUDHWBXSA-N 1 1 370.438 2.496 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164930997 721889054 /nfs/dbraw/zinc/88/90/54/721889054.db2.gz DYLNFQHOSTXXTN-MSOLQXFVSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nccc2cc([N+](=O)[O-])ccc21 ZINC001164930997 721889057 /nfs/dbraw/zinc/88/90/57/721889057.db2.gz DYLNFQHOSTXXTN-MSOLQXFVSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000010505895 539517562 /nfs/dbraw/zinc/51/75/62/539517562.db2.gz KOGHEQOFWPNINB-INIZCTEOSA-N 1 1 367.402 2.315 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000550141820 674083406 /nfs/dbraw/zinc/08/34/06/674083406.db2.gz JZFTYJOWIAMZGX-IAGOWNOFSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC[C@H]2CC2CCC2)c1 ZINC000550141820 674083409 /nfs/dbraw/zinc/08/34/09/674083409.db2.gz JZFTYJOWIAMZGX-IAGOWNOFSA-N 1 1 350.415 2.226 20 5 FEBDMO CCC(CC)C[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000039973399 540003079 /nfs/dbraw/zinc/00/30/79/540003079.db2.gz HHTUNOAIAGKSFQ-UHFFFAOYSA-N 1 1 355.460 2.337 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000041362404 540017943 /nfs/dbraw/zinc/01/79/43/540017943.db2.gz KSCJWHJCTWYJIW-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000041823302 540034921 /nfs/dbraw/zinc/03/49/21/540034921.db2.gz UYGINODUFVXLRX-CQSZACIVSA-N 1 1 360.414 2.163 20 5 FEBDMO Cc1c(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000043347318 540098449 /nfs/dbraw/zinc/09/84/49/540098449.db2.gz BWTIZXQREITAHE-INIZCTEOSA-N 1 1 350.419 2.382 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052247561 540460179 /nfs/dbraw/zinc/46/01/79/540460179.db2.gz KUTUNPVTBQHOQM-CYBMUJFWSA-N 1 1 370.475 2.166 20 5 FEBDMO C[N@@H+](CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000054265602 540579234 /nfs/dbraw/zinc/57/92/34/540579234.db2.gz RYRRLTSEUBARJQ-UHFFFAOYSA-N 1 1 353.382 2.333 20 5 FEBDMO C[N@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000054265602 540579238 /nfs/dbraw/zinc/57/92/38/540579238.db2.gz RYRRLTSEUBARJQ-UHFFFAOYSA-N 1 1 353.382 2.333 20 5 FEBDMO C[N@@H+](CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000054265602 540579241 /nfs/dbraw/zinc/57/92/41/540579241.db2.gz RYRRLTSEUBARJQ-UHFFFAOYSA-N 1 1 353.382 2.333 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000062229455 541145755 /nfs/dbraw/zinc/14/57/55/541145755.db2.gz VUKXZNNDCYWFBG-QGZVFWFLSA-N 1 1 371.441 2.210 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066327221 541302323 /nfs/dbraw/zinc/30/23/23/541302323.db2.gz RYZSDZZMKDGFPU-LBPRGKRZSA-N 1 1 355.441 2.238 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067145816 541424061 /nfs/dbraw/zinc/42/40/61/541424061.db2.gz IACPMTXSLCPGIM-UONOGXRCSA-N 1 1 372.429 2.026 20 5 FEBDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000067244557 541435615 /nfs/dbraw/zinc/43/56/15/541435615.db2.gz GMVJTUVIPRJKJH-LBPRGKRZSA-N 1 1 367.452 2.338 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000068037564 541540850 /nfs/dbraw/zinc/54/08/50/541540850.db2.gz IHJWSLKPMBGATA-OAHLLOKOSA-N 1 1 361.423 2.148 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000068037564 541540852 /nfs/dbraw/zinc/54/08/52/541540852.db2.gz IHJWSLKPMBGATA-OAHLLOKOSA-N 1 1 361.423 2.148 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000068037557 541540922 /nfs/dbraw/zinc/54/09/22/541540922.db2.gz XBMLKVSFBQBGPA-OAHLLOKOSA-N 1 1 361.423 2.148 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000068037557 541540924 /nfs/dbraw/zinc/54/09/24/541540924.db2.gz XBMLKVSFBQBGPA-OAHLLOKOSA-N 1 1 361.423 2.148 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000068346388 541579799 /nfs/dbraw/zinc/57/97/99/541579799.db2.gz YJUWVXJWITYYDZ-UHFFFAOYSA-N 1 1 371.459 2.146 20 5 FEBDMO C[N@@H+](CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000069082930 541655257 /nfs/dbraw/zinc/65/52/57/541655257.db2.gz PMSVOEGMCMEUQJ-UHFFFAOYSA-N 1 1 372.425 2.405 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069074840 541654360 /nfs/dbraw/zinc/65/43/60/541654360.db2.gz ZKYMNYDILKULBT-AWEZNQCLSA-N 1 1 350.419 2.005 20 5 FEBDMO COc1cc(OCC(=O)NCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000069125894 541661167 /nfs/dbraw/zinc/66/11/67/541661167.db2.gz XNPXGZMTZLMSMN-AWEZNQCLSA-N 1 1 365.430 2.363 20 5 FEBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000069470100 541687882 /nfs/dbraw/zinc/68/78/82/541687882.db2.gz VTSUFUQCMYPAHB-CQSZACIVSA-N 1 1 362.430 2.290 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069554659 541696695 /nfs/dbraw/zinc/69/66/95/541696695.db2.gz ZNNSQCCCCMWZBZ-HNNXBMFYSA-N 1 1 374.441 2.447 20 5 FEBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069745997 541710499 /nfs/dbraw/zinc/71/04/99/541710499.db2.gz ORUXONWCFVEVSI-CYBMUJFWSA-N 1 1 367.833 2.433 20 5 FEBDMO CNC(=O)c1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665165 541847488 /nfs/dbraw/zinc/84/74/88/541847488.db2.gz BOXUVDARVCWMMD-OAHLLOKOSA-N 1 1 355.398 2.036 20 5 FEBDMO COc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1OC ZINC000072672867 541848391 /nfs/dbraw/zinc/84/83/91/541848391.db2.gz WSBQXKGIVKZYAD-UHFFFAOYSA-N 1 1 358.398 2.329 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000073102889 541918298 /nfs/dbraw/zinc/91/82/98/541918298.db2.gz FFFUUTYKNZRORL-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000073102889 541918302 /nfs/dbraw/zinc/91/83/02/541918302.db2.gz FFFUUTYKNZRORL-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000801528695 674133836 /nfs/dbraw/zinc/13/38/36/674133836.db2.gz VUJTXCCJQNYIHZ-SNVBAGLBSA-N 1 1 353.375 2.232 20 5 FEBDMO CC[NH+]1CCN(C(=O)Cc2ccc(Nc3ncccc3[N+](=O)[O-])cc2)CC1 ZINC000080247631 542578473 /nfs/dbraw/zinc/57/84/73/542578473.db2.gz DNOKVONFBCKPSS-UHFFFAOYSA-N 1 1 369.425 2.440 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000080693121 542602508 /nfs/dbraw/zinc/60/25/08/542602508.db2.gz OPWJVDOLHLBLRB-UHFFFAOYSA-N 1 1 353.329 2.256 20 5 FEBDMO CC(C)CCO[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000083247035 542696460 /nfs/dbraw/zinc/69/64/60/542696460.db2.gz YUKVHMFREUHJDX-FUHWJXTLSA-N 1 1 352.431 2.472 20 5 FEBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000802134108 674162896 /nfs/dbraw/zinc/16/28/96/674162896.db2.gz FBYZVMIXLYRQJO-GXTWGEPZSA-N 1 1 354.378 2.490 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])cc1OC ZINC000093870224 542943691 /nfs/dbraw/zinc/94/36/91/542943691.db2.gz LOFBZPOQDBKJOO-ZDUSSCGKSA-N 1 1 360.414 2.410 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000247435756 549333812 /nfs/dbraw/zinc/33/38/12/549333812.db2.gz PBHONBJCHGWFAV-WBMJQRKESA-N 1 1 363.414 2.184 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000103206335 543097006 /nfs/dbraw/zinc/09/70/06/543097006.db2.gz GIWHGFLHTKPOGG-NSHDSACASA-N 1 1 353.444 2.397 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000108605441 543297455 /nfs/dbraw/zinc/29/74/55/543297455.db2.gz VCKSCLDFEYQHHL-STQMWFEESA-N 1 1 363.414 2.232 20 5 FEBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110428449 543357364 /nfs/dbraw/zinc/35/73/64/543357364.db2.gz YHNUUSRIHRIVTF-GOSISDBHSA-N 1 1 367.409 2.346 20 5 FEBDMO Nc1ccc(N2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)c[nH+]1 ZINC000112077734 543429788 /nfs/dbraw/zinc/42/97/88/543429788.db2.gz UBNYQDLAOBDNRI-UHFFFAOYSA-N 1 1 350.382 2.447 20 5 FEBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](C2CC2)CC1 ZINC000116737606 543614200 /nfs/dbraw/zinc/61/42/00/543614200.db2.gz MOSBUSGPMREAFS-UHFFFAOYSA-N 1 1 353.806 2.324 20 5 FEBDMO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000122869513 543728339 /nfs/dbraw/zinc/72/83/39/543728339.db2.gz RRCYKHQFGYOPAK-PBHICJAKSA-N 1 1 357.414 2.337 20 5 FEBDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000122869513 543728341 /nfs/dbraw/zinc/72/83/41/543728341.db2.gz RRCYKHQFGYOPAK-PBHICJAKSA-N 1 1 357.414 2.337 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000123787602 543782863 /nfs/dbraw/zinc/78/28/63/543782863.db2.gz GZXLSNJULRQZDG-XJKSGUPXSA-N 1 1 357.414 2.335 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000123796609 543783342 /nfs/dbraw/zinc/78/33/42/543783342.db2.gz YLUIBPVBJBUCJQ-NSHDSACASA-N 1 1 359.473 2.260 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000123884576 543789166 /nfs/dbraw/zinc/78/91/66/543789166.db2.gz JKGSEGCUCUVKOE-UHFFFAOYSA-N 1 1 351.447 2.394 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000123884576 543789170 /nfs/dbraw/zinc/78/91/70/543789170.db2.gz JKGSEGCUCUVKOE-UHFFFAOYSA-N 1 1 351.447 2.394 20 5 FEBDMO CN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000125514327 543886798 /nfs/dbraw/zinc/88/67/98/543886798.db2.gz CVRVQJTZZPBBSP-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000125996127 543912847 /nfs/dbraw/zinc/91/28/47/543912847.db2.gz TZEJDXJYMDECSP-DZGCQCFKSA-N 1 1 357.414 2.111 20 5 FEBDMO C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938084 544081900 /nfs/dbraw/zinc/08/19/00/544081900.db2.gz KVEAIWADEZBDKG-GUYCJALGSA-N 1 1 364.421 2.479 20 5 FEBDMO C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938084 544081902 /nfs/dbraw/zinc/08/19/02/544081902.db2.gz KVEAIWADEZBDKG-GUYCJALGSA-N 1 1 364.421 2.479 20 5 FEBDMO C[N@@H+]1CCC[C@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938084 544081903 /nfs/dbraw/zinc/08/19/03/544081903.db2.gz KVEAIWADEZBDKG-GUYCJALGSA-N 1 1 364.421 2.479 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000128938084 544081905 /nfs/dbraw/zinc/08/19/05/544081905.db2.gz KVEAIWADEZBDKG-GUYCJALGSA-N 1 1 364.421 2.479 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000129175549 544094978 /nfs/dbraw/zinc/09/49/78/544094978.db2.gz CNJMXQYPGVEGLA-ZIAGYGMSSA-N 1 1 364.446 2.011 20 5 FEBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247499434 549345397 /nfs/dbraw/zinc/34/53/97/549345397.db2.gz LPBXRMLLINYBCB-BLLLJJGKSA-N 1 1 352.822 2.369 20 5 FEBDMO O=C1NC2(CCCC2)C(=O)N1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135238332 544338929 /nfs/dbraw/zinc/33/89/29/544338929.db2.gz RZHGPCNYMGQBOU-UHFFFAOYSA-N 1 1 372.425 2.424 20 5 FEBDMO O=C1NC2(CCCC2)C(=O)N1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135238332 544338931 /nfs/dbraw/zinc/33/89/31/544338931.db2.gz RZHGPCNYMGQBOU-UHFFFAOYSA-N 1 1 372.425 2.424 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135526810 544351034 /nfs/dbraw/zinc/35/10/34/544351034.db2.gz KIANFSXOAYDWNZ-JKSUJKDBSA-N 1 1 365.455 2.438 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1([NH+]2CCOCC2)CCCC1 ZINC000155187073 544999613 /nfs/dbraw/zinc/99/96/13/544999613.db2.gz OBUNAZGXTLSAMG-AWEZNQCLSA-N 1 1 362.430 2.062 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000803493087 674245985 /nfs/dbraw/zinc/24/59/85/674245985.db2.gz JDWLBMFJZKXXQS-SWLSCSKDSA-N 1 1 351.403 2.360 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000553280059 674250082 /nfs/dbraw/zinc/25/00/82/674250082.db2.gz QDGURRWEURAHFF-QWHCGFSZSA-N 1 1 350.419 2.760 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1C ZINC000553415370 674259868 /nfs/dbraw/zinc/25/98/68/674259868.db2.gz GJZFWPKMDRLXDS-OLZOCXBDSA-N 1 1 350.419 2.394 20 5 FEBDMO CNC(=O)[C@@H]([NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C(C)C ZINC000183684647 327830608 /nfs/dbraw/zinc/83/06/08/327830608.db2.gz MRSPSXGQARWBMX-ZDUSSCGKSA-N 1 1 361.345 2.065 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000188033169 328061708 /nfs/dbraw/zinc/06/17/08/328061708.db2.gz WHZBBFHXBHPOCJ-PXAZEXFGSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000188229165 328074650 /nfs/dbraw/zinc/07/46/50/328074650.db2.gz OJVJNYMPFVQLQH-ZIAGYGMSSA-N 1 1 355.460 2.135 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188644479 328101082 /nfs/dbraw/zinc/10/10/82/328101082.db2.gz LRMHBUAMNIMTJN-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000188644479 328101083 /nfs/dbraw/zinc/10/10/83/328101083.db2.gz LRMHBUAMNIMTJN-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000189220924 328135778 /nfs/dbraw/zinc/13/57/78/328135778.db2.gz YAXZEICVWGEWAT-GOSISDBHSA-N 1 1 359.426 2.375 20 5 FEBDMO CCC[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000189349177 328142252 /nfs/dbraw/zinc/14/22/52/328142252.db2.gz TXXKCEMYEPDJKG-ZDUSSCGKSA-N 1 1 371.459 2.098 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000189444838 328148838 /nfs/dbraw/zinc/14/88/38/328148838.db2.gz NZYXSTBTTGYTIY-CQSZACIVSA-N 1 1 366.462 2.298 20 5 FEBDMO O=C1C[C@@H]([NH+]2CCC([C@@H]3CCCO3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000190079848 328186494 /nfs/dbraw/zinc/18/64/94/328186494.db2.gz HRBZKDXPTNMDHQ-SJORKVTESA-N 1 1 373.409 2.118 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)(c3ccccc3Cl)CC2)c1 ZINC000193146145 328359650 /nfs/dbraw/zinc/35/96/50/328359650.db2.gz FNBPXLVDAOTAAN-UHFFFAOYSA-N 1 1 350.806 2.428 20 5 FEBDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193824731 328397251 /nfs/dbraw/zinc/39/72/51/328397251.db2.gz GWGDOHMGXVRMDM-CYBMUJFWSA-N 1 1 364.402 2.487 20 5 FEBDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193824731 328397252 /nfs/dbraw/zinc/39/72/52/328397252.db2.gz GWGDOHMGXVRMDM-CYBMUJFWSA-N 1 1 364.402 2.487 20 5 FEBDMO Cc1ccc([C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000010090548 324365837 /nfs/dbraw/zinc/36/58/37/324365837.db2.gz HPZNVEZJHIXWLC-INIZCTEOSA-N 1 1 363.439 2.484 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079557366 325096782 /nfs/dbraw/zinc/09/67/82/325096782.db2.gz GPNWVMOLHSESLC-RHSMWYFYSA-N 1 1 371.441 2.269 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081570357 325184662 /nfs/dbraw/zinc/18/46/62/325184662.db2.gz CBGBCQDTIMDSMD-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO Cc1cc(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000085457571 325255360 /nfs/dbraw/zinc/25/53/60/325255360.db2.gz IFUVLQLDOSZHDW-OKILXGFUSA-N 1 1 364.446 2.105 20 5 FEBDMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090511987 325361786 /nfs/dbraw/zinc/36/17/86/325361786.db2.gz OVSQEPMTGUDMKH-OAHLLOKOSA-N 1 1 370.409 2.107 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000090551961 325363518 /nfs/dbraw/zinc/36/35/18/325363518.db2.gz LVPRJXRBSHTMKK-LJQANCHMSA-N 1 1 371.437 2.480 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000119778994 326197174 /nfs/dbraw/zinc/19/71/74/326197174.db2.gz SNULBIQLCBMCQH-OAHLLOKOSA-N 1 1 371.441 2.488 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000119852302 326205220 /nfs/dbraw/zinc/20/52/20/326205220.db2.gz SKDOLHNTFJSKBI-DOMZBBRYSA-N 1 1 362.430 2.030 20 5 FEBDMO C[C@@H]1C[N@H+](CCCCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000120062509 326226391 /nfs/dbraw/zinc/22/63/91/326226391.db2.gz SNDQVZDEWPDRRF-OKILXGFUSA-N 1 1 367.421 2.282 20 5 FEBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000120840279 326292435 /nfs/dbraw/zinc/29/24/35/326292435.db2.gz ONLVMXRZBKSBBB-CQSZACIVSA-N 1 1 350.419 2.132 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000120915035 326298615 /nfs/dbraw/zinc/29/86/15/326298615.db2.gz BIBNLXLYNYYQCM-JSGCOSHPSA-N 1 1 355.460 2.172 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000121075577 326311430 /nfs/dbraw/zinc/31/14/30/326311430.db2.gz VJTRMDOAYWYXIR-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO Cc1sc(S(=O)(=O)N(C)CCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000125695873 326476293 /nfs/dbraw/zinc/47/62/93/326476293.db2.gz MLJVRCLUEJVFCE-UHFFFAOYSA-N 1 1 358.445 2.180 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000170734699 327096110 /nfs/dbraw/zinc/09/61/10/327096110.db2.gz HZBOWQDSWHSRSB-ZIAGYGMSSA-N 1 1 362.430 2.208 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000170734699 327096111 /nfs/dbraw/zinc/09/61/11/327096111.db2.gz HZBOWQDSWHSRSB-ZIAGYGMSSA-N 1 1 362.430 2.208 20 5 FEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170801682 327099891 /nfs/dbraw/zinc/09/98/91/327099891.db2.gz WPDGKJXSGVPUOG-LJQANCHMSA-N 1 1 369.421 2.409 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000171025907 327113384 /nfs/dbraw/zinc/11/33/84/327113384.db2.gz PAFVCTQOMOBELG-UMVBOHGHSA-N 1 1 362.430 2.012 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000171619096 327148674 /nfs/dbraw/zinc/14/86/74/327148674.db2.gz LADRVRJQHCENQR-CQSZACIVSA-N 1 1 357.414 2.391 20 5 FEBDMO Cc1sc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000172461998 327202853 /nfs/dbraw/zinc/20/28/53/327202853.db2.gz WLRNEBPPAMVXHU-UHFFFAOYSA-N 1 1 353.444 2.149 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000172619129 327211933 /nfs/dbraw/zinc/21/19/33/327211933.db2.gz QRLHOJNGJVEREI-UKRRQHHQSA-N 1 1 357.414 2.335 20 5 FEBDMO Cc1c(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000172648671 327213531 /nfs/dbraw/zinc/21/35/31/327213531.db2.gz GCEXIEICXKFNFW-UHFFFAOYSA-N 1 1 374.441 2.319 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173045362 327232176 /nfs/dbraw/zinc/23/21/76/327232176.db2.gz LUHUEZHOGXYTCS-QAPCUYQASA-N 1 1 363.458 2.391 20 5 FEBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000173265730 327245181 /nfs/dbraw/zinc/24/51/81/327245181.db2.gz DKUHADAJOAAHQM-ZYHUDNBSSA-N 1 1 361.851 2.351 20 5 FEBDMO C[C@H](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000173590663 327269524 /nfs/dbraw/zinc/26/95/24/327269524.db2.gz GLWDCADGXDMGCM-OAHLLOKOSA-N 1 1 359.430 2.208 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173882990 327291185 /nfs/dbraw/zinc/29/11/85/327291185.db2.gz SOVQJEUUXUNSKJ-KBPBESRZSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000174184700 327311267 /nfs/dbraw/zinc/31/12/67/327311267.db2.gz NAUDTCAKHPEGBD-GXTWGEPZSA-N 1 1 350.419 2.228 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000174512576 327331663 /nfs/dbraw/zinc/33/16/63/327331663.db2.gz UYWRWQDTSRFNRC-LBPRGKRZSA-N 1 1 350.375 2.225 20 5 FEBDMO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@@H](C)O ZINC000174639496 327340875 /nfs/dbraw/zinc/34/08/75/327340875.db2.gz LUZJUDHXZKPZMZ-YPMHNXCESA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000174639496 327340876 /nfs/dbraw/zinc/34/08/76/327340876.db2.gz LUZJUDHXZKPZMZ-YPMHNXCESA-N 1 1 355.822 2.165 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000174660193 327342021 /nfs/dbraw/zinc/34/20/21/327342021.db2.gz PQCMZXMNBVVBBR-QGZVFWFLSA-N 1 1 356.382 2.448 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000174660177 327342132 /nfs/dbraw/zinc/34/21/32/327342132.db2.gz PQCMZXMNBVVBBR-KRWDZBQOSA-N 1 1 356.382 2.448 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174941765 327362733 /nfs/dbraw/zinc/36/27/33/327362733.db2.gz DOCHTOUBWHWVPF-KRWDZBQOSA-N 1 1 371.441 2.080 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000175261918 327383289 /nfs/dbraw/zinc/38/32/89/327383289.db2.gz LOTSFEKTUDJXKZ-JTQLQIEISA-N 1 1 373.356 2.292 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000264909442 329073589 /nfs/dbraw/zinc/07/35/89/329073589.db2.gz DYFPXNFRQUPRMZ-DZGCQCFKSA-N 1 1 362.430 2.101 20 5 FEBDMO COC(=O)[C@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000265080080 329088773 /nfs/dbraw/zinc/08/87/73/329088773.db2.gz RCWNSEVOFJDXEO-QWHCGFSZSA-N 1 1 361.398 2.197 20 5 FEBDMO COC(=O)[C@H]1CC12CC[NH+]([C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000265080078 329088829 /nfs/dbraw/zinc/08/88/29/329088829.db2.gz RCWNSEVOFJDXEO-CHWSQXEVSA-N 1 1 361.398 2.197 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000265524841 329135989 /nfs/dbraw/zinc/13/59/89/329135989.db2.gz UHTMCAKJJSRXBP-SNVBAGLBSA-N 1 1 374.344 2.038 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000265996223 329180080 /nfs/dbraw/zinc/18/00/80/329180080.db2.gz NNOGVCYCESXVGK-JSGCOSHPSA-N 1 1 365.430 2.414 20 5 FEBDMO CCOC(=O)C1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000266553941 329235657 /nfs/dbraw/zinc/23/56/57/329235657.db2.gz VEXQKWYCJJVLDZ-UHFFFAOYSA-N 1 1 352.387 2.257 20 5 FEBDMO O=C(CN1CCC(c2[nH]cc[nH+]2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000266733061 329253839 /nfs/dbraw/zinc/25/38/39/329253839.db2.gz JZKFOMXLWVJJPR-UHFFFAOYSA-N 1 1 355.398 2.087 20 5 FEBDMO Nc1c(C(=O)N2CC[NH+](CCc3cccs3)CC2)cccc1[N+](=O)[O-] ZINC000267169613 329298805 /nfs/dbraw/zinc/29/88/05/329298805.db2.gz CLTDYCPNWXMYRK-UHFFFAOYSA-N 1 1 360.439 2.239 20 5 FEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@]1(c2ccccc2)CCCCC1=O ZINC000276279716 330136470 /nfs/dbraw/zinc/13/64/70/330136470.db2.gz FEEBDVTYOVILLX-HKUYNNGSSA-N 1 1 372.425 2.123 20 5 FEBDMO COc1cc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000367234663 330234117 /nfs/dbraw/zinc/23/41/17/330234117.db2.gz RIXDBXIYDYJMAO-CVEARBPZSA-N 1 1 355.394 2.431 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359956433 534602705 /nfs/dbraw/zinc/60/27/05/534602705.db2.gz KSYVRFDCKIDOLT-UONOGXRCSA-N 1 1 361.423 2.403 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247555969 549356225 /nfs/dbraw/zinc/35/62/25/549356225.db2.gz TZYRDPOQEQBJHN-FZKQIMNGSA-N 1 1 369.425 2.334 20 5 FEBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156356345 545621047 /nfs/dbraw/zinc/62/10/47/545621047.db2.gz PLWPXUDVFQXNEG-HNNXBMFYSA-N 1 1 362.430 2.032 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)c1 ZINC000159940357 545993766 /nfs/dbraw/zinc/99/37/66/545993766.db2.gz CTZOJFKGMIGUCN-UHFFFAOYSA-N 1 1 365.430 2.034 20 5 FEBDMO Cc1c(CC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000160215496 546017636 /nfs/dbraw/zinc/01/76/36/546017636.db2.gz RGHXLCQFOLKANC-OKILXGFUSA-N 1 1 363.458 2.450 20 5 FEBDMO Cc1c(CC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000160215496 546017641 /nfs/dbraw/zinc/01/76/41/546017641.db2.gz RGHXLCQFOLKANC-OKILXGFUSA-N 1 1 363.458 2.450 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000160416869 546038833 /nfs/dbraw/zinc/03/88/33/546038833.db2.gz PUMSGLRYNSFRCE-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000160416869 546038837 /nfs/dbraw/zinc/03/88/37/546038837.db2.gz PUMSGLRYNSFRCE-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000176239342 546422955 /nfs/dbraw/zinc/42/29/55/546422955.db2.gz HZZPSNMJNCVJNG-AWEZNQCLSA-N 1 1 363.805 2.182 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000176239342 546422960 /nfs/dbraw/zinc/42/29/60/546422960.db2.gz HZZPSNMJNCVJNG-AWEZNQCLSA-N 1 1 363.805 2.182 20 5 FEBDMO CCOC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000176315782 546430896 /nfs/dbraw/zinc/43/08/96/546430896.db2.gz JMULHQJPIMRFOV-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO COC(=O)[C@H](C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000177410355 546612447 /nfs/dbraw/zinc/61/24/47/546612447.db2.gz LOHJQLUEPSZQGZ-PXAZEXFGSA-N 1 1 371.393 2.334 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000481022040 561223173 /nfs/dbraw/zinc/22/31/73/561223173.db2.gz HDBCHYGEKBWVRK-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000481022040 561223174 /nfs/dbraw/zinc/22/31/74/561223174.db2.gz HDBCHYGEKBWVRK-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000481102993 561225261 /nfs/dbraw/zinc/22/52/61/561225261.db2.gz CDFXJSYBZOIDOI-STQMWFEESA-N 1 1 362.430 2.158 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000481130070 561225863 /nfs/dbraw/zinc/22/58/63/561225863.db2.gz YUCILWSOJTYMBR-QWHCGFSZSA-N 1 1 362.430 2.158 20 5 FEBDMO CC(C)(C)NC(=O)N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481147079 561226348 /nfs/dbraw/zinc/22/63/48/561226348.db2.gz YWMPEXCDPYDSQW-UHFFFAOYSA-N 1 1 364.446 2.489 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@H](C(C)C)C1 ZINC000481539378 561235695 /nfs/dbraw/zinc/23/56/95/561235695.db2.gz GKEKTWGVZNYZIS-INIZCTEOSA-N 1 1 351.403 2.289 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000178833897 546858345 /nfs/dbraw/zinc/85/83/45/546858345.db2.gz QVVTWDRHRKNYDX-UHFFFAOYSA-N 1 1 350.419 2.417 20 5 FEBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000178945307 546878056 /nfs/dbraw/zinc/87/80/56/546878056.db2.gz LFKUIUVBCGSMED-PBHICJAKSA-N 1 1 361.423 2.319 20 5 FEBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000178945307 546878060 /nfs/dbraw/zinc/87/80/60/546878060.db2.gz LFKUIUVBCGSMED-PBHICJAKSA-N 1 1 361.423 2.319 20 5 FEBDMO COc1cc(C[NH+]2CCC(CO)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000179915138 547028296 /nfs/dbraw/zinc/02/82/96/547028296.db2.gz DYZDMJXRBYVXEX-UHFFFAOYSA-N 1 1 360.357 2.452 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000180479468 547115017 /nfs/dbraw/zinc/11/50/17/547115017.db2.gz VTQQNVRONNZIDF-IBGZPJMESA-N 1 1 369.421 2.482 20 5 FEBDMO CCOC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000482876435 561261935 /nfs/dbraw/zinc/26/19/35/561261935.db2.gz ONMJSABUNCNVHH-UHFFFAOYSA-N 1 1 351.403 2.069 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181464485 547318804 /nfs/dbraw/zinc/31/88/04/547318804.db2.gz KMXPSOVTJNELBM-DYVFJYSZSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181479292 547322243 /nfs/dbraw/zinc/32/22/43/547322243.db2.gz VBYXLSHQZKBGSL-HIFRSBDPSA-N 1 1 363.462 2.259 20 5 FEBDMO CS(=O)(=O)C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181785761 547380350 /nfs/dbraw/zinc/38/03/50/547380350.db2.gz BSNNIJVRXYEJEW-DLBZAZTESA-N 1 1 364.423 2.004 20 5 FEBDMO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000182653300 547528117 /nfs/dbraw/zinc/52/81/17/547528117.db2.gz LPHNGLQSXQBVQM-JTQLQIEISA-N 1 1 357.794 2.460 20 5 FEBDMO CCOC(=O)C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000182653300 547528121 /nfs/dbraw/zinc/52/81/21/547528121.db2.gz LPHNGLQSXQBVQM-JTQLQIEISA-N 1 1 357.794 2.460 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000182850977 547561906 /nfs/dbraw/zinc/56/19/06/547561906.db2.gz NUNJJZURVKYPKM-QAPCUYQASA-N 1 1 360.458 2.203 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000183727654 547708361 /nfs/dbraw/zinc/70/83/61/547708361.db2.gz XFJRMUDBQUWWMM-PBHICJAKSA-N 1 1 369.487 2.129 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183785220 547719644 /nfs/dbraw/zinc/71/96/44/547719644.db2.gz CEEPIXLAPJUJML-ZDUSSCGKSA-N 1 1 370.475 2.309 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183885979 547733881 /nfs/dbraw/zinc/73/38/81/547733881.db2.gz FWWXQAQILCHMKY-CQSZACIVSA-N 1 1 363.414 2.317 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183885979 547733886 /nfs/dbraw/zinc/73/38/86/547733886.db2.gz FWWXQAQILCHMKY-CQSZACIVSA-N 1 1 363.414 2.317 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000184915377 547899638 /nfs/dbraw/zinc/89/96/38/547899638.db2.gz VQTYLUKZKKHOCG-ABAIWWIYSA-N 1 1 373.450 2.393 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000485912506 561332214 /nfs/dbraw/zinc/33/22/14/561332214.db2.gz IOFNZVNXVBRWFC-CYBMUJFWSA-N 1 1 364.446 2.467 20 5 FEBDMO C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000186929446 548220946 /nfs/dbraw/zinc/22/09/46/548220946.db2.gz PKWSAYDSQYPTGG-STQMWFEESA-N 1 1 367.421 2.141 20 5 FEBDMO CSc1cccc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000486212594 561341203 /nfs/dbraw/zinc/34/12/03/561341203.db2.gz GZAFEKJTYVGWDK-GFCCVEGCSA-N 1 1 353.444 2.157 20 5 FEBDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000194869251 548543646 /nfs/dbraw/zinc/54/36/46/548543646.db2.gz NJAHDSLZVMESRN-SFHVURJKSA-N 1 1 363.414 2.105 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000198615744 548661961 /nfs/dbraw/zinc/66/19/61/548661961.db2.gz AKURAPWWZCHPLN-BETUJISGSA-N 1 1 365.430 2.221 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000198615744 548661963 /nfs/dbraw/zinc/66/19/63/548661963.db2.gz AKURAPWWZCHPLN-BETUJISGSA-N 1 1 365.430 2.221 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000487941473 561379380 /nfs/dbraw/zinc/37/93/80/561379380.db2.gz DFEPDRNAVFNRGB-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000487941473 561379381 /nfs/dbraw/zinc/37/93/81/561379381.db2.gz DFEPDRNAVFNRGB-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000487941473 561379382 /nfs/dbraw/zinc/37/93/82/561379382.db2.gz DFEPDRNAVFNRGB-MRXNPFEDSA-N 1 1 364.446 2.204 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446412 548924267 /nfs/dbraw/zinc/92/42/67/548924267.db2.gz ZTZABZHEAQMNDO-YOEHRIQHSA-N 1 1 360.458 2.146 20 5 FEBDMO Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000245459704 548925919 /nfs/dbraw/zinc/92/59/19/548925919.db2.gz VMMDIMRTKPFLTB-NVXWUHKLSA-N 1 1 372.425 2.224 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245483374 548932190 /nfs/dbraw/zinc/93/21/90/548932190.db2.gz FICHLZXBZNSJNX-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245663130 548969117 /nfs/dbraw/zinc/96/91/17/548969117.db2.gz QFMJIGDAELKLPM-IAGOWNOFSA-N 1 1 361.423 2.319 20 5 FEBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000245663130 548969123 /nfs/dbraw/zinc/96/91/23/548969123.db2.gz QFMJIGDAELKLPM-IAGOWNOFSA-N 1 1 361.423 2.319 20 5 FEBDMO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488721437 561395225 /nfs/dbraw/zinc/39/52/25/561395225.db2.gz CGFJITWEZUBSIU-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000488721437 561395226 /nfs/dbraw/zinc/39/52/26/561395226.db2.gz CGFJITWEZUBSIU-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@H]1C[C@H]1[N@@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739070 561395853 /nfs/dbraw/zinc/39/58/53/561395853.db2.gz UZENVPBLBDOCDI-VNHYZAJKSA-N 1 1 367.471 2.165 20 5 FEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739070 561395854 /nfs/dbraw/zinc/39/58/54/561395854.db2.gz UZENVPBLBDOCDI-VNHYZAJKSA-N 1 1 367.471 2.165 20 5 FEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@@H](C)C1 ZINC000488762129 561396354 /nfs/dbraw/zinc/39/63/54/561396354.db2.gz CKXLHXROVAJKHN-HWWQOWPSSA-N 1 1 357.414 2.410 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000247154164 549291024 /nfs/dbraw/zinc/29/10/24/549291024.db2.gz KEPYHBMIPFFWNH-OCCSQVGLSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000247170857 549293763 /nfs/dbraw/zinc/29/37/63/549293763.db2.gz ASZBMNZFCDRGQW-DZGCQCFKSA-N 1 1 357.414 2.193 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)o2)cc1 ZINC000247277997 549310762 /nfs/dbraw/zinc/31/07/62/549310762.db2.gz SPHXBZJLNWLCRQ-ZIAGYGMSSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)o2)cc1 ZINC000247277997 549310766 /nfs/dbraw/zinc/31/07/66/549310766.db2.gz SPHXBZJLNWLCRQ-ZIAGYGMSSA-N 1 1 362.411 2.351 20 5 FEBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247685065 549371723 /nfs/dbraw/zinc/37/17/23/549371723.db2.gz UWHNJXJAIKOOTA-DTDBQYNISA-N 1 1 360.414 2.003 20 5 FEBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247685065 549371728 /nfs/dbraw/zinc/37/17/28/549371728.db2.gz UWHNJXJAIKOOTA-DTDBQYNISA-N 1 1 360.414 2.003 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248132129 549409422 /nfs/dbraw/zinc/40/94/22/549409422.db2.gz WRMVCACAYVZOOC-YJBOKZPZSA-N 1 1 357.414 2.051 20 5 FEBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000248452837 549441112 /nfs/dbraw/zinc/44/11/12/549441112.db2.gz JUQJNNLSBQFNIE-BFYDXBDKSA-N 1 1 360.414 2.114 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000252544375 549674067 /nfs/dbraw/zinc/67/40/67/549674067.db2.gz IDGHCBXMQDHTHW-QWRGUYRKSA-N 1 1 357.208 2.027 20 5 FEBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000261907462 549768884 /nfs/dbraw/zinc/76/88/84/549768884.db2.gz HDCUWBVLEDIVGL-INIZCTEOSA-N 1 1 371.393 2.399 20 5 FEBDMO CCOc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000262050391 549783750 /nfs/dbraw/zinc/78/37/50/549783750.db2.gz UWYDESSOEJMXSR-MRXNPFEDSA-N 1 1 356.382 2.175 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000269434553 550195583 /nfs/dbraw/zinc/19/55/83/550195583.db2.gz QJTXGRQSQAMJOO-CYBMUJFWSA-N 1 1 370.475 2.022 20 5 FEBDMO O=C(N1CC[NH+](C2CCOCC2)CC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272248945 550431088 /nfs/dbraw/zinc/43/10/88/550431088.db2.gz SGERWMHEWJVBMG-UHFFFAOYSA-N 1 1 369.368 2.010 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295012 550435306 /nfs/dbraw/zinc/43/53/06/550435306.db2.gz HSFJEUWCZJLNAS-TVQRCGJNSA-N 1 1 355.341 2.409 20 5 FEBDMO COc1cc(CNC[C@@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272405605 550444677 /nfs/dbraw/zinc/44/46/77/550444677.db2.gz KIAQMUCFCXFZCP-LBPRGKRZSA-N 1 1 359.373 2.431 20 5 FEBDMO COc1cc(CNC[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272405605 550444679 /nfs/dbraw/zinc/44/46/79/550444679.db2.gz KIAQMUCFCXFZCP-LBPRGKRZSA-N 1 1 359.373 2.431 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497587 550452912 /nfs/dbraw/zinc/45/29/12/550452912.db2.gz GHPSLKJQRPMXPD-JEBQAFNWSA-N 1 1 355.442 2.490 20 5 FEBDMO Cc1nn(CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1[N+](=O)[O-] ZINC000273128292 550486404 /nfs/dbraw/zinc/48/64/04/550486404.db2.gz PHPLSJPIZVPVJF-UHFFFAOYSA-N 1 1 371.441 2.143 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273343502 550495045 /nfs/dbraw/zinc/49/50/45/550495045.db2.gz AZGXNJJLJZFAGQ-ZDUSSCGKSA-N 1 1 367.425 2.129 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000276888880 550607452 /nfs/dbraw/zinc/60/74/52/550607452.db2.gz UDHQNLQQLDNWLK-UHFFFAOYSA-N 1 1 352.416 2.085 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277021203 550622822 /nfs/dbraw/zinc/62/28/22/550622822.db2.gz ZSNKZMTXMVEPGW-UHFFFAOYSA-N 1 1 356.382 2.391 20 5 FEBDMO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000277676268 550700227 /nfs/dbraw/zinc/70/02/27/550700227.db2.gz FYXHYGTYWWKXOE-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO CCC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000277676268 550700229 /nfs/dbraw/zinc/70/02/29/550700229.db2.gz FYXHYGTYWWKXOE-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278167909 550756588 /nfs/dbraw/zinc/75/65/88/550756588.db2.gz AUBNVYUKRKBQAT-OAHLLOKOSA-N 1 1 358.446 2.077 20 5 FEBDMO CCn1cc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cn1 ZINC000278382034 550779339 /nfs/dbraw/zinc/77/93/39/550779339.db2.gz FFHZKKCEFNEAHN-UHFFFAOYSA-N 1 1 369.429 2.400 20 5 FEBDMO Cc1sc(C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278502245 550793020 /nfs/dbraw/zinc/79/30/20/550793020.db2.gz NSLCLRMTLJHIEM-LLVKDONJSA-N 1 1 353.444 2.290 20 5 FEBDMO Cc1sc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000278502245 550793021 /nfs/dbraw/zinc/79/30/21/550793021.db2.gz NSLCLRMTLJHIEM-LLVKDONJSA-N 1 1 353.444 2.290 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000278594243 550802438 /nfs/dbraw/zinc/80/24/38/550802438.db2.gz ASNCPCMZOBNYMY-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000278594243 550802436 /nfs/dbraw/zinc/80/24/36/550802436.db2.gz ASNCPCMZOBNYMY-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279286896 550873724 /nfs/dbraw/zinc/87/37/24/550873724.db2.gz KSDAKYXSMHPBLO-PXAZEXFGSA-N 1 1 363.414 2.431 20 5 FEBDMO CS(=O)(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000279636961 550911073 /nfs/dbraw/zinc/91/10/73/550911073.db2.gz CNUZVXGLQKNNLS-UHFFFAOYSA-N 1 1 364.370 2.253 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000279908018 550941996 /nfs/dbraw/zinc/94/19/96/550941996.db2.gz VNOMWTSBPILURO-AWEZNQCLSA-N 1 1 366.414 2.252 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000279908018 550941998 /nfs/dbraw/zinc/94/19/98/550941998.db2.gz VNOMWTSBPILURO-AWEZNQCLSA-N 1 1 366.414 2.252 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000280280677 550976366 /nfs/dbraw/zinc/97/63/66/550976366.db2.gz DMDQHCMSDLCJNC-LBPRGKRZSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000284345129 551529067 /nfs/dbraw/zinc/52/90/67/551529067.db2.gz NOBKABDCXIZMCK-UHFFFAOYSA-N 1 1 356.220 2.443 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@H]1c1ccccc1 ZINC000284375111 551535654 /nfs/dbraw/zinc/53/56/54/551535654.db2.gz LMMAGWPOSDGYRQ-NVXWUHKLSA-N 1 1 358.373 2.491 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000284412475 551543874 /nfs/dbraw/zinc/54/38/74/551543874.db2.gz NYIUPZVFPMLVEO-ZBEGNZNMSA-N 1 1 362.405 2.405 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C[C@H]1C ZINC000498552937 561528056 /nfs/dbraw/zinc/52/80/56/561528056.db2.gz DGIFDMQJZGQNJY-CHWSQXEVSA-N 1 1 372.429 2.039 20 5 FEBDMO Cc1c(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000285737844 551803550 /nfs/dbraw/zinc/80/35/50/551803550.db2.gz VTFDMISNZAUOSD-AWEZNQCLSA-N 1 1 355.460 2.007 20 5 FEBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285888049 551823551 /nfs/dbraw/zinc/82/35/51/551823551.db2.gz JVSLXEFWAMOBBU-ZOBUZTSGSA-N 1 1 352.431 2.350 20 5 FEBDMO Nc1ccc(NCCCN2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 ZINC000286184966 551858798 /nfs/dbraw/zinc/85/87/98/551858798.db2.gz JLQLCPJHLLEOHH-UHFFFAOYSA-N 1 1 356.430 2.196 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000286190130 551859369 /nfs/dbraw/zinc/85/93/69/551859369.db2.gz AZYOFSNLECFUKI-INIZCTEOSA-N 1 1 373.482 2.448 20 5 FEBDMO O=C1NC(=O)N2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]12 ZINC000499212029 561545789 /nfs/dbraw/zinc/54/57/89/561545789.db2.gz ONSHHIXPKVJERT-CQSZACIVSA-N 1 1 372.406 2.059 20 5 FEBDMO O=C1NC(=O)N2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]12 ZINC000499212029 561545790 /nfs/dbraw/zinc/54/57/90/561545790.db2.gz ONSHHIXPKVJERT-CQSZACIVSA-N 1 1 372.406 2.059 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000499656969 561555480 /nfs/dbraw/zinc/55/54/80/561555480.db2.gz IXWCWIRBYKOYFZ-HNNXBMFYSA-N 1 1 351.451 2.179 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000288902417 552233768 /nfs/dbraw/zinc/23/37/68/552233768.db2.gz NYDJTKJKFNWPTP-UHFFFAOYSA-N 1 1 359.430 2.450 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000289791740 552379449 /nfs/dbraw/zinc/37/94/49/552379449.db2.gz MRLGUEXEDDQZQZ-CQSZACIVSA-N 1 1 350.419 2.078 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000289868870 552392190 /nfs/dbraw/zinc/39/21/90/552392190.db2.gz RDVXWFQENNUMSN-JQFCIGGWSA-N 1 1 350.415 2.224 20 5 FEBDMO CC[N@@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290083892 552424651 /nfs/dbraw/zinc/42/46/51/552424651.db2.gz VGIPNABBIKNQBO-UHFFFAOYSA-N 1 1 350.156 2.014 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500842880 561584092 /nfs/dbraw/zinc/58/40/92/561584092.db2.gz LYZASFASCSNTQT-PBHICJAKSA-N 1 1 371.441 2.442 20 5 FEBDMO C[NH+]1CCN(C(=O)c2ccc(CNc3ccc(N)cc3[N+](=O)[O-])cc2)CC1 ZINC000290462300 552482775 /nfs/dbraw/zinc/48/27/75/552482775.db2.gz FLYUCZHSUIBJAO-UHFFFAOYSA-N 1 1 369.425 2.177 20 5 FEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290817226 552543221 /nfs/dbraw/zinc/54/32/21/552543221.db2.gz SRISMWIQKXPNGW-UHFFFAOYSA-N 1 1 365.814 2.104 20 5 FEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000290817226 552543225 /nfs/dbraw/zinc/54/32/25/552543225.db2.gz SRISMWIQKXPNGW-UHFFFAOYSA-N 1 1 365.814 2.104 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291526530 552634322 /nfs/dbraw/zinc/63/43/22/552634322.db2.gz MWOKJTWTVVVZQX-SNVBAGLBSA-N 1 1 362.213 2.352 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291777517 552660655 /nfs/dbraw/zinc/66/06/55/552660655.db2.gz MBRASBMQXVEWEZ-AWEZNQCLSA-N 1 1 359.386 2.076 20 5 FEBDMO O=C(CC[N@H+]1CCC(F)(F)[C@@H](CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000291847150 552667798 /nfs/dbraw/zinc/66/77/98/552667798.db2.gz OWXVIZDJMHTOAI-SNVBAGLBSA-N 1 1 361.320 2.012 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292077165 552691275 /nfs/dbraw/zinc/69/12/75/552691275.db2.gz FHDCDPRKAZJLNG-CVEARBPZSA-N 1 1 350.415 2.083 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292098611 552693621 /nfs/dbraw/zinc/69/36/21/552693621.db2.gz UECRUYGAPOXZLE-CYBMUJFWSA-N 1 1 353.444 2.090 20 5 FEBDMO C[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000292154867 552698986 /nfs/dbraw/zinc/69/89/86/552698986.db2.gz KHZVXRDFLRAXHY-MAUKXSAKSA-N 1 1 363.458 2.141 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC4(CC3)OCCCO4)o2)cc1 ZINC000293219931 552800525 /nfs/dbraw/zinc/80/05/25/552800525.db2.gz YQCRKLFLBQQLJB-UHFFFAOYSA-N 1 1 360.370 2.374 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000293598527 552839029 /nfs/dbraw/zinc/83/90/29/552839029.db2.gz BPZGYAGSGCVDGR-SFHVURJKSA-N 1 1 356.382 2.016 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000293976787 552872502 /nfs/dbraw/zinc/87/25/02/552872502.db2.gz VEUCHUWZUNPRHT-UONOGXRCSA-N 1 1 353.806 2.183 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)C2)C1 ZINC000294113684 552882761 /nfs/dbraw/zinc/88/27/61/552882761.db2.gz LJKHWUWFGGRYJG-IBGZPJMESA-N 1 1 369.425 2.338 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295619729 553034897 /nfs/dbraw/zinc/03/48/97/553034897.db2.gz WFFXHPVWIKVRMD-CYBMUJFWSA-N 1 1 355.822 2.215 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000295756182 553054771 /nfs/dbraw/zinc/05/47/71/553054771.db2.gz HLPZSWWRMHJYOS-UHFFFAOYSA-N 1 1 363.805 2.253 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296880747 553224251 /nfs/dbraw/zinc/22/42/51/553224251.db2.gz VACAEGXQHKVSNZ-CQSZACIVSA-N 1 1 364.402 2.004 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000297782448 553337997 /nfs/dbraw/zinc/33/79/97/553337997.db2.gz WYEUIYZGWCJAIY-AWEZNQCLSA-N 1 1 350.419 2.020 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000297805030 553340997 /nfs/dbraw/zinc/34/09/97/553340997.db2.gz ICEXKYJYLXBBDM-CYBMUJFWSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000297960981 553363027 /nfs/dbraw/zinc/36/30/27/553363027.db2.gz ULTNBCFESMZXPU-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000299268299 553539993 /nfs/dbraw/zinc/53/99/93/553539993.db2.gz ZWXSMYMDACXTMY-MRXNPFEDSA-N 1 1 357.414 2.005 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000299268299 553539995 /nfs/dbraw/zinc/53/99/95/553539995.db2.gz ZWXSMYMDACXTMY-MRXNPFEDSA-N 1 1 357.414 2.005 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000299343049 553550729 /nfs/dbraw/zinc/55/07/29/553550729.db2.gz OVMFOOOKWYCTPD-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000299548217 553579591 /nfs/dbraw/zinc/57/95/91/553579591.db2.gz FWHHWNQDOVWKNQ-CABCVRRESA-N 1 1 374.441 2.235 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000299581807 553584563 /nfs/dbraw/zinc/58/45/63/553584563.db2.gz HSFSTMPUJBBBHC-GDBMZVCRSA-N 1 1 374.441 2.093 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(NCCC[N@H+]3CCc4ccccc4C3)nn21 ZINC000301938398 553693192 /nfs/dbraw/zinc/69/31/92/553693192.db2.gz SNFZHMKUFYXOOT-UHFFFAOYSA-N 1 1 352.398 2.498 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505603736 561674966 /nfs/dbraw/zinc/67/49/66/561674966.db2.gz BAGGVSQHLANNMY-MFKMUULPSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000505603736 561674967 /nfs/dbraw/zinc/67/49/67/561674967.db2.gz BAGGVSQHLANNMY-MFKMUULPSA-N 1 1 360.357 2.450 20 5 FEBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505785902 561680774 /nfs/dbraw/zinc/68/07/74/561680774.db2.gz WUOZLTQPECVHGY-OLZOCXBDSA-N 1 1 353.394 2.097 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000331073236 554209640 /nfs/dbraw/zinc/20/96/40/554209640.db2.gz UGTRLFWNCZUELF-LBPRGKRZSA-N 1 1 359.423 2.147 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000332199060 554399386 /nfs/dbraw/zinc/39/93/86/554399386.db2.gz FDAHSHPAFTWBRN-LBPRGKRZSA-N 1 1 363.414 2.198 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332251771 554410598 /nfs/dbraw/zinc/41/05/98/554410598.db2.gz BUUJIZBXUYQWFQ-GJZGRUSLSA-N 1 1 353.444 2.062 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000332386323 554436719 /nfs/dbraw/zinc/43/67/19/554436719.db2.gz YAHNNDZSVXCYRU-KBPBESRZSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000332386323 554436720 /nfs/dbraw/zinc/43/67/20/554436720.db2.gz YAHNNDZSVXCYRU-KBPBESRZSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H]1C[C@@H](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000510200167 561828075 /nfs/dbraw/zinc/82/80/75/561828075.db2.gz WYBODKOKWRCCCN-DOTOQJQBSA-N 1 1 371.441 2.208 20 5 FEBDMO CNc1nc(-c2nc([C@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000351124816 554838465 /nfs/dbraw/zinc/83/84/65/554838465.db2.gz QFFBLLPODDAQQA-WBMJQRKESA-N 1 1 360.374 2.007 20 5 FEBDMO COc1ccc(C[C@H]2CCC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000360408741 554874267 /nfs/dbraw/zinc/87/42/67/554874267.db2.gz YTJHHENMADNXIP-SJLPKXTDSA-N 1 1 374.441 2.116 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000361071850 554903323 /nfs/dbraw/zinc/90/33/23/554903323.db2.gz YWKFZXLWTVJMDW-SECBINFHSA-N 1 1 352.192 2.480 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000361831564 554937017 /nfs/dbraw/zinc/93/70/17/554937017.db2.gz VAXSTZVEDMQZBR-BBRMVZONSA-N 1 1 369.425 2.411 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000363063115 555021884 /nfs/dbraw/zinc/02/18/84/555021884.db2.gz VHZZYTSKFXTXJO-UHFFFAOYSA-N 1 1 369.849 2.362 20 5 FEBDMO CN(C(=O)C[N@@H+]1CCC[C@H](c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000363213115 555055205 /nfs/dbraw/zinc/05/52/05/555055205.db2.gz JLCMYHQZACMHHV-AWEZNQCLSA-N 1 1 357.414 2.171 20 5 FEBDMO CN(C(=O)C[N@H+]1CCC[C@H](c2ccnn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000363213115 555055208 /nfs/dbraw/zinc/05/52/08/555055208.db2.gz JLCMYHQZACMHHV-AWEZNQCLSA-N 1 1 357.414 2.171 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363632842 555150764 /nfs/dbraw/zinc/15/07/64/555150764.db2.gz JRBVFUAHOIEYFE-DLBZAZTESA-N 1 1 360.414 2.009 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363632842 555150766 /nfs/dbraw/zinc/15/07/66/555150766.db2.gz JRBVFUAHOIEYFE-DLBZAZTESA-N 1 1 360.414 2.009 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](c3nnc[nH]3)C2)cccc1[N+](=O)[O-] ZINC000363641094 555153149 /nfs/dbraw/zinc/15/31/49/555153149.db2.gz JHVMTTFPPIRNFJ-ZDUSSCGKSA-N 1 1 358.402 2.230 20 5 FEBDMO O=C(C[N@H+]1CC[C@@H](Cc2ccncc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000364042488 555238809 /nfs/dbraw/zinc/23/88/09/555238809.db2.gz FDXCCEGOHFGMDR-INIZCTEOSA-N 1 1 366.421 2.444 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000364322089 555290899 /nfs/dbraw/zinc/29/08/99/555290899.db2.gz DMDYZVXFFHDKCE-KBPBESRZSA-N 1 1 352.387 2.016 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364432148 555313003 /nfs/dbraw/zinc/31/30/03/555313003.db2.gz ASMFURAKINJFBR-JKSUJKDBSA-N 1 1 350.415 2.226 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364508900 555326718 /nfs/dbraw/zinc/32/67/18/555326718.db2.gz LFSREYRDUUCDHS-MRXNPFEDSA-N 1 1 353.386 2.034 20 5 FEBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512479415 561906811 /nfs/dbraw/zinc/90/68/11/561906811.db2.gz GOGWCUPBBWBPOM-ZBFHGGJFSA-N 1 1 361.442 2.499 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)COc3cccc([N+](=O)[O-])c3)CC2)[nH+]1 ZINC000364767830 555397674 /nfs/dbraw/zinc/39/76/74/555397674.db2.gz DLMLWHXJVRZJKY-UHFFFAOYSA-N 1 1 370.409 2.462 20 5 FEBDMO Cc1n[nH]c(C2CCN([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000365108041 555487109 /nfs/dbraw/zinc/48/71/09/555487109.db2.gz AKDGYYAWDUCBNV-NSHDSACASA-N 1 1 358.402 2.228 20 5 FEBDMO CN1C(=O)CSC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000365135735 555492739 /nfs/dbraw/zinc/49/27/39/555492739.db2.gz JLLYHRPWABAZMM-UHFFFAOYSA-N 1 1 366.399 2.000 20 5 FEBDMO O=C(C[NH+]1CCC(c2cnccn2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000365151166 555495935 /nfs/dbraw/zinc/49/59/35/555495935.db2.gz LOIBJKVUCFLHNL-UHFFFAOYSA-N 1 1 367.409 2.154 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](c3ccncn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365163738 555499622 /nfs/dbraw/zinc/49/96/22/555499622.db2.gz RJYSLABDEVPJNG-KSSFIOAISA-N 1 1 367.409 2.370 20 5 FEBDMO O=C1[C@@H]([N@H+]2CCC[C@H](c3ccncn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365163738 555499623 /nfs/dbraw/zinc/49/96/23/555499623.db2.gz RJYSLABDEVPJNG-KSSFIOAISA-N 1 1 367.409 2.370 20 5 FEBDMO CCOc1cc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000365190195 555506162 /nfs/dbraw/zinc/50/61/62/555506162.db2.gz FVXIQGLSKXERAQ-QGZVFWFLSA-N 1 1 362.474 2.205 20 5 FEBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000365416487 555569238 /nfs/dbraw/zinc/56/92/38/555569238.db2.gz LAUMRQCLDACCKN-LBPRGKRZSA-N 1 1 361.851 2.353 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000365416487 555569240 /nfs/dbraw/zinc/56/92/40/555569240.db2.gz LAUMRQCLDACCKN-LBPRGKRZSA-N 1 1 361.851 2.353 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000365427273 555572369 /nfs/dbraw/zinc/57/23/69/555572369.db2.gz ZAKSVXKTOMERRV-UKRRQHHQSA-N 1 1 365.434 2.123 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)C2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000365524067 555598538 /nfs/dbraw/zinc/59/85/38/555598538.db2.gz SAEWFVYURSOVMC-UHFFFAOYSA-N 1 1 358.402 2.016 20 5 FEBDMO CO[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000513247959 561930891 /nfs/dbraw/zinc/93/08/91/561930891.db2.gz ZTSLDBKUWOKKMP-SECBINFHSA-N 1 1 360.208 2.263 20 5 FEBDMO CO[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000513247959 561930892 /nfs/dbraw/zinc/93/08/92/561930892.db2.gz ZTSLDBKUWOKKMP-SECBINFHSA-N 1 1 360.208 2.263 20 5 FEBDMO Cc1cc(C2=CC[N@H+](C[C@@H](C)CS(C)(=O)=O)CC2)cc([N+](=O)[O-])c1N ZINC000365974383 555715112 /nfs/dbraw/zinc/71/51/12/555715112.db2.gz MHGKAFPKPPOLPD-GFCCVEGCSA-N 1 1 367.471 2.255 20 5 FEBDMO Cc1cc(C2=CC[N@@H+](C[C@@H](C)CS(C)(=O)=O)CC2)cc([N+](=O)[O-])c1N ZINC000365974383 555715113 /nfs/dbraw/zinc/71/51/13/555715113.db2.gz MHGKAFPKPPOLPD-GFCCVEGCSA-N 1 1 367.471 2.255 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000366565356 555877410 /nfs/dbraw/zinc/87/74/10/555877410.db2.gz UQEFCFNDZHIOTA-ZFWWWQNUSA-N 1 1 365.434 2.123 20 5 FEBDMO Cc1cnc([C@@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000366628770 555894494 /nfs/dbraw/zinc/89/44/94/555894494.db2.gz IDEJDNSRCQGRQC-KBPBESRZSA-N 1 1 351.432 2.144 20 5 FEBDMO Cc1cnc([C@@H]2CCCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000366628770 555894497 /nfs/dbraw/zinc/89/44/97/555894497.db2.gz IDEJDNSRCQGRQC-KBPBESRZSA-N 1 1 351.432 2.144 20 5 FEBDMO CCc1nc(CN2C[C@@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4)C[C@@H]3C2)no1 ZINC000366690472 555910016 /nfs/dbraw/zinc/91/00/16/555910016.db2.gz ASZBWOOTXGQNCD-GASCZTMLSA-N 1 1 357.414 2.104 20 5 FEBDMO O=c1cc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c2c(ccc3ccccc32)o1 ZINC000366763327 555927784 /nfs/dbraw/zinc/92/77/84/555927784.db2.gz ZDQSZFREDLRQTB-IRXDYDNUSA-N 1 1 364.401 2.036 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000367006734 555995437 /nfs/dbraw/zinc/99/54/37/555995437.db2.gz HCAFZBKJFUXEBQ-MRXNPFEDSA-N 1 1 369.377 2.089 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000367006734 555995438 /nfs/dbraw/zinc/99/54/38/555995438.db2.gz HCAFZBKJFUXEBQ-MRXNPFEDSA-N 1 1 369.377 2.089 20 5 FEBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)Nc1ccncc1[N+](=O)[O-])CC2)C1CC1 ZINC000367794614 556141135 /nfs/dbraw/zinc/14/11/35/556141135.db2.gz UQVKEUFLJOJPIX-CYBMUJFWSA-N 1 1 359.430 2.140 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000369015269 556476457 /nfs/dbraw/zinc/47/64/57/556476457.db2.gz DSGGFHCERYVRAI-OAHLLOKOSA-N 1 1 350.415 2.227 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c([N+](=O)[O-])cc1OC ZINC000516571144 562048877 /nfs/dbraw/zinc/04/88/77/562048877.db2.gz PNHORJDCNKUKEV-CYBMUJFWSA-N 1 1 359.386 2.088 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](Nc3ncccn3)C2)c([N+](=O)[O-])cc1OC ZINC000516571144 562048878 /nfs/dbraw/zinc/04/88/78/562048878.db2.gz PNHORJDCNKUKEV-CYBMUJFWSA-N 1 1 359.386 2.088 20 5 FEBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000370062018 556770560 /nfs/dbraw/zinc/77/05/60/556770560.db2.gz WVLWNMZRACBNRU-LBPRGKRZSA-N 1 1 372.429 2.287 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000370545264 556904850 /nfs/dbraw/zinc/90/48/50/556904850.db2.gz CVLLOSASCCNMFB-OAHLLOKOSA-N 1 1 363.462 2.294 20 5 FEBDMO O=C1CO[C@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]2N1 ZINC000370714217 556947265 /nfs/dbraw/zinc/94/72/65/556947265.db2.gz ADRXRVYZIZFBIS-HOCLYGCPSA-N 1 1 373.434 2.413 20 5 FEBDMO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000370721396 556949212 /nfs/dbraw/zinc/94/92/12/556949212.db2.gz PZDGGXOUEYKASM-LBPRGKRZSA-N 1 1 363.439 2.338 20 5 FEBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000370721396 556949213 /nfs/dbraw/zinc/94/92/13/556949213.db2.gz PZDGGXOUEYKASM-LBPRGKRZSA-N 1 1 363.439 2.338 20 5 FEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000371130555 557083641 /nfs/dbraw/zinc/08/36/41/557083641.db2.gz QHLNVASPCAZZBD-OAHLLOKOSA-N 1 1 358.398 2.424 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000517736022 562096859 /nfs/dbraw/zinc/09/68/59/562096859.db2.gz FEZKRPJHCQQXQR-CQSZACIVSA-N 1 1 351.403 2.431 20 5 FEBDMO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000371844063 557309587 /nfs/dbraw/zinc/30/95/87/557309587.db2.gz IBFNTICINMVVER-GOSISDBHSA-N 1 1 374.485 2.398 20 5 FEBDMO CCc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000371844063 557309590 /nfs/dbraw/zinc/30/95/90/557309590.db2.gz IBFNTICINMVVER-GOSISDBHSA-N 1 1 374.485 2.398 20 5 FEBDMO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000372286411 557430102 /nfs/dbraw/zinc/43/01/02/557430102.db2.gz ANZXENKUPKBPQE-SJLPKXTDSA-N 1 1 374.441 2.485 20 5 FEBDMO CC(C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000519194411 562127060 /nfs/dbraw/zinc/12/70/60/562127060.db2.gz PSYHEERWZHSDIE-RVKKMQEKSA-N 1 1 363.458 2.387 20 5 FEBDMO CC(C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000519194411 562127061 /nfs/dbraw/zinc/12/70/61/562127061.db2.gz PSYHEERWZHSDIE-RVKKMQEKSA-N 1 1 363.458 2.387 20 5 FEBDMO O=C([C@H]1CCCO1)N1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372434593 557469387 /nfs/dbraw/zinc/46/93/87/557469387.db2.gz CRXLKFWRZMMKLE-NTSMAEHXSA-N 1 1 359.426 2.321 20 5 FEBDMO O=C([C@H]1CCCO1)N1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372434593 557469388 /nfs/dbraw/zinc/46/93/88/557469388.db2.gz CRXLKFWRZMMKLE-NTSMAEHXSA-N 1 1 359.426 2.321 20 5 FEBDMO CSc1cccc(C(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)c1[N+](=O)[O-] ZINC000372549869 557500870 /nfs/dbraw/zinc/50/08/70/557500870.db2.gz ARRGZYCLOXFAOK-UHFFFAOYSA-N 1 1 367.471 2.236 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC000372770149 557559367 /nfs/dbraw/zinc/55/93/67/557559367.db2.gz RDQHZAVCBBVFSS-INIZCTEOSA-N 1 1 355.442 2.359 20 5 FEBDMO COC(=O)[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCC2 ZINC000373184176 557646027 /nfs/dbraw/zinc/64/60/27/557646027.db2.gz VJQCRLDAMHVGME-CQSZACIVSA-N 1 1 372.381 2.420 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCC2 ZINC000373184176 557646030 /nfs/dbraw/zinc/64/60/30/557646030.db2.gz VJQCRLDAMHVGME-CQSZACIVSA-N 1 1 372.381 2.420 20 5 FEBDMO CN1C[C@H]2C[N@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCN2C1=O ZINC000373227522 557653766 /nfs/dbraw/zinc/65/37/66/557653766.db2.gz GBLFUTCRFJOKLP-INIZCTEOSA-N 1 1 363.417 2.498 20 5 FEBDMO CN1C[C@H]2C[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)CCN2C1=O ZINC000373227522 557653768 /nfs/dbraw/zinc/65/37/68/557653768.db2.gz GBLFUTCRFJOKLP-INIZCTEOSA-N 1 1 363.417 2.498 20 5 FEBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000374010723 557807469 /nfs/dbraw/zinc/80/74/69/557807469.db2.gz DNOLYZLKNWRBME-AWEZNQCLSA-N 1 1 360.418 2.365 20 5 FEBDMO Cc1nc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000521029789 562167855 /nfs/dbraw/zinc/16/78/55/562167855.db2.gz RRHNXZCWMZYULS-OAHLLOKOSA-N 1 1 368.393 2.376 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375273653 558002555 /nfs/dbraw/zinc/00/25/55/558002555.db2.gz BRASWEVJVSZRSS-YJBOKZPZSA-N 1 1 369.425 2.458 20 5 FEBDMO C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394491 558020192 /nfs/dbraw/zinc/02/01/92/558020192.db2.gz UHPHUBDRSKPCIA-GOEBONIOSA-N 1 1 369.425 2.406 20 5 FEBDMO C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394491 558020194 /nfs/dbraw/zinc/02/01/94/558020194.db2.gz UHPHUBDRSKPCIA-GOEBONIOSA-N 1 1 369.425 2.406 20 5 FEBDMO C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000375401365 558021285 /nfs/dbraw/zinc/02/12/85/558021285.db2.gz GNONLADQHVESSP-XJKSGUPXSA-N 1 1 361.446 2.218 20 5 FEBDMO C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000375401365 558021287 /nfs/dbraw/zinc/02/12/87/558021287.db2.gz GNONLADQHVESSP-XJKSGUPXSA-N 1 1 361.446 2.218 20 5 FEBDMO COc1ccccc1N1CC[C@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000375670383 558064906 /nfs/dbraw/zinc/06/49/06/558064906.db2.gz AZFGDWQPBPRLGL-AWEZNQCLSA-N 1 1 359.430 2.438 20 5 FEBDMO COc1ccccc1N1CC[C@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000375670383 558064908 /nfs/dbraw/zinc/06/49/08/558064908.db2.gz AZFGDWQPBPRLGL-AWEZNQCLSA-N 1 1 359.430 2.438 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@]3(CCCCO3)C2)c1 ZINC000376043346 558118208 /nfs/dbraw/zinc/11/82/08/558118208.db2.gz PRTMWJMVXOUSKA-AEFFLSMTSA-N 1 1 350.415 2.370 20 5 FEBDMO O=c1[nH]c(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000376399005 558168287 /nfs/dbraw/zinc/16/82/87/558168287.db2.gz WWKPSAMSSAFOJX-CVEARBPZSA-N 1 1 373.413 2.299 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000522168057 562193108 /nfs/dbraw/zinc/19/31/08/562193108.db2.gz ZTOPBKSHORXPQP-AWEZNQCLSA-N 1 1 357.414 2.241 20 5 FEBDMO COC(=O)/C=C/c1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512635 558354916 /nfs/dbraw/zinc/35/49/16/558354916.db2.gz OKZCEMHJMZAPDH-IPKOWEFYSA-N 1 1 361.398 2.056 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])cc1OC ZINC000377703626 558401248 /nfs/dbraw/zinc/40/12/48/558401248.db2.gz VMGLBXQSJHDTQX-LBPRGKRZSA-N 1 1 373.413 2.364 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])cc1OC ZINC000377703626 558401249 /nfs/dbraw/zinc/40/12/49/558401249.db2.gz VMGLBXQSJHDTQX-LBPRGKRZSA-N 1 1 373.413 2.364 20 5 FEBDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000378324797 558530051 /nfs/dbraw/zinc/53/00/51/558530051.db2.gz APPZEWUJVAGCCO-UHFFFAOYSA-N 1 1 355.394 2.303 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000525065845 562240099 /nfs/dbraw/zinc/24/00/99/562240099.db2.gz XIUUHIILWXHLEN-GFCCVEGCSA-N 1 1 351.403 2.072 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105927 562240536 /nfs/dbraw/zinc/24/05/36/562240536.db2.gz BYPVXSXDDJIIMZ-VHSXEESVSA-N 1 1 373.356 2.417 20 5 FEBDMO CCOc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525105001 562240565 /nfs/dbraw/zinc/24/05/65/562240565.db2.gz VCHAPVNQXXSJQC-RYUDHWBXSA-N 1 1 351.403 2.215 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000411423717 558892382 /nfs/dbraw/zinc/89/23/82/558892382.db2.gz DJDYCGDZKKOQGO-AWEZNQCLSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000411423717 558892384 /nfs/dbraw/zinc/89/23/84/558892384.db2.gz DJDYCGDZKKOQGO-AWEZNQCLSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1cc(C(=O)NCCCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1OC ZINC000525609099 562250758 /nfs/dbraw/zinc/25/07/58/562250758.db2.gz BTSFAWXFIHOGPJ-UHFFFAOYSA-N 1 1 362.386 2.327 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000411621444 558930831 /nfs/dbraw/zinc/93/08/31/558930831.db2.gz QLZMQMPALAYTFV-HEHGZKQESA-N 1 1 365.430 2.413 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525809896 562255936 /nfs/dbraw/zinc/25/59/36/562255936.db2.gz YSJANGBJMOGNDP-HNNXBMFYSA-N 1 1 364.446 2.347 20 5 FEBDMO O=C1[C@H]([NH+]2CCC(c3ccncn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000411830726 558972019 /nfs/dbraw/zinc/97/20/19/558972019.db2.gz ZMTHPGDGRIEUGL-GOSISDBHSA-N 1 1 367.409 2.370 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054833 559007265 /nfs/dbraw/zinc/00/72/65/559007265.db2.gz JNDYJWVIOYBAGP-HUUCEWRRSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054833 559007266 /nfs/dbraw/zinc/00/72/66/559007266.db2.gz JNDYJWVIOYBAGP-HUUCEWRRSA-N 1 1 374.441 2.399 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412158605 559017464 /nfs/dbraw/zinc/01/74/64/559017464.db2.gz IBDYPVAFBTWPIX-STQMWFEESA-N 1 1 365.405 2.370 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1F ZINC000412188780 559019106 /nfs/dbraw/zinc/01/91/06/559019106.db2.gz CAMDFCMARCMNJS-TZMCWYRMSA-N 1 1 365.405 2.228 20 5 FEBDMO C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000412693324 559050842 /nfs/dbraw/zinc/05/08/42/559050842.db2.gz FNYOPLILRADBMZ-ZDUSSCGKSA-N 1 1 356.382 2.042 20 5 FEBDMO C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000412693324 559050843 /nfs/dbraw/zinc/05/08/43/559050843.db2.gz FNYOPLILRADBMZ-ZDUSSCGKSA-N 1 1 356.382 2.042 20 5 FEBDMO CCN1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413053695 559073283 /nfs/dbraw/zinc/07/32/83/559073283.db2.gz KQBQXXAYCCRZBV-UHFFFAOYSA-N 1 1 361.368 2.448 20 5 FEBDMO C[N@@H+](CCN1CCN(c2ncc([N+](=O)[O-])cc2F)CC1)Cc1ccccc1 ZINC000413121510 559080287 /nfs/dbraw/zinc/08/02/87/559080287.db2.gz GMANIRNALAGJMV-UHFFFAOYSA-N 1 1 373.432 2.383 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000413503554 559112515 /nfs/dbraw/zinc/11/25/15/559112515.db2.gz PDNIICPCZCVFHR-OCCSQVGLSA-N 1 1 367.421 2.474 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413711040 559126088 /nfs/dbraw/zinc/12/60/88/559126088.db2.gz ISFDLGBRSNOYEV-ZWKOTPCHSA-N 1 1 374.485 2.231 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000413847691 559134753 /nfs/dbraw/zinc/13/47/53/559134753.db2.gz UYKBEZUHHIWEKJ-ZWKOTPCHSA-N 1 1 374.485 2.231 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416421559 559311885 /nfs/dbraw/zinc/31/18/85/559311885.db2.gz DHNVQINQFXDBJM-OLZOCXBDSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000417044793 559345485 /nfs/dbraw/zinc/34/54/85/559345485.db2.gz QOHMLZYBGVTKKX-UONOGXRCSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000417044793 559345486 /nfs/dbraw/zinc/34/54/86/559345486.db2.gz QOHMLZYBGVTKKX-UONOGXRCSA-N 1 1 350.419 2.130 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)c1 ZINC000419281371 559435090 /nfs/dbraw/zinc/43/50/90/559435090.db2.gz BDPLUGSXPQPCSC-GOEBONIOSA-N 1 1 366.368 2.138 20 5 FEBDMO COc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000421700430 559549789 /nfs/dbraw/zinc/54/97/89/559549789.db2.gz DVSSJPKEHYQVCJ-SNVBAGLBSA-N 1 1 373.356 2.371 20 5 FEBDMO O=[N+]([O-])c1cc(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(C(F)(F)F)c1 ZINC000423081617 559618073 /nfs/dbraw/zinc/61/80/73/559618073.db2.gz DJMZHQFRFMHSML-HUUCEWRRSA-N 1 1 359.348 2.470 20 5 FEBDMO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCN(Cc2ccccc2)CC1 ZINC000424023070 559651618 /nfs/dbraw/zinc/65/16/18/559651618.db2.gz AGDRIKNDKLNYQM-UHFFFAOYSA-N 1 1 374.466 2.380 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1SC ZINC000425057160 559685472 /nfs/dbraw/zinc/68/54/72/559685472.db2.gz MCIONXZFTGXAHE-SMDDNHRTSA-N 1 1 365.455 2.492 20 5 FEBDMO Cc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)c1[N+](=O)[O-] ZINC000425075952 559686423 /nfs/dbraw/zinc/68/64/23/559686423.db2.gz FHIMOLHKHJBSTO-UHFFFAOYSA-N 1 1 364.431 2.492 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425444439 559702586 /nfs/dbraw/zinc/70/25/86/559702586.db2.gz NRMQFJXJYWMLTN-AWEZNQCLSA-N 1 1 356.220 2.315 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425444439 559702587 /nfs/dbraw/zinc/70/25/87/559702587.db2.gz NRMQFJXJYWMLTN-AWEZNQCLSA-N 1 1 356.220 2.315 20 5 FEBDMO CC[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000426266498 559731999 /nfs/dbraw/zinc/73/19/99/559731999.db2.gz JXDXXSZJFYSZEW-UHFFFAOYSA-N 1 1 360.336 2.461 20 5 FEBDMO COc1cccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1[N+](=O)[O-] ZINC000428551207 559778067 /nfs/dbraw/zinc/77/80/67/559778067.db2.gz KAAJYLQNEBLGKP-OAHLLOKOSA-N 1 1 371.393 2.422 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000433058734 559870844 /nfs/dbraw/zinc/87/08/44/559870844.db2.gz RBOYOJBVLQMHCV-SFHVURJKSA-N 1 1 357.410 2.459 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433323237 559876943 /nfs/dbraw/zinc/87/69/43/559876943.db2.gz VPLNLHVAYXRDJN-XJKSGUPXSA-N 1 1 350.806 2.295 20 5 FEBDMO C[N@@H+](CCCCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000434678615 559905709 /nfs/dbraw/zinc/90/57/09/559905709.db2.gz IRMZYFXEKBPITK-UHFFFAOYSA-N 1 1 374.235 2.390 20 5 FEBDMO C[NH+](C)[C@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccccc1 ZINC000439129366 559988952 /nfs/dbraw/zinc/98/89/52/559988952.db2.gz BHGWWWLDQWHDHI-MRXNPFEDSA-N 1 1 353.382 2.958 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000439159337 559989358 /nfs/dbraw/zinc/98/93/58/559989358.db2.gz XGFXWPZFHZRGDS-HLLBOEOZSA-N 1 1 350.415 2.083 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443342034 560081245 /nfs/dbraw/zinc/08/12/45/560081245.db2.gz DHLLDCKFJFKFAZ-ZOWXZIJZSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443342034 560081247 /nfs/dbraw/zinc/08/12/47/560081247.db2.gz DHLLDCKFJFKFAZ-ZOWXZIJZSA-N 1 1 351.403 2.023 20 5 FEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446110392 560139967 /nfs/dbraw/zinc/13/99/67/560139967.db2.gz ZZWMTLDKNLLONX-LLVKDONJSA-N 1 1 370.247 2.452 20 5 FEBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1nn(C)cc1Cl ZINC000449480092 560231580 /nfs/dbraw/zinc/23/15/80/560231580.db2.gz NORHWMQILUZLLH-JTQLQIEISA-N 1 1 351.794 2.489 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449527783 560232948 /nfs/dbraw/zinc/23/29/48/560232948.db2.gz KXZPHFNOBYDARP-OAHLLOKOSA-N 1 1 366.439 2.474 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449527783 560232949 /nfs/dbraw/zinc/23/29/49/560232949.db2.gz KXZPHFNOBYDARP-OAHLLOKOSA-N 1 1 366.439 2.474 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@@H]2C1 ZINC000450701336 560270740 /nfs/dbraw/zinc/27/07/40/560270740.db2.gz VZEANMHTGGSJNX-CXAGYDPISA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)[C@@H]2C1 ZINC000450701336 560270741 /nfs/dbraw/zinc/27/07/41/560270741.db2.gz VZEANMHTGGSJNX-CXAGYDPISA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)[C@@H]2C1 ZINC000450701336 560270742 /nfs/dbraw/zinc/27/07/42/560270742.db2.gz VZEANMHTGGSJNX-CXAGYDPISA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@@H]2C1 ZINC000450701339 560270848 /nfs/dbraw/zinc/27/08/48/560270848.db2.gz VZEANMHTGGSJNX-SUMWQHHRSA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)[C@@H]2C1 ZINC000450701339 560270849 /nfs/dbraw/zinc/27/08/49/560270849.db2.gz VZEANMHTGGSJNX-SUMWQHHRSA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)[C@@H]2C1 ZINC000450701339 560270850 /nfs/dbraw/zinc/27/08/50/560270850.db2.gz VZEANMHTGGSJNX-SUMWQHHRSA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450785327 560273166 /nfs/dbraw/zinc/27/31/66/560273166.db2.gz FLUQERURFMGIPM-RNCFNFMXSA-N 1 1 373.194 2.340 20 5 FEBDMO COC[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451197157 560292646 /nfs/dbraw/zinc/29/26/46/560292646.db2.gz CGJJBQIUFYIOFS-SJKOYZFVSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451197157 560292647 /nfs/dbraw/zinc/29/26/47/560292647.db2.gz CGJJBQIUFYIOFS-SJKOYZFVSA-N 1 1 351.403 2.289 20 5 FEBDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545197 560313426 /nfs/dbraw/zinc/31/34/26/560313426.db2.gz HABVVNYHVVASGT-GXTWGEPZSA-N 1 1 360.414 2.151 20 5 FEBDMO C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545197 560313427 /nfs/dbraw/zinc/31/34/27/560313427.db2.gz HABVVNYHVVASGT-GXTWGEPZSA-N 1 1 360.414 2.151 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451632359 560318210 /nfs/dbraw/zinc/31/82/10/560318210.db2.gz OQJMIWTYCZDIJR-JRPNMDOOSA-N 1 1 352.822 2.211 20 5 FEBDMO CCCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1OC ZINC000451648342 560319202 /nfs/dbraw/zinc/31/92/02/560319202.db2.gz FAQRDZFAIZMQNR-BRWVUGGUSA-N 1 1 354.451 2.212 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451694441 560322572 /nfs/dbraw/zinc/32/25/72/560322572.db2.gz KZMIHBVOUJUZFC-MCIONIFRSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000451694441 560322573 /nfs/dbraw/zinc/32/25/73/560322573.db2.gz KZMIHBVOUJUZFC-MCIONIFRSA-N 1 1 363.414 2.025 20 5 FEBDMO COC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000452036255 560346889 /nfs/dbraw/zinc/34/68/89/560346889.db2.gz IMCBOZKSHTUOKQ-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452355160 560359744 /nfs/dbraw/zinc/35/97/44/560359744.db2.gz XBDCYQMGNAWPCO-HIFRSBDPSA-N 1 1 367.471 2.038 20 5 FEBDMO C[C@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+](C2CC2)C1 ZINC000452581820 560368440 /nfs/dbraw/zinc/36/84/40/560368440.db2.gz UNJDLACKDMGLES-LLVKDONJSA-N 1 1 353.369 2.358 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000454085208 560427821 /nfs/dbraw/zinc/42/78/21/560427821.db2.gz FFABOZSCUMMMFB-GFCCVEGCSA-N 1 1 368.821 2.128 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000455252344 560475608 /nfs/dbraw/zinc/47/56/08/560475608.db2.gz UINOANFLOLYYQX-AWEZNQCLSA-N 1 1 350.419 2.180 20 5 FEBDMO CNc1nc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000455994610 560503900 /nfs/dbraw/zinc/50/39/00/560503900.db2.gz IABQTNGCGCMOTR-CZUORRHYSA-N 1 1 355.398 2.207 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1)CCC(F)(F)F ZINC000456048053 560505414 /nfs/dbraw/zinc/50/54/14/560505414.db2.gz UVWNWFDKMUTTBC-UHFFFAOYSA-N 1 1 363.340 2.036 20 5 FEBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000456171907 560509494 /nfs/dbraw/zinc/50/94/94/560509494.db2.gz CXYPPQDOPVYMTD-ZDUSSCGKSA-N 1 1 350.419 2.322 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000456368124 560517708 /nfs/dbraw/zinc/51/77/08/560517708.db2.gz DULGHDOPJWVENI-CYBMUJFWSA-N 1 1 351.403 2.168 20 5 FEBDMO C[N@@H+](CCCCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1 ZINC000457197710 560555355 /nfs/dbraw/zinc/55/53/55/560555355.db2.gz JDSLOOWNEMCFKN-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000458194395 560608051 /nfs/dbraw/zinc/60/80/51/560608051.db2.gz QFZKMEGIIZGFTQ-ZDUSSCGKSA-N 1 1 363.414 2.233 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000458698996 560641657 /nfs/dbraw/zinc/64/16/57/560641657.db2.gz BDBGNUFUVBOURD-LBPRGKRZSA-N 1 1 360.418 2.097 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000461541583 560775043 /nfs/dbraw/zinc/77/50/43/560775043.db2.gz FYWFABBETHTJKY-LBPRGKRZSA-N 1 1 353.419 2.462 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000461611539 560776652 /nfs/dbraw/zinc/77/66/52/560776652.db2.gz DAOPAKMCNHNTNT-CYBMUJFWSA-N 1 1 360.418 2.026 20 5 FEBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000464819148 560852372 /nfs/dbraw/zinc/85/23/72/560852372.db2.gz AWPXWOJBKRGXRA-YXJHDRRASA-N 1 1 352.431 2.470 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000464857042 560853790 /nfs/dbraw/zinc/85/37/90/560853790.db2.gz TYJXJWTZXZYPTR-CZUORRHYSA-N 1 1 363.414 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000464857042 560853791 /nfs/dbraw/zinc/85/37/91/560853791.db2.gz TYJXJWTZXZYPTR-CZUORRHYSA-N 1 1 363.414 2.433 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713615 560915418 /nfs/dbraw/zinc/91/54/18/560915418.db2.gz MVPPIATZXHFMAN-HWPZZCPQSA-N 1 1 356.382 2.061 20 5 FEBDMO O=C(NC[C@H]1CCc2[nH+]ccn2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000470365917 560979554 /nfs/dbraw/zinc/97/95/54/560979554.db2.gz TXFDREKOMPKHQM-CYBMUJFWSA-N 1 1 355.398 2.122 20 5 FEBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470818127 560990784 /nfs/dbraw/zinc/99/07/84/560990784.db2.gz YTNSYZUIQSQHNT-WMZOPIPTSA-N 1 1 373.432 2.472 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000471208710 561000546 /nfs/dbraw/zinc/00/05/46/561000546.db2.gz VPQCHZSSAROQEP-CQSZACIVSA-N 1 1 356.430 2.334 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](CO)c1ccsc1 ZINC000473158403 561042963 /nfs/dbraw/zinc/04/29/63/561042963.db2.gz DRWOBBFYRWZEIA-HZMBPMFUSA-N 1 1 365.411 2.315 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000475753411 561104442 /nfs/dbraw/zinc/10/44/42/561104442.db2.gz XWBNEPJUVPAGPH-FUHWJXTLSA-N 1 1 350.415 2.227 20 5 FEBDMO COc1c(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000476139691 561111833 /nfs/dbraw/zinc/11/18/33/561111833.db2.gz HNCXIZZPUHTXPU-UHFFFAOYSA-N 1 1 372.381 2.356 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000476355965 561117539 /nfs/dbraw/zinc/11/75/39/561117539.db2.gz RKIVHQSPOLOLRI-OAHLLOKOSA-N 1 1 357.414 2.113 20 5 FEBDMO COc1c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cccc1[N+](=O)[O-] ZINC000476412319 561118838 /nfs/dbraw/zinc/11/88/38/561118838.db2.gz GHLLZTAZMFOGIH-UHFFFAOYSA-N 1 1 358.398 2.432 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477062544 561135685 /nfs/dbraw/zinc/13/56/85/561135685.db2.gz AJNWPVWDIOQONL-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477062544 561135686 /nfs/dbraw/zinc/13/56/86/561135686.db2.gz AJNWPVWDIOQONL-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662761 562419656 /nfs/dbraw/zinc/41/96/56/562419656.db2.gz NXUIKOHITLHVPX-VYDXJSESSA-N 1 1 351.447 2.139 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662761 562419657 /nfs/dbraw/zinc/41/96/57/562419657.db2.gz NXUIKOHITLHVPX-VYDXJSESSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662761 562419658 /nfs/dbraw/zinc/41/96/58/562419658.db2.gz NXUIKOHITLHVPX-VYDXJSESSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000530662761 562419659 /nfs/dbraw/zinc/41/96/59/562419659.db2.gz NXUIKOHITLHVPX-VYDXJSESSA-N 1 1 351.447 2.139 20 5 FEBDMO C[C@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813541 562424889 /nfs/dbraw/zinc/42/48/89/562424889.db2.gz ZKGDHDXPFWUCOK-YWZLYKJASA-N 1 1 369.421 2.409 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000531137278 562435886 /nfs/dbraw/zinc/43/58/86/562435886.db2.gz QNWUHQSJSJGEJI-ZBFHGGJFSA-N 1 1 364.446 2.488 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](Cc2ccccc2)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000532574777 562482074 /nfs/dbraw/zinc/48/20/74/562482074.db2.gz MFTHGILJWRIVTO-CQSZACIVSA-N 1 1 373.409 2.425 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](Cc2ccccc2)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000532574777 562482075 /nfs/dbraw/zinc/48/20/75/562482075.db2.gz MFTHGILJWRIVTO-CQSZACIVSA-N 1 1 373.409 2.425 20 5 FEBDMO CCn1cc(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000532581158 562482136 /nfs/dbraw/zinc/48/21/36/562482136.db2.gz VAVTYCVDVJVYJF-UHFFFAOYSA-N 1 1 361.402 2.280 20 5 FEBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCc1nnnn1-c1ccccc1)C2 ZINC000535248790 562554042 /nfs/dbraw/zinc/55/40/42/562554042.db2.gz VWTXPACMPWNAMZ-UHFFFAOYSA-N 1 1 350.382 2.171 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](c3nccn3C)C2)cccc1[N+](=O)[O-] ZINC000535313753 562555660 /nfs/dbraw/zinc/55/56/60/562555660.db2.gz MUKZPEPISYNXER-AWEZNQCLSA-N 1 1 357.414 2.455 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC[N@@H+]1CC=CCC1 ZINC000535848777 562569546 /nfs/dbraw/zinc/56/95/46/562569546.db2.gz WAEMPJNJPQHUCJ-UHFFFAOYSA-N 1 1 368.231 2.278 20 5 FEBDMO COc1cc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000569873483 568432238 /nfs/dbraw/zinc/43/22/38/568432238.db2.gz XSDQLIHOPUMFBM-LBPRGKRZSA-N 1 1 365.411 2.123 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000570244576 568465987 /nfs/dbraw/zinc/46/59/87/568465987.db2.gz PVHYTGLHBVOAKD-KGLIPLIRSA-N 1 1 367.471 2.450 20 5 FEBDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736706028 598338641 /nfs/dbraw/zinc/33/86/41/598338641.db2.gz SCQLNGDKFWJXMQ-CYBMUJFWSA-N 1 1 368.401 2.375 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000557152107 674440117 /nfs/dbraw/zinc/44/01/17/674440117.db2.gz QMYBHKTXFRKVLR-STQMWFEESA-N 1 1 367.471 2.388 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000557152107 674440118 /nfs/dbraw/zinc/44/01/18/674440118.db2.gz QMYBHKTXFRKVLR-STQMWFEESA-N 1 1 367.471 2.388 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1F ZINC000808766706 674471655 /nfs/dbraw/zinc/47/16/55/674471655.db2.gz AQGCEIIIZQMBJZ-CYBMUJFWSA-N 1 1 371.434 2.028 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1F ZINC000808766706 674471656 /nfs/dbraw/zinc/47/16/56/674471656.db2.gz AQGCEIIIZQMBJZ-CYBMUJFWSA-N 1 1 371.434 2.028 20 5 FEBDMO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810039 674511054 /nfs/dbraw/zinc/51/10/54/674511054.db2.gz IUTCEPNGVGATMO-MRVPVSSYSA-N 1 1 368.242 2.274 20 5 FEBDMO C[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810039 674511055 /nfs/dbraw/zinc/51/10/55/674511055.db2.gz IUTCEPNGVGATMO-MRVPVSSYSA-N 1 1 368.242 2.274 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000809814029 674511621 /nfs/dbraw/zinc/51/16/21/674511621.db2.gz WWFLMCLZMIEVHG-UHFFFAOYSA-N 1 1 365.814 2.150 20 5 FEBDMO C[N@@H+](CCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])Cc1ccccc1 ZINC000821600408 607164086 /nfs/dbraw/zinc/16/40/86/607164086.db2.gz LMARNAYAZHPWHB-UHFFFAOYSA-N 1 1 368.401 2.104 20 5 FEBDMO COc1cc(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810851659 674565210 /nfs/dbraw/zinc/56/52/10/674565210.db2.gz MWCZTECTYFJOFJ-RYUDHWBXSA-N 1 1 350.371 2.396 20 5 FEBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)[C@@H](C)C1 ZINC000563427595 674886250 /nfs/dbraw/zinc/88/62/50/674886250.db2.gz ZYUNDWBTWZXDDA-ZDUSSCGKSA-N 1 1 352.410 2.101 20 5 FEBDMO O=[N+]([O-])c1cc(NC(=S)NCCC[NH+]2CCOCC2)ccc1Cl ZINC000023744870 670050502 /nfs/dbraw/zinc/05/05/02/670050502.db2.gz KYBPROVAKJHIJW-UHFFFAOYSA-N 1 1 358.851 2.257 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000573640633 671146618 /nfs/dbraw/zinc/14/66/18/671146618.db2.gz GARFZWSEYAOOSQ-CRAIPNDOSA-N 1 1 350.415 2.227 20 5 FEBDMO C[C@@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000574941515 671287726 /nfs/dbraw/zinc/28/77/26/671287726.db2.gz BNRYDMWKMDHLOD-OAHLLOKOSA-N 1 1 350.463 2.040 20 5 FEBDMO C[C@@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000574941515 671287729 /nfs/dbraw/zinc/28/77/29/671287729.db2.gz BNRYDMWKMDHLOD-OAHLLOKOSA-N 1 1 350.463 2.040 20 5 FEBDMO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000575741822 671316967 /nfs/dbraw/zinc/31/69/67/671316967.db2.gz VQTOHRHOGIXNTF-UHFFFAOYSA-N 1 1 368.386 2.306 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)C[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000609631625 675930025 /nfs/dbraw/zinc/93/00/25/675930025.db2.gz HGCIAKZGIRBXGK-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000579464461 671737734 /nfs/dbraw/zinc/73/77/34/671737734.db2.gz SUVQPJOQUHLMCT-GZMMTYOYSA-N 1 1 363.748 2.081 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610133851 675955799 /nfs/dbraw/zinc/95/57/99/675955799.db2.gz ZPUXDFBEVISYOL-STQMWFEESA-N 1 1 355.460 2.307 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](COC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000121432721 671949087 /nfs/dbraw/zinc/94/90/87/671949087.db2.gz QVEOAQQJMHRLEH-QGZVFWFLSA-N 1 1 350.415 2.427 20 5 FEBDMO C[N@H+]1CCCN(CCCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000610512418 675977281 /nfs/dbraw/zinc/97/72/81/675977281.db2.gz BRNJJBAJTDJQLH-UHFFFAOYSA-N 1 1 372.267 2.192 20 5 FEBDMO CN1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000610512418 675977283 /nfs/dbraw/zinc/97/72/83/675977283.db2.gz BRNJJBAJTDJQLH-UHFFFAOYSA-N 1 1 372.267 2.192 20 5 FEBDMO CN1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000610512418 675977286 /nfs/dbraw/zinc/97/72/86/675977286.db2.gz BRNJJBAJTDJQLH-UHFFFAOYSA-N 1 1 372.267 2.192 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583866931 672133430 /nfs/dbraw/zinc/13/34/30/672133430.db2.gz LYNSBTNAAPIQCJ-HLLBOEOZSA-N 1 1 351.447 2.187 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583866931 672133432 /nfs/dbraw/zinc/13/34/32/672133432.db2.gz LYNSBTNAAPIQCJ-HLLBOEOZSA-N 1 1 351.447 2.187 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000585698702 672225783 /nfs/dbraw/zinc/22/57/83/672225783.db2.gz PHKWCKNALJGPSR-SNVBAGLBSA-N 1 1 356.220 2.490 20 5 FEBDMO CCOC(=O)CC[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611265187 676028673 /nfs/dbraw/zinc/02/86/73/676028673.db2.gz HWOGLNJGKLIQJL-UHFFFAOYSA-N 1 1 350.371 2.284 20 5 FEBDMO CCOC(=O)CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611265187 676028674 /nfs/dbraw/zinc/02/86/74/676028674.db2.gz HWOGLNJGKLIQJL-UHFFFAOYSA-N 1 1 350.371 2.284 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590441774 672582817 /nfs/dbraw/zinc/58/28/17/672582817.db2.gz DWTBQEMPEBTJDY-BXUZGUMPSA-N 1 1 353.806 2.180 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000590539740 672588005 /nfs/dbraw/zinc/58/80/05/672588005.db2.gz ZXSGUFNNWYDRNI-OLZOCXBDSA-N 1 1 351.378 2.252 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)OCCO2 ZINC000590662206 672599515 /nfs/dbraw/zinc/59/95/15/672599515.db2.gz RLKDYEWEEVBEIJ-XPTSAGLGSA-N 1 1 362.304 2.111 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1)OCCO2 ZINC000590662206 672599524 /nfs/dbraw/zinc/59/95/24/672599524.db2.gz RLKDYEWEEVBEIJ-XPTSAGLGSA-N 1 1 362.304 2.111 20 5 FEBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000592183866 672768448 /nfs/dbraw/zinc/76/84/48/672768448.db2.gz CKRMFJFOOGFMMO-CQSZACIVSA-N 1 1 361.320 2.104 20 5 FEBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000592183866 672768451 /nfs/dbraw/zinc/76/84/51/672768451.db2.gz CKRMFJFOOGFMMO-CQSZACIVSA-N 1 1 361.320 2.104 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](C)CO1 ZINC000593062664 672870311 /nfs/dbraw/zinc/87/03/11/672870311.db2.gz QOVGCOZSLKHHBA-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594475784 673082125 /nfs/dbraw/zinc/08/21/25/673082125.db2.gz TZAYQDMTKMQWFJ-UHFFFAOYSA-N 1 1 355.460 2.231 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594483454 673086955 /nfs/dbraw/zinc/08/69/55/673086955.db2.gz KVGLFKPXVKGNAN-DLBZAZTESA-N 1 1 367.471 2.074 20 5 FEBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594536873 673096050 /nfs/dbraw/zinc/09/60/50/673096050.db2.gz JKLNRTGQDSNBMM-UTUOFQBUSA-N 1 1 354.382 2.353 20 5 FEBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594536873 673096053 /nfs/dbraw/zinc/09/60/53/673096053.db2.gz JKLNRTGQDSNBMM-UTUOFQBUSA-N 1 1 354.382 2.353 20 5 FEBDMO O=[N+]([O-])c1cccnc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000594781489 673140451 /nfs/dbraw/zinc/14/04/51/673140451.db2.gz QCICASXMDLCGFV-AWEZNQCLSA-N 1 1 368.459 2.065 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000595019255 673186623 /nfs/dbraw/zinc/18/66/23/673186623.db2.gz KYFOJWAOZJDYDN-BXKDBHETSA-N 1 1 361.320 2.417 20 5 FEBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295060 673217929 /nfs/dbraw/zinc/21/79/29/673217929.db2.gz DDUKKSUQCQQLHM-CQSZACIVSA-N 1 1 359.423 2.028 20 5 FEBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595295060 673217932 /nfs/dbraw/zinc/21/79/32/673217932.db2.gz DDUKKSUQCQQLHM-CQSZACIVSA-N 1 1 359.423 2.028 20 5 FEBDMO C[N@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000729263811 673230454 /nfs/dbraw/zinc/23/04/54/673230454.db2.gz JNJWDTMWSGGWQM-VIFPVBQESA-N 1 1 367.349 2.252 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595500851 673258494 /nfs/dbraw/zinc/25/84/94/673258494.db2.gz MMFNXPAPVOZTKB-CQSZACIVSA-N 1 1 350.419 2.146 20 5 FEBDMO CN(C)C(=O)N(C)[C@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595826948 673328359 /nfs/dbraw/zinc/32/83/59/673328359.db2.gz PWMBISMSWTYGRA-HNNXBMFYSA-N 1 1 350.419 2.051 20 5 FEBDMO CCOC(=O)CC1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCOCC1 ZINC000595875940 673333504 /nfs/dbraw/zinc/33/35/04/673333504.db2.gz HABSEYBFFZUCAK-UHFFFAOYSA-N 1 1 358.341 2.465 20 5 FEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000597710412 673501454 /nfs/dbraw/zinc/50/14/54/673501454.db2.gz MBMTYTZOQBENIA-KRWDZBQOSA-N 1 1 353.369 2.360 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000597709990 673501515 /nfs/dbraw/zinc/50/15/15/673501515.db2.gz FXVVAQXLUCEPTE-KRWDZBQOSA-N 1 1 351.378 2.300 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000597858167 673513460 /nfs/dbraw/zinc/51/34/60/673513460.db2.gz LFTNNDUMWJZGRK-ZDUSSCGKSA-N 1 1 367.471 2.282 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000543172891 673629833 /nfs/dbraw/zinc/62/98/33/673629833.db2.gz VDQHDHUHIYJLQH-KVQFHVITSA-N 1 1 353.806 2.278 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000543172891 673629834 /nfs/dbraw/zinc/62/98/34/673629834.db2.gz VDQHDHUHIYJLQH-KVQFHVITSA-N 1 1 353.806 2.278 20 5 FEBDMO CC[C@@H]1[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000599106709 673633726 /nfs/dbraw/zinc/63/37/26/673633726.db2.gz IFDHQBBHMDFWJO-VHSXEESVSA-N 1 1 368.242 2.320 20 5 FEBDMO NS(=O)(=O)c1c(NC[C@@H]2CC[N@H+]2C2CCCCC2)cccc1[N+](=O)[O-] ZINC000599125808 673635292 /nfs/dbraw/zinc/63/52/92/673635292.db2.gz CFOKFIDSGOJQCH-ZDUSSCGKSA-N 1 1 368.459 2.061 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000740841182 673656758 /nfs/dbraw/zinc/65/67/58/673656758.db2.gz NAWFCLSEFDDABY-AAEUAGOBSA-N 1 1 350.375 2.448 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000740841184 673656771 /nfs/dbraw/zinc/65/67/71/673656771.db2.gz NAWFCLSEFDDABY-WCQYABFASA-N 1 1 350.375 2.448 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000543674783 673660631 /nfs/dbraw/zinc/66/06/31/673660631.db2.gz NUHPOHDSHQBHKR-DGCLKSJQSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000543674783 673660632 /nfs/dbraw/zinc/66/06/32/673660632.db2.gz NUHPOHDSHQBHKR-DGCLKSJQSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599463973 673678678 /nfs/dbraw/zinc/67/86/78/673678678.db2.gz ICUYSEWSYZRRLQ-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599464716 673678698 /nfs/dbraw/zinc/67/86/98/673678698.db2.gz QZUCGXJQUNNYSU-OAHLLOKOSA-N 1 1 353.444 2.198 20 5 FEBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599639649 673700673 /nfs/dbraw/zinc/70/06/73/673700673.db2.gz LBZUXTARHNUVOI-MEDUHNTESA-N 1 1 353.806 2.281 20 5 FEBDMO O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599639649 673700674 /nfs/dbraw/zinc/70/06/74/673700674.db2.gz LBZUXTARHNUVOI-MEDUHNTESA-N 1 1 353.806 2.281 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000742412339 673727051 /nfs/dbraw/zinc/72/70/51/673727051.db2.gz PMJRZEPIBNCJAH-NXEZZACHSA-N 1 1 352.347 2.184 20 5 FEBDMO CSc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600112697 673741657 /nfs/dbraw/zinc/74/16/57/673741657.db2.gz URBIGMFSBDDVHU-UHFFFAOYSA-N 1 1 365.455 2.254 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@]1(C)CCCS1 ZINC000600164975 673745714 /nfs/dbraw/zinc/74/57/14/673745714.db2.gz MPZIGAKFPSBWJY-HNNXBMFYSA-N 1 1 373.500 2.091 20 5 FEBDMO COc1cc(C[N@@H+](CC(C)(C)O)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000545930784 673783347 /nfs/dbraw/zinc/78/33/47/673783347.db2.gz LQQDBOVYBFDTJO-UHFFFAOYSA-N 1 1 356.394 2.494 20 5 FEBDMO Cc1c(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744801186 673811714 /nfs/dbraw/zinc/81/17/14/673811714.db2.gz MVUJOTOXPLUBNX-JTQLQIEISA-N 1 1 350.375 2.191 20 5 FEBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000745088915 673825184 /nfs/dbraw/zinc/82/51/84/673825184.db2.gz YQAKEERGUCAAOX-AWEZNQCLSA-N 1 1 352.387 2.400 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000745088915 673825187 /nfs/dbraw/zinc/82/51/87/673825187.db2.gz YQAKEERGUCAAOX-AWEZNQCLSA-N 1 1 352.387 2.400 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601356302 673847291 /nfs/dbraw/zinc/84/72/91/673847291.db2.gz MVOSGGMSPLDDSJ-NEPJUHHUSA-N 1 1 359.423 2.146 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])s1 ZINC000601363242 673848795 /nfs/dbraw/zinc/84/87/95/673848795.db2.gz VVDKXPFTFSHMKX-ZDUSSCGKSA-N 1 1 373.500 2.317 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746461659 673879505 /nfs/dbraw/zinc/87/95/05/673879505.db2.gz BZLGUJFUYUNGTC-OAHLLOKOSA-N 1 1 354.838 2.459 20 5 FEBDMO Cn1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)c([N+](=O)[O-])n1 ZINC000602829395 673911699 /nfs/dbraw/zinc/91/16/99/673911699.db2.gz JCKONMJBJWDURM-AWEZNQCLSA-N 1 1 369.219 2.088 20 5 FEBDMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000548021631 673915689 /nfs/dbraw/zinc/91/56/89/673915689.db2.gz SZKJGCGPXKTPTO-LBPRGKRZSA-N 1 1 350.448 2.052 20 5 FEBDMO C[C@H]1COCC[N@H+]1C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000603400376 673929759 /nfs/dbraw/zinc/92/97/59/673929759.db2.gz GXYAFKIGEMSYIE-NSHDSACASA-N 1 1 363.443 2.289 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000567771248 675320767 /nfs/dbraw/zinc/32/07/67/675320767.db2.gz WQIQEKIKZFHWQD-DOMZBBRYSA-N 1 1 355.460 2.118 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000819911257 675323205 /nfs/dbraw/zinc/32/32/05/675323205.db2.gz HYQFLVIBAKXESA-WCQYABFASA-N 1 1 373.862 2.271 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000820827087 675391589 /nfs/dbraw/zinc/39/15/89/675391589.db2.gz JRZHKCJJVBWQFI-CYBMUJFWSA-N 1 1 368.821 2.311 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000823133258 675531458 /nfs/dbraw/zinc/53/14/58/675531458.db2.gz LKKYYCONUAQVLG-JTQLQIEISA-N 1 1 371.235 2.106 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000825480878 675655395 /nfs/dbraw/zinc/65/53/95/675655395.db2.gz AGADFVSELGCZKP-VXGBXAGGSA-N 1 1 350.394 2.157 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826845858 675709855 /nfs/dbraw/zinc/70/98/55/675709855.db2.gz MIVVLCWJVGNPSD-NSHDSACASA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000826845858 675709856 /nfs/dbraw/zinc/70/98/56/675709856.db2.gz MIVVLCWJVGNPSD-NSHDSACASA-N 1 1 366.219 2.471 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1C ZINC000827574345 675766037 /nfs/dbraw/zinc/76/60/37/675766037.db2.gz YHOBKGBRFVSFTH-VHSXEESVSA-N 1 1 371.235 2.307 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1C ZINC000827574345 675766039 /nfs/dbraw/zinc/76/60/39/675766039.db2.gz YHOBKGBRFVSFTH-VHSXEESVSA-N 1 1 371.235 2.307 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2CCC[N@H+]2CCCO)cc1Cl ZINC000828423531 675819015 /nfs/dbraw/zinc/81/90/15/675819015.db2.gz WWJQTOLTDACHMI-LLVKDONJSA-N 1 1 371.821 2.294 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](OC)CC2)cc1[N+](=O)[O-] ZINC000616136181 676240496 /nfs/dbraw/zinc/24/04/96/676240496.db2.gz OPXCCSOSWWKHNY-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=S)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000761546239 680726614 /nfs/dbraw/zinc/72/66/14/680726614.db2.gz DESGUYOLJWLOOV-CYBMUJFWSA-N 1 1 352.460 2.382 20 5 FEBDMO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000839493629 680756712 /nfs/dbraw/zinc/75/67/12/680756712.db2.gz ZBUMRROETUHREK-CYBMUJFWSA-N 1 1 352.822 2.355 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000840180979 680805120 /nfs/dbraw/zinc/80/51/20/680805120.db2.gz YHRTXBNVXTXFJF-JTQLQIEISA-N 1 1 350.400 2.240 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000840180979 680805121 /nfs/dbraw/zinc/80/51/21/680805121.db2.gz YHRTXBNVXTXFJF-JTQLQIEISA-N 1 1 350.400 2.240 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749993812 680093594 /nfs/dbraw/zinc/09/35/94/680093594.db2.gz PXXPWKAEWCFCST-UHFFFAOYSA-N 1 1 368.865 2.396 20 5 FEBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2C(F)(F)F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139903 680100941 /nfs/dbraw/zinc/10/09/41/680100941.db2.gz QNLGHQXWOXSMIX-HKUMRIAESA-N 1 1 357.332 2.107 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000832778211 680176090 /nfs/dbraw/zinc/17/60/90/680176090.db2.gz JMJTUNGPINYZPG-CQSZACIVSA-N 1 1 352.410 2.477 20 5 FEBDMO CC(C)N1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000832778211 680176092 /nfs/dbraw/zinc/17/60/92/680176092.db2.gz JMJTUNGPINYZPG-CQSZACIVSA-N 1 1 352.410 2.477 20 5 FEBDMO CC(C)N1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000832778211 680176094 /nfs/dbraw/zinc/17/60/94/680176094.db2.gz JMJTUNGPINYZPG-CQSZACIVSA-N 1 1 352.410 2.477 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000752234497 680231108 /nfs/dbraw/zinc/23/11/08/680231108.db2.gz IJLISLBOKIKLHE-OLZOCXBDSA-N 1 1 373.862 2.462 20 5 FEBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754997362 680393201 /nfs/dbraw/zinc/39/32/01/680393201.db2.gz MPOUMMMKGFDDEM-VIFPVBQESA-N 1 1 360.183 2.320 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000836541533 680481418 /nfs/dbraw/zinc/48/14/18/680481418.db2.gz GUGZOOXVQFSTAQ-NEPJUHHUSA-N 1 1 353.806 2.150 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)OCC[NH+]2CCSCC2)cc1OC ZINC000757931671 680543373 /nfs/dbraw/zinc/54/33/73/680543373.db2.gz QYDAXBRFPGHDBJ-UHFFFAOYSA-N 1 1 370.427 2.208 20 5 FEBDMO CSC[C@@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000767771557 680925724 /nfs/dbraw/zinc/92/57/24/680925724.db2.gz RPGHZPRGIPMRCS-AWEZNQCLSA-N 1 1 364.427 2.148 20 5 FEBDMO CSC[C@@H]1CCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000767771557 680925725 /nfs/dbraw/zinc/92/57/25/680925725.db2.gz RPGHZPRGIPMRCS-AWEZNQCLSA-N 1 1 364.427 2.148 20 5 FEBDMO C[N@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C[C@@](C)(O)c1ccccc1 ZINC000842628473 680955933 /nfs/dbraw/zinc/95/59/33/680955933.db2.gz WFDTYHOPHAEAHB-CQSZACIVSA-N 1 1 369.219 2.351 20 5 FEBDMO C[N@@H+](Cn1cc(Br)c([N+](=O)[O-])n1)C[C@@](C)(O)c1ccccc1 ZINC000842628473 680955934 /nfs/dbraw/zinc/95/59/34/680955934.db2.gz WFDTYHOPHAEAHB-CQSZACIVSA-N 1 1 369.219 2.351 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000843831540 681020972 /nfs/dbraw/zinc/02/09/72/681020972.db2.gz QQWSBZIYGVHSBI-ZDUSSCGKSA-N 1 1 353.394 2.009 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000843831539 681021066 /nfs/dbraw/zinc/02/10/66/681021066.db2.gz QQWSBZIYGVHSBI-CYBMUJFWSA-N 1 1 353.394 2.009 20 5 FEBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845500097 681133063 /nfs/dbraw/zinc/13/30/63/681133063.db2.gz IJOZMHKILKLXHB-ZDUSSCGKSA-N 1 1 370.812 2.130 20 5 FEBDMO Cc1cc(S(=O)(=O)NCCC[N@H+](C)CC(C)C)cc([N+](=O)[O-])c1F ZINC000845956261 681164952 /nfs/dbraw/zinc/16/49/52/681164952.db2.gz ISQFEQUZCMIRSM-UHFFFAOYSA-N 1 1 361.439 2.299 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932150180 681184400 /nfs/dbraw/zinc/18/44/00/681184400.db2.gz OFBVLGGGYPVRLX-CYBMUJFWSA-N 1 1 369.849 2.408 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]2CC1 ZINC000946589299 681244556 /nfs/dbraw/zinc/24/45/56/681244556.db2.gz QOIFHGMFHIUPLN-YVECIDJPSA-N 1 1 362.257 2.141 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CC=C(Cl)Cl)C[C@H]2CC1 ZINC000946589299 681244560 /nfs/dbraw/zinc/24/45/60/681244560.db2.gz QOIFHGMFHIUPLN-YVECIDJPSA-N 1 1 362.257 2.141 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CC=C(Cl)Cl)C[C@H]2CC1 ZINC000946589299 681244564 /nfs/dbraw/zinc/24/45/64/681244564.db2.gz QOIFHGMFHIUPLN-YVECIDJPSA-N 1 1 362.257 2.141 20 5 FEBDMO CN(CC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000776598532 681413655 /nfs/dbraw/zinc/41/36/55/681413655.db2.gz PUQCWOCTUSENND-OAHLLOKOSA-N 1 1 353.419 2.427 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000777800345 681531606 /nfs/dbraw/zinc/53/16/06/681531606.db2.gz PCBYMXDNZZFWPR-GHMZBOCLSA-N 1 1 363.443 2.450 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848509642 681567371 /nfs/dbraw/zinc/56/73/71/681567371.db2.gz LMOMAKKHUOBPST-STQMWFEESA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848509642 681567377 /nfs/dbraw/zinc/56/73/77/681567377.db2.gz LMOMAKKHUOBPST-STQMWFEESA-N 1 1 357.407 2.029 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580644 681581827 /nfs/dbraw/zinc/58/18/27/681581827.db2.gz CMZYMSJSNFLVIM-UHFFFAOYSA-N 1 1 354.313 2.278 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580215 681582078 /nfs/dbraw/zinc/58/20/78/681582078.db2.gz KPASCKRCQKDOJD-LLVKDONJSA-N 1 1 355.341 2.167 20 5 FEBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000912952538 685467898 /nfs/dbraw/zinc/46/78/98/685467898.db2.gz PMMDGNGCLNRPIY-UHFFFAOYSA-N 1 1 369.849 2.408 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000935819265 681829420 /nfs/dbraw/zinc/82/94/20/681829420.db2.gz RDICXIVIRWGCNV-UHFFFAOYSA-N 1 1 366.487 2.073 20 5 FEBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852695571 682321790 /nfs/dbraw/zinc/32/17/90/682321790.db2.gz BWOZNANDNQRHAG-JGZJWPJOSA-N 1 1 355.778 2.070 20 5 FEBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000852695571 682321796 /nfs/dbraw/zinc/32/17/96/682321796.db2.gz BWOZNANDNQRHAG-JGZJWPJOSA-N 1 1 355.778 2.070 20 5 FEBDMO CC(C)(C)OC(=O)N1CC([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000785867868 682332816 /nfs/dbraw/zinc/33/28/16/682332816.db2.gz CXWWGYLKLNTRDC-UHFFFAOYSA-N 1 1 351.407 2.048 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(=S)n(CN3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000853552443 682432002 /nfs/dbraw/zinc/43/20/02/682432002.db2.gz GAQRTAFJBPOHLF-CYBMUJFWSA-N 1 1 364.427 2.236 20 5 FEBDMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000788489815 682533189 /nfs/dbraw/zinc/53/31/89/682533189.db2.gz QZOBUATZASANRL-NSHDSACASA-N 1 1 367.402 2.493 20 5 FEBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000790452280 682679088 /nfs/dbraw/zinc/67/90/88/682679088.db2.gz XGUDSVOEFNQOKR-CYBMUJFWSA-N 1 1 359.423 2.133 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000790452280 682679090 /nfs/dbraw/zinc/67/90/90/682679090.db2.gz XGUDSVOEFNQOKR-CYBMUJFWSA-N 1 1 359.423 2.133 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791337877 682735943 /nfs/dbraw/zinc/73/59/43/682735943.db2.gz XQFNFAXHNKGOAX-TUAOUCFPSA-N 1 1 352.410 2.412 20 5 FEBDMO COc1ccc(C(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000794669003 682988663 /nfs/dbraw/zinc/98/86/63/682988663.db2.gz NGUIBFLVXMGIKN-CQSZACIVSA-N 1 1 352.387 2.117 20 5 FEBDMO Cc1sc(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1[N+](=O)[O-] ZINC000926181758 683090196 /nfs/dbraw/zinc/09/01/96/683090196.db2.gz CPOLKCRINCOWQR-WBMRYOJMSA-N 1 1 367.471 2.174 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000796110098 683129639 /nfs/dbraw/zinc/12/96/39/683129639.db2.gz AJFDAHWBNKHXQW-UHFFFAOYSA-N 1 1 367.427 2.113 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000796110098 683129640 /nfs/dbraw/zinc/12/96/40/683129640.db2.gz AJFDAHWBNKHXQW-UHFFFAOYSA-N 1 1 367.427 2.113 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928093143 683382682 /nfs/dbraw/zinc/38/26/82/683382682.db2.gz LHLGNXMNNHDKFN-DOMZBBRYSA-N 1 1 360.439 2.386 20 5 FEBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928094081 683383921 /nfs/dbraw/zinc/38/39/21/683383921.db2.gz ZMHXRFVEQOHTEP-UONOGXRCSA-N 1 1 371.409 2.383 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928094081 683383927 /nfs/dbraw/zinc/38/39/27/683383927.db2.gz ZMHXRFVEQOHTEP-UONOGXRCSA-N 1 1 371.409 2.383 20 5 FEBDMO O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928102825 683392763 /nfs/dbraw/zinc/39/27/63/683392763.db2.gz OBKDSVLCCMVHTE-TZMCWYRMSA-N 1 1 367.496 2.383 20 5 FEBDMO O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928102825 683392767 /nfs/dbraw/zinc/39/27/67/683392767.db2.gz OBKDSVLCCMVHTE-TZMCWYRMSA-N 1 1 367.496 2.383 20 5 FEBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000928105722 683396210 /nfs/dbraw/zinc/39/62/10/683396210.db2.gz VQTFLOZQUIVSIE-TZMCWYRMSA-N 1 1 357.382 2.183 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000928105722 683396216 /nfs/dbraw/zinc/39/62/16/683396216.db2.gz VQTFLOZQUIVSIE-TZMCWYRMSA-N 1 1 357.382 2.183 20 5 FEBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000928105721 683396403 /nfs/dbraw/zinc/39/64/03/683396403.db2.gz VQTFLOZQUIVSIE-OCCSQVGLSA-N 1 1 357.382 2.183 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000928105721 683396411 /nfs/dbraw/zinc/39/64/11/683396411.db2.gz VQTFLOZQUIVSIE-OCCSQVGLSA-N 1 1 357.382 2.183 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000862037817 683520576 /nfs/dbraw/zinc/52/05/76/683520576.db2.gz MWFYEWHAOHFRPG-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000865008360 683922104 /nfs/dbraw/zinc/92/21/04/683922104.db2.gz YVWXFKXAOIMDQB-LLVKDONJSA-N 1 1 368.231 2.253 20 5 FEBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867220384 684227951 /nfs/dbraw/zinc/22/79/51/684227951.db2.gz LVDCRKMHDNJYBW-LBPRGKRZSA-N 1 1 359.423 2.147 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867220384 684227954 /nfs/dbraw/zinc/22/79/54/684227954.db2.gz LVDCRKMHDNJYBW-LBPRGKRZSA-N 1 1 359.423 2.147 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000931333310 684263545 /nfs/dbraw/zinc/26/35/45/684263545.db2.gz DOSZSCKUUBKPAN-AOOOYVTPSA-N 1 1 369.219 2.383 20 5 FEBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481813 686387866 /nfs/dbraw/zinc/38/78/66/686387866.db2.gz SXRAFDXKZMTDTP-JKSUJKDBSA-N 1 1 352.431 2.057 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000877514362 686397848 /nfs/dbraw/zinc/39/78/48/686397848.db2.gz KWPOUOJONLSAIT-CQSZACIVSA-N 1 1 355.460 2.067 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000877514362 686397855 /nfs/dbraw/zinc/39/78/55/686397855.db2.gz KWPOUOJONLSAIT-CQSZACIVSA-N 1 1 355.460 2.067 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCSC[C@H]2c2ccccc2)c1 ZINC000880388756 687043269 /nfs/dbraw/zinc/04/32/69/687043269.db2.gz UTFJJTRBUKMVQM-IRXDYDNUSA-N 1 1 362.455 2.332 20 5 FEBDMO CC[N@@H+](CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000881863560 687237739 /nfs/dbraw/zinc/23/77/39/687237739.db2.gz BNWPOUANIVPFSN-UHFFFAOYSA-N 1 1 356.220 2.458 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C[C@]2(C)C1 ZINC000893600037 689372779 /nfs/dbraw/zinc/37/27/79/689372779.db2.gz AIQFGTUFXZNZMP-WBMJQRKESA-N 1 1 352.822 2.341 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCC[N@H+]4CCSC[C@@H]34)cc2N1 ZINC000895573433 689737836 /nfs/dbraw/zinc/73/78/36/689737836.db2.gz YICMMIVYCCZHAV-LRDDRELGSA-N 1 1 362.455 2.471 20 5 FEBDMO C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896579279 689899953 /nfs/dbraw/zinc/89/99/53/689899953.db2.gz BQFATQIUDJITHW-FZMZJTMJSA-N 1 1 362.455 2.174 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900581567 690534666 /nfs/dbraw/zinc/53/46/66/690534666.db2.gz ZWDJAWRRGXVCBS-LLVKDONJSA-N 1 1 359.785 2.228 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000903215168 690867966 /nfs/dbraw/zinc/86/79/66/690867966.db2.gz ZCZFMZJHYPXQIW-NSHDSACASA-N 1 1 359.835 2.025 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907458182 691488018 /nfs/dbraw/zinc/48/80/18/691488018.db2.gz ZNYKSJBNGSXNRG-NSHDSACASA-N 1 1 372.828 2.143 20 5 FEBDMO Cc1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164867073 721063472 /nfs/dbraw/zinc/06/34/72/721063472.db2.gz HKZBHIGGRHLJQN-IRXDYDNUSA-N 1 1 369.425 2.173 20 5 FEBDMO COc1cc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164784309 721405520 /nfs/dbraw/zinc/40/55/20/721405520.db2.gz JMOGDFYHKIVQBE-RYUDHWBXSA-N 1 1 361.427 2.023 20 5 FEBDMO Nc1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164906331 721539840 /nfs/dbraw/zinc/53/98/40/721539840.db2.gz JVLKKUYLCDOHHS-UKRRQHHQSA-N 1 1 373.388 2.053 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932685 721860817 /nfs/dbraw/zinc/86/08/17/721860817.db2.gz ZLEPRCGLUVIEIM-JKSUJKDBSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932685 721860819 /nfs/dbraw/zinc/86/08/19/721860819.db2.gz ZLEPRCGLUVIEIM-JKSUJKDBSA-N 1 1 355.442 2.358 20 5 FEBDMO COC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000026595530 539790556 /nfs/dbraw/zinc/79/05/56/539790556.db2.gz QJEOFAAPXDIVHO-UHFFFAOYSA-N 1 1 356.382 2.099 20 5 FEBDMO COCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000026447321 539786662 /nfs/dbraw/zinc/78/66/62/539786662.db2.gz ZJTZPIGALVMBHZ-UHFFFAOYSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1ccc(CC(=O)NCCCNc2ccc(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000531488674 540100559 /nfs/dbraw/zinc/10/05/59/540100559.db2.gz ILYJSFCTELACIB-UHFFFAOYSA-N 1 1 358.398 2.468 20 5 FEBDMO CC(C)[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000045487250 540215203 /nfs/dbraw/zinc/21/52/03/540215203.db2.gz NJXZLQMANHLOIT-QGZVFWFLSA-N 1 1 364.446 2.093 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000045744975 540225115 /nfs/dbraw/zinc/22/51/15/540225115.db2.gz SZNXUOPOTDUQME-GXTWGEPZSA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047011286 540284596 /nfs/dbraw/zinc/28/45/96/540284596.db2.gz FBRFHZLWLZSEEB-SOUVJXGZSA-N 1 1 364.446 2.234 20 5 FEBDMO C[C@@H](CNC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047011286 540284597 /nfs/dbraw/zinc/28/45/97/540284597.db2.gz FBRFHZLWLZSEEB-SOUVJXGZSA-N 1 1 364.446 2.234 20 5 FEBDMO Cc1cc(NC(=O)CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)no1 ZINC000047743733 540326701 /nfs/dbraw/zinc/32/67/01/540326701.db2.gz XPZLMYSGYVGZHB-UHFFFAOYSA-N 1 1 359.386 2.042 20 5 FEBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000053483667 540539047 /nfs/dbraw/zinc/53/90/47/540539047.db2.gz LFZDQKUNUZPSCI-UHFFFAOYSA-N 1 1 359.430 2.455 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000053690958 540550267 /nfs/dbraw/zinc/55/02/67/540550267.db2.gz DQCRICIXBWBZMC-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000053690958 540550271 /nfs/dbraw/zinc/55/02/71/540550271.db2.gz DQCRICIXBWBZMC-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO CNc1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000054220849 540575588 /nfs/dbraw/zinc/57/55/88/540575588.db2.gz PYWNFCXGWIONRO-UHFFFAOYSA-N 1 1 360.439 2.486 20 5 FEBDMO CNc1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000054220849 540575590 /nfs/dbraw/zinc/57/55/90/540575590.db2.gz PYWNFCXGWIONRO-UHFFFAOYSA-N 1 1 360.439 2.486 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000054038931 540565705 /nfs/dbraw/zinc/56/57/05/540565705.db2.gz CIXZAAXBVZBVLT-OAHLLOKOSA-N 1 1 361.402 2.202 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000550624713 674102813 /nfs/dbraw/zinc/10/28/13/674102813.db2.gz YQTOGGJIUGIVLP-NSHDSACASA-N 1 1 366.443 2.331 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000065721744 541255376 /nfs/dbraw/zinc/25/53/76/541255376.db2.gz RWKNZQZNHQVJGI-WBVHZDCISA-N 1 1 369.425 2.243 20 5 FEBDMO CCCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066544036 541333243 /nfs/dbraw/zinc/33/32/43/541333243.db2.gz WWDBMATXYHVROD-OAHLLOKOSA-N 1 1 356.444 2.263 20 5 FEBDMO CCCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000066544036 541333247 /nfs/dbraw/zinc/33/32/47/541333247.db2.gz WWDBMATXYHVROD-OAHLLOKOSA-N 1 1 356.444 2.263 20 5 FEBDMO CCCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066543671 541333612 /nfs/dbraw/zinc/33/36/12/541333612.db2.gz ZLVHMYLTKUXVNL-OAHLLOKOSA-N 1 1 356.444 2.263 20 5 FEBDMO CCCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000066543671 541333616 /nfs/dbraw/zinc/33/36/16/541333616.db2.gz ZLVHMYLTKUXVNL-OAHLLOKOSA-N 1 1 356.444 2.263 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067165101 541428392 /nfs/dbraw/zinc/42/83/92/541428392.db2.gz CGFOJHZMIULZPK-NVXWUHKLSA-N 1 1 355.398 2.137 20 5 FEBDMO CC(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000067419450 541461828 /nfs/dbraw/zinc/46/18/28/541461828.db2.gz RVULXIDQLBUSIO-HNNXBMFYSA-N 1 1 362.430 2.080 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000068467698 541596286 /nfs/dbraw/zinc/59/62/86/541596286.db2.gz LNACGINNVDTZJD-UHFFFAOYSA-N 1 1 351.451 2.070 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000068777578 541626346 /nfs/dbraw/zinc/62/63/46/541626346.db2.gz HZVUNGHDIAAMCN-UHFFFAOYSA-N 1 1 357.414 2.337 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000069137374 541661967 /nfs/dbraw/zinc/66/19/67/541661967.db2.gz IDYHZKFDWBJCDI-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000069527403 541694216 /nfs/dbraw/zinc/69/42/16/541694216.db2.gz CDPNUGROEQWBFI-GFCCVEGCSA-N 1 1 353.444 2.157 20 5 FEBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073513943 541960728 /nfs/dbraw/zinc/96/07/28/541960728.db2.gz ILZYVEBMZUSSDE-SFHVURJKSA-N 1 1 370.409 2.149 20 5 FEBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073513943 541960733 /nfs/dbraw/zinc/96/07/33/541960733.db2.gz ILZYVEBMZUSSDE-SFHVURJKSA-N 1 1 370.409 2.149 20 5 FEBDMO Cc1ccc(C)c([C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H](C)CO2)c1 ZINC000075837219 542206838 /nfs/dbraw/zinc/20/68/38/542206838.db2.gz HWXUHFAHJXIBEM-AYBZRNKSSA-N 1 1 374.441 2.231 20 5 FEBDMO Cc1ccc(C)c([C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H](C)CO2)c1 ZINC000075837219 542206840 /nfs/dbraw/zinc/20/68/40/542206840.db2.gz HWXUHFAHJXIBEM-AYBZRNKSSA-N 1 1 374.441 2.231 20 5 FEBDMO Cc1nsc(N2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000075967262 542220343 /nfs/dbraw/zinc/22/03/43/542220343.db2.gz HGYMNRJHCLJYEE-UHFFFAOYSA-N 1 1 363.443 2.346 20 5 FEBDMO Cc1c(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000076331501 542260978 /nfs/dbraw/zinc/26/09/78/542260978.db2.gz PPENEHFWSAFKQL-UHFFFAOYSA-N 1 1 363.462 2.393 20 5 FEBDMO Cc1c(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000076331501 542260983 /nfs/dbraw/zinc/26/09/83/542260983.db2.gz PPENEHFWSAFKQL-UHFFFAOYSA-N 1 1 363.462 2.393 20 5 FEBDMO Cc1c(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000076380813 542270173 /nfs/dbraw/zinc/27/01/73/542270173.db2.gz CNJSAHOVELZYSL-ZDUSSCGKSA-N 1 1 372.429 2.088 20 5 FEBDMO C[C@@H](O)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512957 542465512 /nfs/dbraw/zinc/46/55/12/542465512.db2.gz LFOZKYDUEQWZHS-PBHICJAKSA-N 1 1 352.431 2.350 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)n1C ZINC000083737843 542703587 /nfs/dbraw/zinc/70/35/87/542703587.db2.gz ZCYWBQNXBXDDAX-UHFFFAOYSA-N 1 1 360.418 2.129 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000089933236 542776236 /nfs/dbraw/zinc/77/62/36/542776236.db2.gz XSDTVMGIVKAKLX-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1cccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089961879 542778720 /nfs/dbraw/zinc/77/87/20/542778720.db2.gz SQXHZIGDUYJUNF-IRXDYDNUSA-N 1 1 369.421 2.268 20 5 FEBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000247439790 549334201 /nfs/dbraw/zinc/33/42/01/549334201.db2.gz WNOGLJFNWWAWGF-NVXWUHKLSA-N 1 1 374.441 2.023 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000106864456 543250612 /nfs/dbraw/zinc/25/06/12/543250612.db2.gz FAKFZRXLOMVLEM-SWLSCSKDSA-N 1 1 351.403 2.167 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000109028043 543311355 /nfs/dbraw/zinc/31/13/55/543311355.db2.gz GVCLJAXYIMTEAM-OAHLLOKOSA-N 1 1 358.442 2.164 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109986258 543345482 /nfs/dbraw/zinc/34/54/82/543345482.db2.gz NRVVQLGPMQIZQI-GFCCVEGCSA-N 1 1 358.398 2.041 20 5 FEBDMO CN(C(=O)C[N@H+](CCO)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000112698835 543457458 /nfs/dbraw/zinc/45/74/58/543457458.db2.gz QGDXEPPDTIUSIZ-UHFFFAOYSA-N 1 1 357.410 2.095 20 5 FEBDMO CN(C(=O)C[N@@H+](CCO)CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000112698835 543457460 /nfs/dbraw/zinc/45/74/60/543457460.db2.gz QGDXEPPDTIUSIZ-UHFFFAOYSA-N 1 1 357.410 2.095 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](COC)C2)c([N+](=O)[O-])c1 ZINC000112991475 543471699 /nfs/dbraw/zinc/47/16/99/543471699.db2.gz VFXLXPBEODADCW-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](COC)C2)c([N+](=O)[O-])c1 ZINC000112991475 543471701 /nfs/dbraw/zinc/47/17/01/543471701.db2.gz VFXLXPBEODADCW-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000113646585 543494691 /nfs/dbraw/zinc/49/46/91/543494691.db2.gz NAPMUNUNJZWACP-HNNXBMFYSA-N 1 1 362.430 2.222 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000115437131 543567570 /nfs/dbraw/zinc/56/75/70/543567570.db2.gz BJURRVIAGQNJHG-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO COCC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(C)C ZINC000117335244 543629393 /nfs/dbraw/zinc/62/93/93/543629393.db2.gz RAJBEQFTSVINCJ-UHFFFAOYSA-N 1 1 351.403 2.497 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000121782667 543699355 /nfs/dbraw/zinc/69/93/55/543699355.db2.gz PTIVIUYQKXQMCI-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO CN(C(=O)C[N@H+]1CCC[C@@H](Cc2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123713432 543778487 /nfs/dbraw/zinc/77/84/87/543778487.db2.gz HNTNNEAEXSOQBV-HNNXBMFYSA-N 1 1 371.441 2.246 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@@H](C)O1 ZINC000247485032 549342723 /nfs/dbraw/zinc/34/27/23/549342723.db2.gz GERTYSQYRNOALR-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128933072 544081233 /nfs/dbraw/zinc/08/12/33/544081233.db2.gz NHNUHWQASSFRAD-GFCCVEGCSA-N 1 1 367.377 2.338 20 5 FEBDMO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000130115562 544139104 /nfs/dbraw/zinc/13/91/04/544139104.db2.gz RCSBHPWZUKYRDQ-GFCCVEGCSA-N 1 1 365.386 2.165 20 5 FEBDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000130115562 544139107 /nfs/dbraw/zinc/13/91/07/544139107.db2.gz RCSBHPWZUKYRDQ-GFCCVEGCSA-N 1 1 365.386 2.165 20 5 FEBDMO C[NH+](C)CCN(Cc1ccco1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000130115189 544139318 /nfs/dbraw/zinc/13/93/18/544139318.db2.gz PAQUQEAZRXRVAJ-UHFFFAOYSA-N 1 1 357.370 2.268 20 5 FEBDMO CCOC(=O)CC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000130366215 544148175 /nfs/dbraw/zinc/14/81/75/544148175.db2.gz JLLLZEUKRWHXMS-UHFFFAOYSA-N 1 1 363.414 2.223 20 5 FEBDMO C[C@H]1C[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000131960810 544213687 /nfs/dbraw/zinc/21/36/87/544213687.db2.gz OMLBRBLDAXLLEB-DOTOQJQBSA-N 1 1 371.441 2.208 20 5 FEBDMO Cc1ccc(NCCCNC(=O)[C@@H](C)[NH+]2CCSCC2)c([N+](=O)[O-])c1 ZINC000132319919 544227187 /nfs/dbraw/zinc/22/71/87/544227187.db2.gz QEFKBJURMFIKSP-CQSZACIVSA-N 1 1 366.487 2.259 20 5 FEBDMO CS(=O)(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000135238512 544338918 /nfs/dbraw/zinc/33/89/18/544338918.db2.gz ZHBOQISZLNDXQE-CQSZACIVSA-N 1 1 367.471 2.231 20 5 FEBDMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)CCc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000150983025 544493122 /nfs/dbraw/zinc/49/31/22/544493122.db2.gz FZBKNESXUGMVPB-LJQANCHMSA-N 1 1 374.485 2.156 20 5 FEBDMO CSc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000150730054 544465011 /nfs/dbraw/zinc/46/50/11/544465011.db2.gz UIGMXFSCDZZICR-GFCCVEGCSA-N 1 1 353.444 2.015 20 5 FEBDMO CN(C(=O)C[N@H+](C)CCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000150839092 544477371 /nfs/dbraw/zinc/47/73/71/544477371.db2.gz RLFDCYFQTNMGLU-UHFFFAOYSA-N 1 1 351.403 2.221 20 5 FEBDMO CN(C(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000150839092 544477373 /nfs/dbraw/zinc/47/73/73/544477373.db2.gz RLFDCYFQTNMGLU-UHFFFAOYSA-N 1 1 351.403 2.221 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000151834972 544586419 /nfs/dbraw/zinc/58/64/19/544586419.db2.gz ZKUIOMFKZSPFNZ-GDBMZVCRSA-N 1 1 359.382 2.375 20 5 FEBDMO C[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCSCC1 ZINC000152869030 544705861 /nfs/dbraw/zinc/70/58/61/544705861.db2.gz JTPHQBLJARIBFY-AWEZNQCLSA-N 1 1 351.472 2.471 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000152923880 544711819 /nfs/dbraw/zinc/71/18/19/544711819.db2.gz WYGRROWAOAOVBP-RISCZKNCSA-N 1 1 373.862 2.353 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000153941882 544843388 /nfs/dbraw/zinc/84/33/88/544843388.db2.gz HXYUQMJLZDXZOE-PHIMTYICSA-N 1 1 371.384 2.491 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000153941882 544843391 /nfs/dbraw/zinc/84/33/91/544843391.db2.gz HXYUQMJLZDXZOE-PHIMTYICSA-N 1 1 371.384 2.491 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154161987 544872453 /nfs/dbraw/zinc/87/24/53/544872453.db2.gz GCADPCNPLAQSJJ-HIFRSBDPSA-N 1 1 351.403 2.227 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154161987 544872455 /nfs/dbraw/zinc/87/24/55/544872455.db2.gz GCADPCNPLAQSJJ-HIFRSBDPSA-N 1 1 351.403 2.227 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000247530801 549351614 /nfs/dbraw/zinc/35/16/14/549351614.db2.gz OZTATBUCZXKHTJ-UKRRQHHQSA-N 1 1 353.444 2.008 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000154819243 544953214 /nfs/dbraw/zinc/95/32/14/544953214.db2.gz XQAGWCQBORZKFG-SFHVURJKSA-N 1 1 357.414 2.113 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000184766274 327882571 /nfs/dbraw/zinc/88/25/71/327882571.db2.gz VAIRLZHWRTUFKP-MRXNPFEDSA-N 1 1 363.458 2.079 20 5 FEBDMO Cc1cc(NCC[N@H+]2CCCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000188495075 328090754 /nfs/dbraw/zinc/09/07/54/328090754.db2.gz KCHCLWUXAITTHH-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000188676255 328103544 /nfs/dbraw/zinc/10/35/44/328103544.db2.gz KWCUBYOHAPWYSH-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000188676255 328103546 /nfs/dbraw/zinc/10/35/46/328103546.db2.gz KWCUBYOHAPWYSH-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H](O)C(F)(F)F ZINC000189536105 328153629 /nfs/dbraw/zinc/15/36/29/328153629.db2.gz STFHFGXEMPLKEH-ZDUSSCGKSA-N 1 1 363.336 2.477 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190023167 328183187 /nfs/dbraw/zinc/18/31/87/328183187.db2.gz RIYDYGPAQLVPKR-HUUCEWRRSA-N 1 1 367.471 2.459 20 5 FEBDMO Cc1c(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000190046091 328184414 /nfs/dbraw/zinc/18/44/14/328184414.db2.gz WSMCSBVJQXJDIA-LBPRGKRZSA-N 1 1 350.419 2.212 20 5 FEBDMO O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193586460 328383847 /nfs/dbraw/zinc/38/38/47/328383847.db2.gz QDXMEOPLHIOVHB-OAHLLOKOSA-N 1 1 356.382 2.090 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000090519806 325361934 /nfs/dbraw/zinc/36/19/34/325361934.db2.gz RVYLWOAMJXYRRM-UHFFFAOYSA-N 1 1 362.817 2.232 20 5 FEBDMO O=C(CC[N@H+]1CCCN(CC(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000091084217 325373932 /nfs/dbraw/zinc/37/39/32/325373932.db2.gz ZNXQEBMZZOQCIO-UHFFFAOYSA-N 1 1 356.373 2.196 20 5 FEBDMO O=C(C[NH+]1CCC(n2ccnc2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000109793712 325677771 /nfs/dbraw/zinc/67/77/71/325677771.db2.gz ZTSSQRBUXCNSJD-UHFFFAOYSA-N 1 1 355.398 2.018 20 5 FEBDMO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843819 326107925 /nfs/dbraw/zinc/10/79/25/326107925.db2.gz FFRIUHVCHAXCSX-GFCCVEGCSA-N 1 1 354.838 2.460 20 5 FEBDMO Cc1c(CC(=O)N2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000119041735 326120849 /nfs/dbraw/zinc/12/08/49/326120849.db2.gz YAEOSXJKFQWFLW-GOSISDBHSA-N 1 1 374.485 2.074 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)o2)cc1 ZINC000119539112 326173308 /nfs/dbraw/zinc/17/33/08/326173308.db2.gz AMFXWTHBSQFNCP-CYBMUJFWSA-N 1 1 369.385 2.149 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](Cn4ccnn4)C3)o2)cc1 ZINC000119539112 326173310 /nfs/dbraw/zinc/17/33/10/326173310.db2.gz AMFXWTHBSQFNCP-CYBMUJFWSA-N 1 1 369.385 2.149 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000119594357 326179015 /nfs/dbraw/zinc/17/90/15/326179015.db2.gz UAQKPMXLEGGJLA-OAHLLOKOSA-N 1 1 371.441 2.488 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000119629199 326182361 /nfs/dbraw/zinc/18/23/61/326182361.db2.gz OHIPJNLTGKSZHM-CYBMUJFWSA-N 1 1 365.430 2.320 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000119716490 326191033 /nfs/dbraw/zinc/19/10/33/326191033.db2.gz XUZWCKWZRUMIDR-ZDUSSCGKSA-N 1 1 353.394 2.207 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000119878079 326208386 /nfs/dbraw/zinc/20/83/86/326208386.db2.gz RHSHOTGYQDFFKJ-ZDUSSCGKSA-N 1 1 353.444 2.157 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000120324489 326249649 /nfs/dbraw/zinc/24/96/49/326249649.db2.gz KAMWWAKGFYFWMM-MRXNPFEDSA-N 1 1 369.487 2.382 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3C[N@@H+]4CCCC[C@@H]4CO3)cc2N1 ZINC000120612169 326272623 /nfs/dbraw/zinc/27/26/23/326272623.db2.gz LKLKSDOUOZPHRD-KGLIPLIRSA-N 1 1 360.414 2.145 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3C[N@H+]4CCCC[C@@H]4CO3)cc2N1 ZINC000120612169 326272624 /nfs/dbraw/zinc/27/26/24/326272624.db2.gz LKLKSDOUOZPHRD-KGLIPLIRSA-N 1 1 360.414 2.145 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121197354 326320956 /nfs/dbraw/zinc/32/09/56/326320956.db2.gz HBAXWHLFCZADRN-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122450282 326397407 /nfs/dbraw/zinc/39/74/07/326397407.db2.gz WYANPQNHHCETDT-AAEUAGOBSA-N 1 1 373.862 2.353 20 5 FEBDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000133759589 326614459 /nfs/dbraw/zinc/61/44/59/326614459.db2.gz AOMXTSUGZMMODN-UHFFFAOYSA-N 1 1 368.437 2.489 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000160353534 326962522 /nfs/dbraw/zinc/96/25/22/326962522.db2.gz AVWOCENVHIRGEW-UHFFFAOYSA-N 1 1 363.458 2.344 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000162086314 327016704 /nfs/dbraw/zinc/01/67/04/327016704.db2.gz QWNVMYRTJRQRLW-UHFFFAOYSA-N 1 1 350.419 2.417 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000165502536 327078241 /nfs/dbraw/zinc/07/82/41/327078241.db2.gz AWHGWZIUXFFMFD-GFCCVEGCSA-N 1 1 363.443 2.032 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000173288305 327247069 /nfs/dbraw/zinc/24/70/69/327247069.db2.gz YOTARQXFUBGLIY-QGZVFWFLSA-N 1 1 360.458 2.145 20 5 FEBDMO Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173472803 327259671 /nfs/dbraw/zinc/25/96/71/327259671.db2.gz MHUNFQXDKMMYRM-RDJZCZTQSA-N 1 1 372.425 2.224 20 5 FEBDMO CN(CC(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000173767401 327282708 /nfs/dbraw/zinc/28/27/08/327282708.db2.gz PRHJIAVLDLDGPE-UHFFFAOYSA-N 1 1 356.426 2.279 20 5 FEBDMO C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174738132 327347584 /nfs/dbraw/zinc/34/75/84/327347584.db2.gz IJOUKVUOOFGVMW-CQSZACIVSA-N 1 1 358.320 2.303 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000249745642 328779231 /nfs/dbraw/zinc/77/92/31/328779231.db2.gz MZHGZDBOWQZSGW-UMVBOHGHSA-N 1 1 365.405 2.448 20 5 FEBDMO CCN1CC[NH+](Cc2ccc(CNc3c([N+](=O)[O-])c(C)nn3C)cc2)CC1 ZINC000265144858 329096095 /nfs/dbraw/zinc/09/60/95/329096095.db2.gz RGKAFQHCZUPGRG-UHFFFAOYSA-N 1 1 372.473 2.386 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265224291 329104103 /nfs/dbraw/zinc/10/41/03/329104103.db2.gz AVHRLUZSZAYSEL-UHFFFAOYSA-N 1 1 373.837 2.102 20 5 FEBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266193203 329199033 /nfs/dbraw/zinc/19/90/33/329199033.db2.gz FNWVHKAKOFRFLW-GFCCVEGCSA-N 1 1 353.806 2.043 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266346038 329213434 /nfs/dbraw/zinc/21/34/34/329213434.db2.gz WDHGZZZMRSHPBT-LLVKDONJSA-N 1 1 361.851 2.211 20 5 FEBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267007288 329282435 /nfs/dbraw/zinc/28/24/35/329282435.db2.gz GBTPFOSUNKTMDC-CYBMUJFWSA-N 1 1 359.423 2.028 20 5 FEBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267007288 329282436 /nfs/dbraw/zinc/28/24/36/329282436.db2.gz GBTPFOSUNKTMDC-CYBMUJFWSA-N 1 1 359.423 2.028 20 5 FEBDMO CCN1CC[NH+](CCCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267213458 329302971 /nfs/dbraw/zinc/30/29/71/329302971.db2.gz HUCLPVWWVMOIBQ-UHFFFAOYSA-N 1 1 372.267 2.192 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCOCC(F)F)CC3)nc2c1 ZINC000276227480 330131096 /nfs/dbraw/zinc/13/10/96/330131096.db2.gz MWDMQFPHLHHTDB-UHFFFAOYSA-N 1 1 369.372 2.265 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000291405324 330190857 /nfs/dbraw/zinc/19/08/57/330190857.db2.gz WRURYOOJRBYOIG-RHSMWYFYSA-N 1 1 374.441 2.038 20 5 FEBDMO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000375783087 330251139 /nfs/dbraw/zinc/25/11/39/330251139.db2.gz BIRLZXVUEGKQJR-NVXWUHKLSA-N 1 1 363.414 2.464 20 5 FEBDMO O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000375783087 330251140 /nfs/dbraw/zinc/25/11/40/330251140.db2.gz BIRLZXVUEGKQJR-NVXWUHKLSA-N 1 1 363.414 2.464 20 5 FEBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000554077409 674302574 /nfs/dbraw/zinc/30/25/74/674302574.db2.gz NAVSXKVPNKEGTH-NSHDSACASA-N 1 1 359.835 2.105 20 5 FEBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000554077409 674302577 /nfs/dbraw/zinc/30/25/77/674302577.db2.gz NAVSXKVPNKEGTH-NSHDSACASA-N 1 1 359.835 2.105 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000555751240 674374961 /nfs/dbraw/zinc/37/49/61/674374961.db2.gz RPFXIHPNFXLSHD-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000555751240 674374962 /nfs/dbraw/zinc/37/49/62/674374962.db2.gz RPFXIHPNFXLSHD-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155524212 545536548 /nfs/dbraw/zinc/53/65/48/545536548.db2.gz ZJXVNPXCRRYJQK-OGHNNQOOSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155524212 545536555 /nfs/dbraw/zinc/53/65/55/545536555.db2.gz ZJXVNPXCRRYJQK-OGHNNQOOSA-N 1 1 363.414 2.431 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000158557491 545871632 /nfs/dbraw/zinc/87/16/32/545871632.db2.gz USCCSKYZWXIMIW-NSHDSACASA-N 1 1 359.473 2.294 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H](CN4CCOCC4)C3)nc2c1 ZINC000177070109 546537619 /nfs/dbraw/zinc/53/76/19/546537619.db2.gz GIQNQFUINZTFMF-AWEZNQCLSA-N 1 1 360.414 2.280 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](CN4CCOCC4)C3)nc2c1 ZINC000177070109 546537625 /nfs/dbraw/zinc/53/76/25/546537625.db2.gz GIQNQFUINZTFMF-AWEZNQCLSA-N 1 1 360.414 2.280 20 5 FEBDMO CC(C)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000480763360 561216231 /nfs/dbraw/zinc/21/62/31/561216231.db2.gz WRYCNPQVPODGRV-UHFFFAOYSA-N 1 1 359.423 2.134 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000481130071 561225840 /nfs/dbraw/zinc/22/58/40/561225840.db2.gz YUCILWSOJTYMBR-STQMWFEESA-N 1 1 362.430 2.158 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(NCCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000481694533 561238792 /nfs/dbraw/zinc/23/87/92/561238792.db2.gz UMVOOBLMXPSXQD-UHFFFAOYSA-N 1 1 356.430 2.317 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000179554396 546976603 /nfs/dbraw/zinc/97/66/03/546976603.db2.gz TUQBKJWJDOYDTK-CQSZACIVSA-N 1 1 372.425 2.230 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000179754183 547008674 /nfs/dbraw/zinc/00/86/74/547008674.db2.gz AQULQFGKYLRTNI-UHFFFAOYSA-N 1 1 369.849 2.096 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[N@H+]1C ZINC000181162728 547262075 /nfs/dbraw/zinc/26/20/75/547262075.db2.gz OPNMNGZPTVJOQF-AHIWAGSCSA-N 1 1 360.414 2.029 20 5 FEBDMO CCCC[N@@H+](CCCO)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000182145444 547444334 /nfs/dbraw/zinc/44/43/34/547444334.db2.gz HCZRVWDRRFGPDP-CYBMUJFWSA-N 1 1 353.419 2.415 20 5 FEBDMO C[S@@](=O)C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000183073836 547597053 /nfs/dbraw/zinc/59/70/53/547597053.db2.gz SDNZYLVVOIXDTA-SGANQWHYSA-N 1 1 361.423 2.243 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000183209777 547621115 /nfs/dbraw/zinc/62/11/15/547621115.db2.gz QGQVEBGJXLYEPU-KDOFPFPSSA-N 1 1 374.441 2.278 20 5 FEBDMO Cc1ccc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000183441867 547660446 /nfs/dbraw/zinc/66/04/46/547660446.db2.gz OCBAXQUQEXALPC-SFHVURJKSA-N 1 1 369.421 2.400 20 5 FEBDMO CCC(CC)[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000183547864 547678894 /nfs/dbraw/zinc/67/88/94/547678894.db2.gz ZBYAFYPRKJCVBL-OAHLLOKOSA-N 1 1 365.434 2.248 20 5 FEBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184193080 547784945 /nfs/dbraw/zinc/78/49/45/547784945.db2.gz AVEYNSLAYGOSCO-HNNXBMFYSA-N 1 1 369.425 2.309 20 5 FEBDMO Cc1cc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000184613307 547854778 /nfs/dbraw/zinc/85/47/78/547854778.db2.gz YBDSNEKYBYUSEZ-UHFFFAOYSA-N 1 1 363.462 2.441 20 5 FEBDMO COC(=O)c1cc(N[C@H](C)CCN2CC[NH+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC000184828356 547884529 /nfs/dbraw/zinc/88/45/29/547884529.db2.gz VJUVREPAIRAJHF-CQSZACIVSA-N 1 1 364.446 2.128 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000184916211 547900220 /nfs/dbraw/zinc/90/02/20/547900220.db2.gz HQHYJDQETZLAOD-ZYHUDNBSSA-N 1 1 359.423 2.146 20 5 FEBDMO C[N@H+]1CCCC12CCN(c1cccc(S(C)(=O)=O)c1[N+](=O)[O-])CC2 ZINC000485167092 561314204 /nfs/dbraw/zinc/31/42/04/561314204.db2.gz LYGAPMAXOSZULU-UHFFFAOYSA-N 1 1 353.444 2.063 20 5 FEBDMO C[C@@H](CCNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@@H+](C)Cc1ccccc1 ZINC000185198580 547950077 /nfs/dbraw/zinc/95/00/77/547950077.db2.gz CTUJSFCTAJFIRJ-ZDUSSCGKSA-N 1 1 357.414 2.212 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000185282262 547964825 /nfs/dbraw/zinc/96/48/25/547964825.db2.gz LCWXHGXICRXFQJ-DOMZBBRYSA-N 1 1 371.434 2.147 20 5 FEBDMO C[C@H](c1ccsc1)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000185500811 547994387 /nfs/dbraw/zinc/99/43/87/547994387.db2.gz IMGYQYAQFVFBKX-CQSZACIVSA-N 1 1 362.455 2.197 20 5 FEBDMO Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000186752995 548185014 /nfs/dbraw/zinc/18/50/14/548185014.db2.gz JQUMDZXAVDBPQA-ZDUSSCGKSA-N 1 1 350.419 2.212 20 5 FEBDMO Cc1cccc(NCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)[nH+]1 ZINC000486539554 561350213 /nfs/dbraw/zinc/35/02/13/561350213.db2.gz WQARUIPDCYKPKJ-UHFFFAOYSA-N 1 1 350.325 2.347 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000194620313 548506761 /nfs/dbraw/zinc/50/67/61/548506761.db2.gz NDQLCUPXARTSFX-MRXNPFEDSA-N 1 1 360.458 2.145 20 5 FEBDMO CC[N@H+]1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000194627983 548507982 /nfs/dbraw/zinc/50/79/82/548507982.db2.gz SBIYLTSPUKPQKQ-MRXNPFEDSA-N 1 1 360.458 2.412 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CCOc2ccccc2)CC1 ZINC000195336203 548627362 /nfs/dbraw/zinc/62/73/62/548627362.db2.gz OKGUNFHNKASKIO-UHFFFAOYSA-N 1 1 359.430 2.321 20 5 FEBDMO Cn1c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000487038309 561361992 /nfs/dbraw/zinc/36/19/92/561361992.db2.gz HOMNEKGWHCDGLL-MRXNPFEDSA-N 1 1 356.426 2.228 20 5 FEBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245436212 548918154 /nfs/dbraw/zinc/91/81/54/548918154.db2.gz QWNUONJIFQVPQF-HZPDHXFCSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245436212 548918157 /nfs/dbraw/zinc/91/81/57/548918157.db2.gz QWNUONJIFQVPQF-HZPDHXFCSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H]1c1ccccc1 ZINC000245515307 548936812 /nfs/dbraw/zinc/93/68/12/548936812.db2.gz DKYZIZZLUDFQBN-RHSMWYFYSA-N 1 1 369.377 2.499 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245528508 548939854 /nfs/dbraw/zinc/93/98/54/548939854.db2.gz BLWIBNRTBMCNRT-SUMWQHHRSA-N 1 1 365.430 2.415 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245528508 548939856 /nfs/dbraw/zinc/93/98/56/548939856.db2.gz BLWIBNRTBMCNRT-SUMWQHHRSA-N 1 1 365.430 2.415 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245560602 548946998 /nfs/dbraw/zinc/94/69/98/548946998.db2.gz WSLFTSLSSMKDSQ-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245560602 548947001 /nfs/dbraw/zinc/94/70/01/548947001.db2.gz WSLFTSLSSMKDSQ-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000488020729 561381515 /nfs/dbraw/zinc/38/15/15/561381515.db2.gz BYPKQLZLYXXYTK-OWCLPIDISA-N 1 1 352.431 2.472 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000246114045 549055852 /nfs/dbraw/zinc/05/58/52/549055852.db2.gz ILAWRDCIHDWZDI-KGLIPLIRSA-N 1 1 353.444 2.151 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246390757 549123033 /nfs/dbraw/zinc/12/30/33/549123033.db2.gz VPKJFPNPEBHJNP-SWLSCSKDSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000246390757 549123036 /nfs/dbraw/zinc/12/30/36/549123036.db2.gz VPKJFPNPEBHJNP-SWLSCSKDSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488641714 561393702 /nfs/dbraw/zinc/39/37/02/561393702.db2.gz FFMAWPVVFAAOKJ-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488641714 561393703 /nfs/dbraw/zinc/39/37/03/561393703.db2.gz FFMAWPVVFAAOKJ-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000488639862 561393727 /nfs/dbraw/zinc/39/37/27/561393727.db2.gz HNZWCCMWZYUZIW-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246654566 549183334 /nfs/dbraw/zinc/18/33/34/549183334.db2.gz LKLMVPAPMNZIOG-XJKSGUPXSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000247042642 549271338 /nfs/dbraw/zinc/27/13/38/549271338.db2.gz MUSIXMJEYFMABT-HOCLYGCPSA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247230042 549303278 /nfs/dbraw/zinc/30/32/78/549303278.db2.gz RYTUYUMTQLDJTR-BBRMVZONSA-N 1 1 371.441 2.420 20 5 FEBDMO C[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000248458630 549443516 /nfs/dbraw/zinc/44/35/16/549443516.db2.gz NCJQHAJSCSQYQG-MJGOQNOKSA-N 1 1 371.437 2.323 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000248678552 549482884 /nfs/dbraw/zinc/48/28/84/549482884.db2.gz UXODXLKRVJRREQ-UKRRQHHQSA-N 1 1 357.414 2.062 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000249183937 549565524 /nfs/dbraw/zinc/56/55/24/549565524.db2.gz NQVMFRPRYYQSMP-OLZOCXBDSA-N 1 1 371.459 2.002 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000249659172 549615243 /nfs/dbraw/zinc/61/52/43/549615243.db2.gz VVCWICDKCQEHEK-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255081066 549703321 /nfs/dbraw/zinc/70/33/21/549703321.db2.gz FZDLGIGFXNIZMI-QLBOMPFWSA-N 1 1 372.469 2.237 20 5 FEBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000490043140 561425076 /nfs/dbraw/zinc/42/50/76/561425076.db2.gz YKDBPMXJJLFHOU-LSDHHAIUSA-N 1 1 369.377 2.151 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1SC ZINC000490095182 561426448 /nfs/dbraw/zinc/42/64/48/561426448.db2.gz YFJSAFVYIISXFC-JTQLQIEISA-N 1 1 351.428 2.292 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000490439711 561433225 /nfs/dbraw/zinc/43/32/25/561433225.db2.gz CJHFFRXXNKVGAQ-AWEZNQCLSA-N 1 1 367.471 2.398 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000263686690 549919350 /nfs/dbraw/zinc/91/93/50/549919350.db2.gz ICROXEPNZSRBFC-JTQLQIEISA-N 1 1 363.443 2.118 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000263686690 549919353 /nfs/dbraw/zinc/91/93/53/549919353.db2.gz ICROXEPNZSRBFC-JTQLQIEISA-N 1 1 363.443 2.118 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427767 550064067 /nfs/dbraw/zinc/06/40/67/550064067.db2.gz DZRPULGUKNIJEQ-CYBMUJFWSA-N 1 1 361.402 2.288 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427767 550064070 /nfs/dbraw/zinc/06/40/70/550064070.db2.gz DZRPULGUKNIJEQ-CYBMUJFWSA-N 1 1 361.402 2.288 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427767 550064072 /nfs/dbraw/zinc/06/40/72/550064072.db2.gz DZRPULGUKNIJEQ-CYBMUJFWSA-N 1 1 361.402 2.288 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269808613 550227353 /nfs/dbraw/zinc/22/73/53/550227353.db2.gz GQRHMYMLTRFLKB-CYBMUJFWSA-N 1 1 363.414 2.216 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000270755856 550303874 /nfs/dbraw/zinc/30/38/74/550303874.db2.gz DIBXDVHKUMUADD-GFCCVEGCSA-N 1 1 363.443 2.032 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000270794339 550307350 /nfs/dbraw/zinc/30/73/50/550307350.db2.gz KQGNHRYKUOCXJK-GFCCVEGCSA-N 1 1 359.386 2.291 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272337491 550438972 /nfs/dbraw/zinc/43/89/72/550438972.db2.gz XVKJEWCTNRJFAN-CJNGLKHVSA-N 1 1 371.441 2.277 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000272893524 550475673 /nfs/dbraw/zinc/47/56/73/550475673.db2.gz YHRZWGMZWPZEJQ-LBPRGKRZSA-N 1 1 373.500 2.372 20 5 FEBDMO COCC[N@H+]1CC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000273247524 550491595 /nfs/dbraw/zinc/49/15/95/550491595.db2.gz YLPDDHVMPXXBGP-LBPRGKRZSA-N 1 1 373.862 2.177 20 5 FEBDMO COCC[N@H+](Cc1ccc(C)o1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273368509 550495942 /nfs/dbraw/zinc/49/59/42/550495942.db2.gz RIRUDCGMPNYSHL-HNNXBMFYSA-N 1 1 364.398 2.385 20 5 FEBDMO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000273500594 550500649 /nfs/dbraw/zinc/50/06/49/550500649.db2.gz OBYTUKDSMFISOE-OAHLLOKOSA-N 1 1 369.425 2.190 20 5 FEBDMO CCc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000273529470 550501875 /nfs/dbraw/zinc/50/18/75/550501875.db2.gz RNNRILRRESGJRT-UHFFFAOYSA-N 1 1 364.431 2.356 20 5 FEBDMO CCc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000273529470 550501876 /nfs/dbraw/zinc/50/18/76/550501876.db2.gz RNNRILRRESGJRT-UHFFFAOYSA-N 1 1 364.431 2.356 20 5 FEBDMO Cc1nnc([C@H](C)[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000273924404 550516029 /nfs/dbraw/zinc/51/60/29/550516029.db2.gz BRRBHWLFRCEQPF-NSHDSACASA-N 1 1 371.401 2.436 20 5 FEBDMO Cc1nnc([C@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000273924404 550516030 /nfs/dbraw/zinc/51/60/30/550516030.db2.gz BRRBHWLFRCEQPF-NSHDSACASA-N 1 1 371.401 2.436 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000494602848 561472506 /nfs/dbraw/zinc/47/25/06/561472506.db2.gz JXANBPZXQVCHCY-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000494602848 561472507 /nfs/dbraw/zinc/47/25/07/561472507.db2.gz JXANBPZXQVCHCY-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000274795172 550555080 /nfs/dbraw/zinc/55/50/80/550555080.db2.gz IWHQNVMYDZRBQO-ZDUSSCGKSA-N 1 1 364.402 2.004 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277480082 550675865 /nfs/dbraw/zinc/67/58/65/550675865.db2.gz IQGGKJNNIAHKEL-ZDUSSCGKSA-N 1 1 351.378 2.246 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCO1 ZINC000277660737 550698023 /nfs/dbraw/zinc/69/80/23/550698023.db2.gz OYUQFPAJUFJYGK-ZDUSSCGKSA-N 1 1 362.430 2.392 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCO1 ZINC000277660734 550698132 /nfs/dbraw/zinc/69/81/32/550698132.db2.gz OYUQFPAJUFJYGK-CYBMUJFWSA-N 1 1 362.430 2.392 20 5 FEBDMO C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754045 550710125 /nfs/dbraw/zinc/71/01/25/550710125.db2.gz RTRQPFSODYBJMU-LSDHHAIUSA-N 1 1 364.446 2.456 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000278418380 550783880 /nfs/dbraw/zinc/78/38/80/550783880.db2.gz BZTNMFDDXKEDIB-UHFFFAOYSA-N 1 1 363.805 2.253 20 5 FEBDMO Cc1cccnc1OC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000279225341 550866909 /nfs/dbraw/zinc/86/69/09/550866909.db2.gz IPXWBAJRQRALRV-UHFFFAOYSA-N 1 1 370.409 2.441 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[N@H+]1C1CC1 ZINC000279367791 550882246 /nfs/dbraw/zinc/88/22/46/550882246.db2.gz GQNPVIXWTSRQPC-GHMZBOCLSA-N 1 1 350.394 2.155 20 5 FEBDMO C[C@H]1C[C@@H](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000495456384 561488283 /nfs/dbraw/zinc/48/82/83/561488283.db2.gz AJVSFHUEHLRWRW-DZGCQCFKSA-N 1 1 357.414 2.348 20 5 FEBDMO C[C@H]1C[C@@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000495456384 561488284 /nfs/dbraw/zinc/48/82/84/561488284.db2.gz AJVSFHUEHLRWRW-DZGCQCFKSA-N 1 1 357.414 2.348 20 5 FEBDMO C[C@H]1C[C@@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000495456384 561488285 /nfs/dbraw/zinc/48/82/85/561488285.db2.gz AJVSFHUEHLRWRW-DZGCQCFKSA-N 1 1 357.414 2.348 20 5 FEBDMO C[C@H]1OCC[C@]12C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](C)O2 ZINC000279969350 550948252 /nfs/dbraw/zinc/94/82/52/550948252.db2.gz YUJKKLYQPZSVKY-LBTNJELSSA-N 1 1 363.414 2.192 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000281038078 551057156 /nfs/dbraw/zinc/05/71/56/551057156.db2.gz VDXDYNYTMRBNGI-VXGBXAGGSA-N 1 1 366.418 2.076 20 5 FEBDMO C[N@H+]1CCN(CCNc2ncc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000281543309 551111443 /nfs/dbraw/zinc/11/14/43/551111443.db2.gz BJYQHXMKAOQFQT-UHFFFAOYSA-N 1 1 372.267 2.190 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1(C)C ZINC000281886888 551153297 /nfs/dbraw/zinc/15/32/97/551153297.db2.gz XWQPCDXKCPBMEM-UHFFFAOYSA-N 1 1 354.838 2.004 20 5 FEBDMO CC[N@H+](CCOCCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000281902521 551155640 /nfs/dbraw/zinc/15/56/40/551155640.db2.gz BPECEKUQDKEUAM-UHFFFAOYSA-N 1 1 364.345 2.036 20 5 FEBDMO CC[N@@H+](CCOCCO)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000281902521 551155642 /nfs/dbraw/zinc/15/56/42/551155642.db2.gz BPECEKUQDKEUAM-UHFFFAOYSA-N 1 1 364.345 2.036 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)n1 ZINC000282868080 551279659 /nfs/dbraw/zinc/27/96/59/551279659.db2.gz VZJNNAMXFQJZDT-INIZCTEOSA-N 1 1 371.441 2.359 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282913201 551284772 /nfs/dbraw/zinc/28/47/72/551284772.db2.gz YUJOLIFYSPENLR-GFCCVEGCSA-N 1 1 369.368 2.057 20 5 FEBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000283474307 551372133 /nfs/dbraw/zinc/37/21/33/551372133.db2.gz IROWXUGLEAELJC-HNNXBMFYSA-N 1 1 357.414 2.348 20 5 FEBDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000283474307 551372135 /nfs/dbraw/zinc/37/21/35/551372135.db2.gz IROWXUGLEAELJC-HNNXBMFYSA-N 1 1 357.414 2.348 20 5 FEBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000283474307 551372137 /nfs/dbraw/zinc/37/21/37/551372137.db2.gz IROWXUGLEAELJC-HNNXBMFYSA-N 1 1 357.414 2.348 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@@H]1C ZINC000498569000 561528863 /nfs/dbraw/zinc/52/88/63/561528863.db2.gz DUERDCSUDLRRDR-KBPBESRZSA-N 1 1 357.414 2.335 20 5 FEBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284903331 551663498 /nfs/dbraw/zinc/66/34/98/551663498.db2.gz UYLBHQJUWYOKSW-ZDUSSCGKSA-N 1 1 350.375 2.384 20 5 FEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000498709545 561532263 /nfs/dbraw/zinc/53/22/63/561532263.db2.gz KFTJMSKHMOZDGV-OAHLLOKOSA-N 1 1 360.458 2.364 20 5 FEBDMO Cc1c(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000285737848 551803517 /nfs/dbraw/zinc/80/35/17/551803517.db2.gz VTFDMISNZAUOSD-CQSZACIVSA-N 1 1 355.460 2.007 20 5 FEBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1Cc1ccccc1 ZINC000285861029 551819864 /nfs/dbraw/zinc/81/98/64/551819864.db2.gz YYZXARKXBWMISM-CQSZACIVSA-N 1 1 372.400 2.315 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@H]1Cc1ccccc1 ZINC000285861029 551819865 /nfs/dbraw/zinc/81/98/65/551819865.db2.gz YYZXARKXBWMISM-CQSZACIVSA-N 1 1 372.400 2.315 20 5 FEBDMO CCc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(C)[nH+]1 ZINC000286642948 551909606 /nfs/dbraw/zinc/90/96/06/551909606.db2.gz BWZKOACLNWIOLJ-UHFFFAOYSA-N 1 1 355.398 2.218 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)n1 ZINC000286702926 551916503 /nfs/dbraw/zinc/91/65/03/551916503.db2.gz KHGOWOXTOIIWKK-OAHLLOKOSA-N 1 1 370.409 2.140 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCO1 ZINC000287782197 552045785 /nfs/dbraw/zinc/04/57/85/552045785.db2.gz OJLGEUYVDJWEIR-LBPRGKRZSA-N 1 1 361.402 2.156 20 5 FEBDMO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000499831675 561559412 /nfs/dbraw/zinc/55/94/12/561559412.db2.gz SSUXFUPGFSAWIC-KRWDZBQOSA-N 1 1 367.833 2.198 20 5 FEBDMO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000499831675 561559413 /nfs/dbraw/zinc/55/94/13/561559413.db2.gz SSUXFUPGFSAWIC-KRWDZBQOSA-N 1 1 367.833 2.198 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000288864686 552227058 /nfs/dbraw/zinc/22/70/58/552227058.db2.gz LHQKZELLPZDGSY-DLBZAZTESA-N 1 1 373.457 2.415 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000500151821 561566900 /nfs/dbraw/zinc/56/69/00/561566900.db2.gz VPKULJYJJAQQJQ-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000289402835 552315327 /nfs/dbraw/zinc/31/53/27/552315327.db2.gz AENISXISCXDCDC-BPQIPLTHSA-N 1 1 362.426 2.368 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(=O)n1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000289433915 552320817 /nfs/dbraw/zinc/32/08/17/552320817.db2.gz SKHDGRXLTRGNJI-KRWDZBQOSA-N 1 1 357.410 2.356 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289468106 552326154 /nfs/dbraw/zinc/32/61/54/552326154.db2.gz WQUZAQKDGLDEHY-GOSISDBHSA-N 1 1 367.446 2.345 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000500440975 561573164 /nfs/dbraw/zinc/57/31/64/561573164.db2.gz MNOWQEKPIFLBPH-UONOGXRCSA-N 1 1 371.441 2.372 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000500440975 561573165 /nfs/dbraw/zinc/57/31/65/561573165.db2.gz MNOWQEKPIFLBPH-UONOGXRCSA-N 1 1 371.441 2.372 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000289610499 552349236 /nfs/dbraw/zinc/34/92/36/552349236.db2.gz AOMMEMHOOJNKQZ-UHFFFAOYSA-N 1 1 363.462 2.305 20 5 FEBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688365 552362227 /nfs/dbraw/zinc/36/22/27/552362227.db2.gz ODKDYJOSCCFPMD-IUODEOHRSA-N 1 1 371.384 2.491 20 5 FEBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688365 552362228 /nfs/dbraw/zinc/36/22/28/552362228.db2.gz ODKDYJOSCCFPMD-IUODEOHRSA-N 1 1 371.384 2.491 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000290242014 552447413 /nfs/dbraw/zinc/44/74/13/552447413.db2.gz WXQDRQXJBBXWKN-UHFFFAOYSA-N 1 1 361.446 2.032 20 5 FEBDMO CN(CCCN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)CC[NH+](C)C ZINC000290242014 552447415 /nfs/dbraw/zinc/44/74/15/552447415.db2.gz WXQDRQXJBBXWKN-UHFFFAOYSA-N 1 1 361.446 2.032 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290872364 552553242 /nfs/dbraw/zinc/55/32/42/552553242.db2.gz ZUVHVDFCUXHCPX-HNNXBMFYSA-N 1 1 369.425 2.047 20 5 FEBDMO C[C@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000290890966 552556436 /nfs/dbraw/zinc/55/64/36/552556436.db2.gz DNNIDBIHUPYMBW-HNNXBMFYSA-N 1 1 365.478 2.181 20 5 FEBDMO C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000290890966 552556438 /nfs/dbraw/zinc/55/64/38/552556438.db2.gz DNNIDBIHUPYMBW-HNNXBMFYSA-N 1 1 365.478 2.181 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000291438055 552624487 /nfs/dbraw/zinc/62/44/87/552624487.db2.gz ZCKPDXZGQMFVIA-MRXNPFEDSA-N 1 1 374.441 2.229 20 5 FEBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000291591143 552640737 /nfs/dbraw/zinc/64/07/37/552640737.db2.gz LGNGOUOZUPXTLD-MLGOLLRUSA-N 1 1 367.833 2.112 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292077174 552691342 /nfs/dbraw/zinc/69/13/42/552691342.db2.gz FHDCDPRKAZJLNG-HZPDHXFCSA-N 1 1 350.415 2.083 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000292919176 552771262 /nfs/dbraw/zinc/77/12/62/552771262.db2.gz XVOFRDJIECURNK-QGZVFWFLSA-N 1 1 367.471 2.318 20 5 FEBDMO COc1cc(C)[nH+]c(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000293237189 552802273 /nfs/dbraw/zinc/80/22/73/552802273.db2.gz SOOBWJIOTPIYGP-UHFFFAOYSA-N 1 1 370.409 2.265 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293324866 552811632 /nfs/dbraw/zinc/81/16/32/552811632.db2.gz MHQCZHGGVYDBKT-KRWDZBQOSA-N 1 1 357.410 2.377 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293324866 552811633 /nfs/dbraw/zinc/81/16/33/552811633.db2.gz MHQCZHGGVYDBKT-KRWDZBQOSA-N 1 1 357.410 2.377 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000501622851 561602349 /nfs/dbraw/zinc/60/23/49/561602349.db2.gz VFGHXQOLMGOJCA-OLZOCXBDSA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000501622851 561602350 /nfs/dbraw/zinc/60/23/50/561602350.db2.gz VFGHXQOLMGOJCA-OLZOCXBDSA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000501622851 561602351 /nfs/dbraw/zinc/60/23/51/561602351.db2.gz VFGHXQOLMGOJCA-OLZOCXBDSA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000501622851 561602352 /nfs/dbraw/zinc/60/23/52/561602352.db2.gz VFGHXQOLMGOJCA-OLZOCXBDSA-N 1 1 357.414 2.361 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293534335 552833291 /nfs/dbraw/zinc/83/32/91/552833291.db2.gz XGDJGVIMCVVFTF-SNVBAGLBSA-N 1 1 361.320 2.064 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)/C(C)=C/c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293815952 552859123 /nfs/dbraw/zinc/85/91/23/552859123.db2.gz FUKLAKOWMHARLL-QHFGJBOXSA-N 1 1 359.426 2.320 20 5 FEBDMO C[C@H]1[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCS1(=O)=O ZINC000293897186 552866003 /nfs/dbraw/zinc/86/60/03/552866003.db2.gz KUCSUEMDUYNFDT-HZMBPMFUSA-N 1 1 367.452 2.384 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)[C@H]2C1 ZINC000293976788 552872430 /nfs/dbraw/zinc/87/24/30/552872430.db2.gz VEVKFBICEBIECY-LSDHHAIUSA-N 1 1 353.806 2.183 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000294184545 552888620 /nfs/dbraw/zinc/88/86/20/552888620.db2.gz JXQNEFIOERJUOX-UHFFFAOYSA-N 1 1 351.451 2.250 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000294184545 552888621 /nfs/dbraw/zinc/88/86/21/552888621.db2.gz JXQNEFIOERJUOX-UHFFFAOYSA-N 1 1 351.451 2.250 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000294392686 552902676 /nfs/dbraw/zinc/90/26/76/552902676.db2.gz JXYPQCCCBFXMSS-IUODEOHRSA-N 1 1 364.421 2.356 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])n1C ZINC000294983948 552949292 /nfs/dbraw/zinc/94/92/92/552949292.db2.gz SPRTZUULBCWVJI-UHFFFAOYSA-N 1 1 371.319 2.343 20 5 FEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000295227547 552971941 /nfs/dbraw/zinc/97/19/41/552971941.db2.gz NKUBGPGYUIMNSN-OAHLLOKOSA-N 1 1 359.785 2.177 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H](C)c3ccc([N+](=O)[O-])cc3F)[C@H]2C1 ZINC000502682836 561623335 /nfs/dbraw/zinc/62/33/35/561623335.db2.gz XFSJUJNJVJFJFU-OAUYIBNBSA-N 1 1 365.405 2.159 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000502901070 561629365 /nfs/dbraw/zinc/62/93/65/561629365.db2.gz CFBYQJBNWHMFJQ-CYBMUJFWSA-N 1 1 370.475 2.309 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000297747020 553333621 /nfs/dbraw/zinc/33/36/21/553333621.db2.gz CUARBQKGUFBJRM-UHFFFAOYSA-N 1 1 370.409 2.090 20 5 FEBDMO CCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)O ZINC000298045111 553376258 /nfs/dbraw/zinc/37/62/58/553376258.db2.gz HEVFUYWFRZCYTO-UHFFFAOYSA-N 1 1 353.419 2.415 20 5 FEBDMO CN(C(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000298047268 553376486 /nfs/dbraw/zinc/37/64/86/553376486.db2.gz IDBIIRIFMUBONE-UHFFFAOYSA-N 1 1 369.425 2.165 20 5 FEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000298126640 553387632 /nfs/dbraw/zinc/38/76/32/553387632.db2.gz NGLSFEIYGQIBHI-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO C[C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000503424073 561640990 /nfs/dbraw/zinc/64/09/90/561640990.db2.gz FJIBUMIEGSSMCU-GJZGRUSLSA-N 1 1 369.487 2.320 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298368597 553417589 /nfs/dbraw/zinc/41/75/89/553417589.db2.gz CRSBPZTZSDSBSO-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO O=C(NCCC[NH+]1CCOCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000298690465 553459248 /nfs/dbraw/zinc/45/92/48/553459248.db2.gz RUTAWJMWXNEJRW-UHFFFAOYSA-N 1 1 374.344 2.040 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000299258902 553538159 /nfs/dbraw/zinc/53/81/59/553538159.db2.gz OEORWYRYGBOIQH-UHFFFAOYSA-N 1 1 371.441 2.054 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000299286214 553542578 /nfs/dbraw/zinc/54/25/78/553542578.db2.gz NLWVTWHPXHNDGP-UHFFFAOYSA-N 1 1 374.441 2.319 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000299378520 553555499 /nfs/dbraw/zinc/55/54/99/553555499.db2.gz WCYSDWRVVFKCNF-HNNXBMFYSA-N 1 1 355.398 2.111 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CC)CC2)cc1OC ZINC000299472140 553568303 /nfs/dbraw/zinc/56/83/03/553568303.db2.gz BBRLPIDEUYIVCG-UHFFFAOYSA-N 1 1 351.403 2.170 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C1 ZINC000301304051 553640586 /nfs/dbraw/zinc/64/05/86/553640586.db2.gz SSUOQFYLPGMWKH-QGZVFWFLSA-N 1 1 355.442 2.359 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000301309799 553641094 /nfs/dbraw/zinc/64/10/94/553641094.db2.gz YDNPKXLGLBTKCV-CQSZACIVSA-N 1 1 355.398 2.165 20 5 FEBDMO COCc1cc([N+](=O)[O-])ccc1NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000301327231 553642391 /nfs/dbraw/zinc/64/23/91/553642391.db2.gz BPNANIQVTXHORS-KRWDZBQOSA-N 1 1 367.471 2.361 20 5 FEBDMO O=[N+]([O-])c1c(NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)nc2sccn21 ZINC000301840040 553684456 /nfs/dbraw/zinc/68/44/56/553684456.db2.gz ADNKTMMFELIWFK-KGLIPLIRSA-N 1 1 373.438 2.351 20 5 FEBDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc(C(=O)NC3CC3)cc1[N+](=O)[O-])C2 ZINC000302684639 553725604 /nfs/dbraw/zinc/72/56/04/553725604.db2.gz SXZZLNZGWOURPF-CQSZACIVSA-N 1 1 355.398 2.419 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000506529181 561701176 /nfs/dbraw/zinc/70/11/76/561701176.db2.gz YWJJTFINMBFOGY-ZDUSSCGKSA-N 1 1 357.414 2.480 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000330620026 554146307 /nfs/dbraw/zinc/14/63/07/554146307.db2.gz ZWRILXQPXCONSK-NWDGAFQWSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000330620026 554146309 /nfs/dbraw/zinc/14/63/09/554146309.db2.gz ZWRILXQPXCONSK-NWDGAFQWSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330879787 554182592 /nfs/dbraw/zinc/18/25/92/554182592.db2.gz AYPLQHKYWMNOBO-UONOGXRCSA-N 1 1 355.460 2.254 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000332013188 554363292 /nfs/dbraw/zinc/36/32/92/554363292.db2.gz PMRKIGYUJSSYSB-ZWNOBZJWSA-N 1 1 355.341 2.362 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000332066180 554372883 /nfs/dbraw/zinc/37/28/83/554372883.db2.gz RXYOUINKONYEKF-GOEBONIOSA-N 1 1 360.458 2.289 20 5 FEBDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332070978 554374144 /nfs/dbraw/zinc/37/41/44/554374144.db2.gz WNVMIEFRABIILV-UMVBOHGHSA-N 1 1 363.414 2.374 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000332248022 554409680 /nfs/dbraw/zinc/40/96/80/554409680.db2.gz BFHGNMISGLZBPZ-NVXWUHKLSA-N 1 1 361.442 2.213 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000332248022 554409684 /nfs/dbraw/zinc/40/96/84/554409684.db2.gz BFHGNMISGLZBPZ-NVXWUHKLSA-N 1 1 361.442 2.213 20 5 FEBDMO CCOc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1OC ZINC000332347357 554430088 /nfs/dbraw/zinc/43/00/88/554430088.db2.gz UBQMBVQELQTORQ-KBPBESRZSA-N 1 1 363.414 2.359 20 5 FEBDMO COC(=O)c1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000332526349 554463017 /nfs/dbraw/zinc/46/30/17/554463017.db2.gz OUZZRNAOJKSGOI-IUODEOHRSA-N 1 1 361.398 2.080 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511074687 561856095 /nfs/dbraw/zinc/85/60/95/561856095.db2.gz WDULUGGZBZLXPX-UHFFFAOYSA-N 1 1 363.439 2.048 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511074687 561856096 /nfs/dbraw/zinc/85/60/96/561856096.db2.gz WDULUGGZBZLXPX-UHFFFAOYSA-N 1 1 363.439 2.048 20 5 FEBDMO CCc1cc(NCC[N@@H+]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511431609 561869069 /nfs/dbraw/zinc/86/90/69/561869069.db2.gz SSTRTOQFULVDGP-AWEZNQCLSA-N 1 1 371.441 2.169 20 5 FEBDMO CCc1cc(NCC[N@H+]2CCOC[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511431609 561869070 /nfs/dbraw/zinc/86/90/70/561869070.db2.gz SSTRTOQFULVDGP-AWEZNQCLSA-N 1 1 371.441 2.169 20 5 FEBDMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000361099221 554904152 /nfs/dbraw/zinc/90/41/52/554904152.db2.gz BQAIAINRVYLVCO-LZQZEXGQSA-N 1 1 363.458 2.453 20 5 FEBDMO COCc1nccc([C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000362781498 554988147 /nfs/dbraw/zinc/98/81/47/554988147.db2.gz NRCKLMNESUFLSO-CRAIPNDOSA-N 1 1 372.425 2.444 20 5 FEBDMO Cc1c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000364075570 555245303 /nfs/dbraw/zinc/24/53/03/555245303.db2.gz MSPURJXQZFKJPE-CYBMUJFWSA-N 1 1 362.386 2.430 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000364197604 555267793 /nfs/dbraw/zinc/26/77/93/555267793.db2.gz WDBYXVNHKWKGJQ-AWEZNQCLSA-N 1 1 364.352 2.220 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000364197604 555267796 /nfs/dbraw/zinc/26/77/96/555267796.db2.gz WDBYXVNHKWKGJQ-AWEZNQCLSA-N 1 1 364.352 2.220 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1cccnc1 ZINC000364540481 555332968 /nfs/dbraw/zinc/33/29/68/555332968.db2.gz VPNSGSBSVTUYTD-SJCJKPOMSA-N 1 1 373.388 2.134 20 5 FEBDMO O=C1[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C(=O)N1c1ccccc1 ZINC000364644811 555361473 /nfs/dbraw/zinc/36/14/73/555361473.db2.gz JKKANPCWSMNMNZ-KRWDZBQOSA-N 1 1 366.377 2.248 20 5 FEBDMO O=C1[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CCN2C(=O)N1c1ccccc1 ZINC000364644811 555361474 /nfs/dbraw/zinc/36/14/74/555361474.db2.gz JKKANPCWSMNMNZ-KRWDZBQOSA-N 1 1 366.377 2.248 20 5 FEBDMO COc1cc(CNC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])cc1O ZINC000364671442 555369874 /nfs/dbraw/zinc/36/98/74/555369874.db2.gz GWPRBQBBWHUGOM-LIRRHRJNSA-N 1 1 372.425 2.487 20 5 FEBDMO COc1cc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c([N+](=O)[O-])cc1O ZINC000364671442 555369876 /nfs/dbraw/zinc/36/98/76/555369876.db2.gz GWPRBQBBWHUGOM-LIRRHRJNSA-N 1 1 372.425 2.487 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000365187223 555505665 /nfs/dbraw/zinc/50/56/65/555505665.db2.gz ZHIMELHJXLLWED-RDTXWAMCSA-N 1 1 372.429 2.181 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000365467095 555583521 /nfs/dbraw/zinc/58/35/21/555583521.db2.gz TZASSYVQUWKSGX-VOTSOKGWSA-N 1 1 355.398 2.127 20 5 FEBDMO COC(=O)[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC12CCC2 ZINC000365712150 555648011 /nfs/dbraw/zinc/64/80/11/555648011.db2.gz LEROCRHIWONPAN-CQSZACIVSA-N 1 1 372.381 2.420 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC12CCC2 ZINC000365712150 555648013 /nfs/dbraw/zinc/64/80/13/555648013.db2.gz LEROCRHIWONPAN-CQSZACIVSA-N 1 1 372.381 2.420 20 5 FEBDMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000365807233 555671591 /nfs/dbraw/zinc/67/15/91/555671591.db2.gz UBGMAWPPYVAFDM-OAHLLOKOSA-N 1 1 360.374 2.376 20 5 FEBDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000365807233 555671593 /nfs/dbraw/zinc/67/15/93/555671593.db2.gz UBGMAWPPYVAFDM-OAHLLOKOSA-N 1 1 360.374 2.376 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513698245 561947026 /nfs/dbraw/zinc/94/70/26/561947026.db2.gz YFVSOQBUJRBVGD-PBHICJAKSA-N 1 1 352.398 2.288 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000366730915 555920136 /nfs/dbraw/zinc/92/01/36/555920136.db2.gz FHLKWYBKGXVLDA-MRXNPFEDSA-N 1 1 365.430 2.358 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000366730915 555920138 /nfs/dbraw/zinc/92/01/38/555920138.db2.gz FHLKWYBKGXVLDA-MRXNPFEDSA-N 1 1 365.430 2.358 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCCC[C@H]2C[NH+]2CCOCC2)s1 ZINC000367727930 556124648 /nfs/dbraw/zinc/12/46/48/556124648.db2.gz JYEFGVWTEGCOGZ-LBPRGKRZSA-N 1 1 363.443 2.291 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000367733861 556125866 /nfs/dbraw/zinc/12/58/66/556125866.db2.gz KIHRTQYGVGDBLW-LLVKDONJSA-N 1 1 362.459 2.180 20 5 FEBDMO C[NH+]1CCC(N2CC[C@@H](Nc3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000367733861 556125868 /nfs/dbraw/zinc/12/58/68/556125868.db2.gz KIHRTQYGVGDBLW-LLVKDONJSA-N 1 1 362.459 2.180 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514870257 561984317 /nfs/dbraw/zinc/98/43/17/561984317.db2.gz XUUPTIKZBGRELN-ZBEGNZNMSA-N 1 1 353.369 2.358 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000514870255 561984339 /nfs/dbraw/zinc/98/43/39/561984339.db2.gz XUUPTIKZBGRELN-MEDUHNTESA-N 1 1 353.369 2.358 20 5 FEBDMO COc1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])cc1OC ZINC000368460910 556316959 /nfs/dbraw/zinc/31/69/59/556316959.db2.gz DKFABYJKGIPACR-UHFFFAOYSA-N 1 1 363.414 2.312 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCOc2ccccc2[N+](=O)[O-])O1 ZINC000368480060 556322063 /nfs/dbraw/zinc/32/20/63/556322063.db2.gz YXPWQFYWQLWURC-JFOHDYCDSA-N 1 1 364.398 2.157 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCOc2ccccc2[N+](=O)[O-])O1 ZINC000368480060 556322069 /nfs/dbraw/zinc/32/20/69/556322069.db2.gz YXPWQFYWQLWURC-JFOHDYCDSA-N 1 1 364.398 2.157 20 5 FEBDMO C[C@H]1C[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@H+]1Cc1ccccc1 ZINC000368821962 556422353 /nfs/dbraw/zinc/42/23/53/556422353.db2.gz DEBXIWFELJFSGR-DZGCQCFKSA-N 1 1 369.425 2.212 20 5 FEBDMO O=C(NC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)C1CCOCC1 ZINC000369096041 556503882 /nfs/dbraw/zinc/50/38/82/556503882.db2.gz OEKDPIPGCWMFIT-UHFFFAOYSA-N 1 1 365.405 2.241 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(n2cccn2)CC1 ZINC000369120377 556510222 /nfs/dbraw/zinc/51/02/22/556510222.db2.gz SEUNQEZLAGGBEU-CYBMUJFWSA-N 1 1 373.413 2.464 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000369374242 556583868 /nfs/dbraw/zinc/58/38/68/556583868.db2.gz IIBCEHMCFMIEHX-KBXCAEBGSA-N 1 1 363.414 2.112 20 5 FEBDMO C[NH+](C)[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000369599576 556643465 /nfs/dbraw/zinc/64/34/65/556643465.db2.gz KIAXRONQEIJBMK-FQEVSTJZSA-N 1 1 369.421 2.493 20 5 FEBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000370062017 556770386 /nfs/dbraw/zinc/77/03/86/556770386.db2.gz WVLWNMZRACBNRU-GFCCVEGCSA-N 1 1 372.429 2.287 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370829837 556981703 /nfs/dbraw/zinc/98/17/03/556981703.db2.gz JIKVAUNLMIVMPL-QGZVFWFLSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370829837 556981706 /nfs/dbraw/zinc/98/17/06/556981706.db2.gz JIKVAUNLMIVMPL-QGZVFWFLSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1[nH+]c(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c2n1CCCC2 ZINC000371140682 557086750 /nfs/dbraw/zinc/08/67/50/557086750.db2.gz YILHNJFZAIZURL-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO CC1CC[NH+](CC2CCN(CCn3cc([N+](=O)[O-])ccc3=O)CC2)CC1 ZINC000371283423 557130897 /nfs/dbraw/zinc/13/08/97/557130897.db2.gz JBMXODGAYBECFH-UHFFFAOYSA-N 1 1 362.474 2.200 20 5 FEBDMO COCCC[N@@H+]1CCCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000371386132 557169223 /nfs/dbraw/zinc/16/92/23/557169223.db2.gz WZVLFDCJWXFVKG-UHFFFAOYSA-N 1 1 373.251 2.301 20 5 FEBDMO COCCC[N@H+]1CCCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000371386132 557169226 /nfs/dbraw/zinc/16/92/26/557169226.db2.gz WZVLFDCJWXFVKG-UHFFFAOYSA-N 1 1 373.251 2.301 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000517569631 562092807 /nfs/dbraw/zinc/09/28/07/562092807.db2.gz MGOUIPXISIVUGV-UKRRQHHQSA-N 1 1 364.446 2.044 20 5 FEBDMO CCc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371811212 557300114 /nfs/dbraw/zinc/30/01/14/557300114.db2.gz UVNYUQFJOZLPGH-KRWDZBQOSA-N 1 1 369.425 2.135 20 5 FEBDMO CCc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000371811212 557300117 /nfs/dbraw/zinc/30/01/17/557300117.db2.gz UVNYUQFJOZLPGH-KRWDZBQOSA-N 1 1 369.425 2.135 20 5 FEBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000518289146 562107890 /nfs/dbraw/zinc/10/78/90/562107890.db2.gz XBNJSRWTJPYJOO-UHFFFAOYSA-N 1 1 373.384 2.496 20 5 FEBDMO C[C@@H](NC(=O)C1([NH+]2CCN(C)CC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000371819467 557303394 /nfs/dbraw/zinc/30/33/94/557303394.db2.gz ULNRDFZWVHOAQS-OAHLLOKOSA-N 1 1 360.458 2.332 20 5 FEBDMO C[C@@H](NC(=O)C1(N2CC[NH+](C)CC2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000371819467 557303395 /nfs/dbraw/zinc/30/33/95/557303395.db2.gz ULNRDFZWVHOAQS-OAHLLOKOSA-N 1 1 360.458 2.332 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000372092319 557378216 /nfs/dbraw/zinc/37/82/16/557378216.db2.gz RDXLSWSGZAQYNL-CRAIPNDOSA-N 1 1 363.458 2.283 20 5 FEBDMO CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[N@H+]1CCc2ccccc2C1 ZINC000518994049 562122902 /nfs/dbraw/zinc/12/29/02/562122902.db2.gz QVXYQNOLNMJMSR-UHFFFAOYSA-N 1 1 370.409 2.262 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000372332692 557442558 /nfs/dbraw/zinc/44/25/58/557442558.db2.gz TYAYBUVJWWJOJW-ZDUSSCGKSA-N 1 1 361.358 2.415 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000372558143 557504755 /nfs/dbraw/zinc/50/47/55/557504755.db2.gz RINQHSXJNNTAEV-KUHUBIRLSA-N 1 1 374.441 2.175 20 5 FEBDMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722785 557547278 /nfs/dbraw/zinc/54/72/78/557547278.db2.gz BQLKSQDQTHJLMA-RDJZCZTQSA-N 1 1 370.409 2.374 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000520388096 562155209 /nfs/dbraw/zinc/15/52/09/562155209.db2.gz BJZFYMOCMHTXAD-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000520388096 562155210 /nfs/dbraw/zinc/15/52/10/562155210.db2.gz BJZFYMOCMHTXAD-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000373804153 557762746 /nfs/dbraw/zinc/76/27/46/557762746.db2.gz GQXCWSOMYCJFES-WMZOPIPTSA-N 1 1 363.414 2.193 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000373894479 557781849 /nfs/dbraw/zinc/78/18/49/557781849.db2.gz SCZFALOJINYKLY-HZMBPMFUSA-N 1 1 362.411 2.180 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375443941 558028476 /nfs/dbraw/zinc/02/84/76/558028476.db2.gz HRCLSZCLPASDCO-UONOGXRCSA-N 1 1 374.397 2.084 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375467156 558032419 /nfs/dbraw/zinc/03/24/19/558032419.db2.gz XGRBEJDNICYJNE-ZFWWWQNUSA-N 1 1 374.397 2.084 20 5 FEBDMO COc1ccccc1N1CC[C@@H](C)[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000375670384 558064889 /nfs/dbraw/zinc/06/48/89/558064889.db2.gz AZFGDWQPBPRLGL-CQSZACIVSA-N 1 1 359.430 2.438 20 5 FEBDMO COc1ccccc1N1CC[C@@H](C)[N@@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000375670384 558064891 /nfs/dbraw/zinc/06/48/91/558064891.db2.gz AZFGDWQPBPRLGL-CQSZACIVSA-N 1 1 359.430 2.438 20 5 FEBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000375914632 558099012 /nfs/dbraw/zinc/09/90/12/558099012.db2.gz RZUIYFHGYNYASZ-LBPRGKRZSA-N 1 1 358.192 2.017 20 5 FEBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000375914632 558099013 /nfs/dbraw/zinc/09/90/13/558099013.db2.gz RZUIYFHGYNYASZ-LBPRGKRZSA-N 1 1 358.192 2.017 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CCCCO3)C2)c1 ZINC000376043350 558118261 /nfs/dbraw/zinc/11/82/61/558118261.db2.gz PRTMWJMVXOUSKA-SJLPKXTDSA-N 1 1 350.415 2.370 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CCCCO3)C2)c1 ZINC000376043348 558118288 /nfs/dbraw/zinc/11/82/88/558118288.db2.gz PRTMWJMVXOUSKA-FUHWJXTLSA-N 1 1 350.415 2.370 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1C ZINC000376534437 558186403 /nfs/dbraw/zinc/18/64/03/558186403.db2.gz GSADHSXMJNGJFW-CQSZACIVSA-N 1 1 353.444 2.070 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000377168189 558280754 /nfs/dbraw/zinc/28/07/54/558280754.db2.gz JTJCGVYESSRDBF-JQFCIGGWSA-N 1 1 374.441 2.350 20 5 FEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000378491413 558568775 /nfs/dbraw/zinc/56/87/75/558568775.db2.gz FQXNIVYPNDARNQ-CYBMUJFWSA-N 1 1 372.381 2.387 20 5 FEBDMO Cc1[nH+]c(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2n1CCCC2 ZINC000378505272 558571506 /nfs/dbraw/zinc/57/15/06/558571506.db2.gz LDPNZMHJPBQXOX-UHFFFAOYSA-N 1 1 358.354 2.095 20 5 FEBDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)on1 ZINC000378553560 558581509 /nfs/dbraw/zinc/58/15/09/558581509.db2.gz PHNZAQBPEZQJSE-UHFFFAOYSA-N 1 1 373.413 2.210 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000378584368 558588693 /nfs/dbraw/zinc/58/86/93/558588693.db2.gz TWMCVZXSONLCIH-RKVPGOIHSA-N 1 1 367.409 2.178 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000408375864 558672011 /nfs/dbraw/zinc/67/20/11/558672011.db2.gz UNEKYKMVGXLKKE-KGLIPLIRSA-N 1 1 353.444 2.008 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000524450625 562228870 /nfs/dbraw/zinc/22/88/70/562228870.db2.gz UVFIJQLLZCSPOE-CQSZACIVSA-N 1 1 357.414 2.241 20 5 FEBDMO Cc1cccn2cc(Cn3c(=O)onc3-c3ccc([N+](=O)[O-])cc3)[nH+]c12 ZINC000524468888 562229100 /nfs/dbraw/zinc/22/91/00/562229100.db2.gz RYJSXVWXSQTTHA-UHFFFAOYSA-N 1 1 351.322 2.416 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524780776 562234664 /nfs/dbraw/zinc/23/46/64/562234664.db2.gz NAAUPNAYQNUFEF-UKRRQHHQSA-N 1 1 350.419 2.098 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N2CC[N@H+](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000524805335 562235455 /nfs/dbraw/zinc/23/54/55/562235455.db2.gz WKINZFQCRQPMAV-HNNXBMFYSA-N 1 1 363.462 2.441 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000411258985 558862254 /nfs/dbraw/zinc/86/22/54/558862254.db2.gz AEVKJNMCAUSEJH-MRXNPFEDSA-N 1 1 374.441 2.222 20 5 FEBDMO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(=O)(=O)CC ZINC000411263831 558863332 /nfs/dbraw/zinc/86/33/32/558863332.db2.gz FRKJRQJQUDZQIM-ZDUSSCGKSA-N 1 1 371.459 2.069 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](C)CS(=O)(=O)CC ZINC000411263831 558863333 /nfs/dbraw/zinc/86/33/33/558863333.db2.gz FRKJRQJQUDZQIM-ZDUSSCGKSA-N 1 1 371.459 2.069 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+]2CCCC[C@H]2C)c1F ZINC000411411016 558890016 /nfs/dbraw/zinc/89/00/16/558890016.db2.gz FIRWUVDZULHHKY-GFCCVEGCSA-N 1 1 353.394 2.276 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000411413014 558890251 /nfs/dbraw/zinc/89/02/51/558890251.db2.gz YDRAWSSIDCFVPI-KGLIPLIRSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000411413014 558890254 /nfs/dbraw/zinc/89/02/54/558890254.db2.gz YDRAWSSIDCFVPI-KGLIPLIRSA-N 1 1 362.430 2.091 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NCC[N@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000411469219 558900212 /nfs/dbraw/zinc/90/02/12/558900212.db2.gz GBEMLQPPVAPNHL-UHFFFAOYSA-N 1 1 362.430 2.080 20 5 FEBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411700818 558946674 /nfs/dbraw/zinc/94/66/74/558946674.db2.gz OBKYVHAVIBRZRH-MRXNPFEDSA-N 1 1 362.430 2.304 20 5 FEBDMO CC(C)([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nnc2n1CCCC2 ZINC000411779145 558961301 /nfs/dbraw/zinc/96/13/01/558961301.db2.gz CXNVHJVLPRDUSP-UHFFFAOYSA-N 1 1 372.429 2.376 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000411968987 558997205 /nfs/dbraw/zinc/99/72/05/558997205.db2.gz PHFNFLBIFASFOS-IBGZPJMESA-N 1 1 373.384 2.372 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412059592 559008044 /nfs/dbraw/zinc/00/80/44/559008044.db2.gz XSCNVNNKBGTVHD-HNNXBMFYSA-N 1 1 374.441 2.319 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412059592 559008046 /nfs/dbraw/zinc/00/80/46/559008046.db2.gz XSCNVNNKBGTVHD-HNNXBMFYSA-N 1 1 374.441 2.319 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412060225 559008247 /nfs/dbraw/zinc/00/82/47/559008247.db2.gz ZILZUVJKSZTNAG-GOEBONIOSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412060225 559008249 /nfs/dbraw/zinc/00/82/49/559008249.db2.gz ZILZUVJKSZTNAG-GOEBONIOSA-N 1 1 374.441 2.399 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412063094 559008657 /nfs/dbraw/zinc/00/86/57/559008657.db2.gz BAFITDVWJBNKRK-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000412063094 559008658 /nfs/dbraw/zinc/00/86/58/559008658.db2.gz BAFITDVWJBNKRK-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO O=[N+]([O-])c1c(NCC2([NH+]3CCOCC3)CCOCC2)ccc2ncccc21 ZINC000413407101 559105453 /nfs/dbraw/zinc/10/54/53/559105453.db2.gz RKITVHDABRIZAT-UHFFFAOYSA-N 1 1 372.425 2.436 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000414454699 559164924 /nfs/dbraw/zinc/16/49/24/559164924.db2.gz AEIYAGJSRNFUAL-NSHDSACASA-N 1 1 366.443 2.331 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@@H](CN)C2CCCCC2)cc1[N+](=O)[O-] ZINC000414852180 559190721 /nfs/dbraw/zinc/19/07/21/559190721.db2.gz QJYZJGBXYQFXAK-HNNXBMFYSA-N 1 1 365.430 2.144 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000416569830 559322442 /nfs/dbraw/zinc/32/24/42/559322442.db2.gz YUTLIZJOARLDJT-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416927494 559338775 /nfs/dbraw/zinc/33/87/75/559338775.db2.gz WEBUFNROVXWKMA-OLZOCXBDSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416927494 559338776 /nfs/dbraw/zinc/33/87/76/559338776.db2.gz WEBUFNROVXWKMA-OLZOCXBDSA-N 1 1 350.419 2.130 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419338567 559438152 /nfs/dbraw/zinc/43/81/52/559438152.db2.gz LJICXLLJDUJAHX-GJZGRUSLSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CN1CCO ZINC000419338567 559438153 /nfs/dbraw/zinc/43/81/53/559438153.db2.gz LJICXLLJDUJAHX-GJZGRUSLSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)CN1CCO ZINC000419338567 559438154 /nfs/dbraw/zinc/43/81/54/559438154.db2.gz LJICXLLJDUJAHX-GJZGRUSLSA-N 1 1 374.441 2.179 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420450836 559488065 /nfs/dbraw/zinc/48/80/65/559488065.db2.gz PXMXAYUKBMOUCF-SECBINFHSA-N 1 1 368.242 2.322 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421775550 559553114 /nfs/dbraw/zinc/55/31/14/559553114.db2.gz XQQMYLHSKFGIKT-AWEZNQCLSA-N 1 1 362.474 2.215 20 5 FEBDMO CCOC(=O)C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000527298757 562284299 /nfs/dbraw/zinc/28/42/99/562284299.db2.gz FEDJXXPNMYVSGA-UHFFFAOYSA-N 1 1 365.386 2.166 20 5 FEBDMO CCOC(=O)C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000527298757 562284300 /nfs/dbraw/zinc/28/43/00/562284300.db2.gz FEDJXXPNMYVSGA-UHFFFAOYSA-N 1 1 365.386 2.166 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000424990518 559682402 /nfs/dbraw/zinc/68/24/02/559682402.db2.gz LJWAGQOJFKLHNX-UHFFFAOYSA-N 1 1 363.458 2.442 20 5 FEBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425394307 559699825 /nfs/dbraw/zinc/69/98/25/559699825.db2.gz KLZLRIGECKRDOU-KOLCDFICSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425394307 559699826 /nfs/dbraw/zinc/69/98/26/559699826.db2.gz KLZLRIGECKRDOU-KOLCDFICSA-N 1 1 356.220 2.443 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[N@H+](C)CCN(C)C ZINC000436513674 559943823 /nfs/dbraw/zinc/94/38/23/559943823.db2.gz UUZAAESNUVARCY-UHFFFAOYSA-N 1 1 351.451 2.217 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCN(C)CC[NH+](C)C ZINC000436513674 559943824 /nfs/dbraw/zinc/94/38/24/559943824.db2.gz UUZAAESNUVARCY-UHFFFAOYSA-N 1 1 351.451 2.217 20 5 FEBDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000439481659 559995468 /nfs/dbraw/zinc/99/54/68/559995468.db2.gz KWAHYYYOBFHIAE-SUMWQHHRSA-N 1 1 350.419 2.235 20 5 FEBDMO C[NH+](C)[C@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444628747 560117203 /nfs/dbraw/zinc/11/72/03/560117203.db2.gz DRIYLWXXUBWJPE-KRWDZBQOSA-N 1 1 353.382 2.390 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000447937712 560173974 /nfs/dbraw/zinc/17/39/74/560173974.db2.gz BTPAOMMXGATEPM-HNNXBMFYSA-N 1 1 355.460 2.135 20 5 FEBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000450149181 560252246 /nfs/dbraw/zinc/25/22/46/560252246.db2.gz VETJWJJDDHSVTR-SJKOYZFVSA-N 1 1 357.414 2.443 20 5 FEBDMO CC[C@@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000450310181 560258001 /nfs/dbraw/zinc/25/80/01/560258001.db2.gz CPUTZIRHNOLZLG-UONOGXRCSA-N 1 1 374.441 2.433 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450789102 560273339 /nfs/dbraw/zinc/27/33/39/560273339.db2.gz IIMHRCRTWFWBAF-PHIMTYICSA-N 1 1 357.208 2.027 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000451700962 560323062 /nfs/dbraw/zinc/32/30/62/560323062.db2.gz YZTLGRPMIIZWHH-ILXRZTDVSA-N 1 1 350.415 2.465 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[S@](=O)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000451763195 560327088 /nfs/dbraw/zinc/32/70/88/560327088.db2.gz YFVCRKBTDLEMST-VWLOTQADSA-N 1 1 367.471 2.465 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[S@](=O)C(C)(C)CC2)cccc1[N+](=O)[O-] ZINC000451763195 560327089 /nfs/dbraw/zinc/32/70/89/560327089.db2.gz YFVCRKBTDLEMST-VWLOTQADSA-N 1 1 367.471 2.465 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H](CO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000451776317 560327988 /nfs/dbraw/zinc/32/79/88/560327988.db2.gz GPVLJLYTNYEAGN-LBPRGKRZSA-N 1 1 353.419 2.271 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOCC23CCCCC3)c1 ZINC000451808193 560329986 /nfs/dbraw/zinc/32/99/86/560329986.db2.gz DZWGCHPEGDRPTE-MRXNPFEDSA-N 1 1 350.415 2.370 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000451857657 560332804 /nfs/dbraw/zinc/33/28/04/560332804.db2.gz UXEYXAXFGLNONA-HZPDHXFCSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000451857657 560332805 /nfs/dbraw/zinc/33/28/05/560332805.db2.gz UXEYXAXFGLNONA-HZPDHXFCSA-N 1 1 363.414 2.431 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451897865 560335528 /nfs/dbraw/zinc/33/55/28/560335528.db2.gz ILFHNJWGCIWENH-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451897865 560335529 /nfs/dbraw/zinc/33/55/29/560335529.db2.gz ILFHNJWGCIWENH-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909564 560336481 /nfs/dbraw/zinc/33/64/81/560336481.db2.gz XGUVRGXMFPNDLD-UGSOOPFHSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909564 560336482 /nfs/dbraw/zinc/33/64/82/560336482.db2.gz XGUVRGXMFPNDLD-UGSOOPFHSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)nc1 ZINC000452061992 560348778 /nfs/dbraw/zinc/34/87/78/560348778.db2.gz WOEMUUZGOHVEOC-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000452083888 560350212 /nfs/dbraw/zinc/35/02/12/560350212.db2.gz HNHZMZLXVAAHQZ-UHFFFAOYSA-N 1 1 361.851 2.401 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452386278 560362265 /nfs/dbraw/zinc/36/22/65/560362265.db2.gz WQCKOJGTWWMTSS-IRXDYDNUSA-N 1 1 363.458 2.127 20 5 FEBDMO CC(C)[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452849545 560376184 /nfs/dbraw/zinc/37/61/84/560376184.db2.gz LPBWDVOAMPTBLT-WMZOPIPTSA-N 1 1 361.442 2.410 20 5 FEBDMO CC(C)[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452849545 560376185 /nfs/dbraw/zinc/37/61/85/560376185.db2.gz LPBWDVOAMPTBLT-WMZOPIPTSA-N 1 1 361.442 2.410 20 5 FEBDMO CNc1nc(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000455917276 560500180 /nfs/dbraw/zinc/50/01/80/560500180.db2.gz KYJXPWSKNZFUSX-UHFFFAOYSA-N 1 1 361.377 2.032 20 5 FEBDMO CN(CC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000457009346 560543634 /nfs/dbraw/zinc/54/36/34/560543634.db2.gz CXBVBNXZQAXXDK-MRXNPFEDSA-N 1 1 354.410 2.204 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458707286 560642306 /nfs/dbraw/zinc/64/23/06/560642306.db2.gz PKVGBWPSUAJPDX-CYBMUJFWSA-N 1 1 360.418 2.095 20 5 FEBDMO COC(=O)c1ccccc1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000459501306 560690274 /nfs/dbraw/zinc/69/02/74/560690274.db2.gz CTOCAWMLFHFVFL-UHFFFAOYSA-N 1 1 370.409 2.141 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000459508720 560690685 /nfs/dbraw/zinc/69/06/85/560690685.db2.gz MJEIMSJUUJSODM-QGZVFWFLSA-N 1 1 356.426 2.106 20 5 FEBDMO CC(C)C[N@H+](Cc1cnn(C)c1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459591721 560696305 /nfs/dbraw/zinc/69/63/05/560696305.db2.gz LEPPAXXNHKLPSM-KRWDZBQOSA-N 1 1 362.430 2.226 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459767611 560707303 /nfs/dbraw/zinc/70/73/03/560707303.db2.gz ANUHJRPOIZKHEB-YTQUADARSA-N 1 1 364.442 2.208 20 5 FEBDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464787934 560850911 /nfs/dbraw/zinc/85/09/11/560850911.db2.gz GCSCAYHCKGCZNR-MSOLQXFVSA-N 1 1 364.421 2.490 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[N@H+]1CCc2ccccc2C1 ZINC000465533741 560867567 /nfs/dbraw/zinc/86/75/67/560867567.db2.gz YVCBUJVUYABGCA-UHFFFAOYSA-N 1 1 368.437 2.495 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000467053238 560902553 /nfs/dbraw/zinc/90/25/53/560902553.db2.gz GOBOPMAMEGICQG-NWDGAFQWSA-N 1 1 359.473 2.070 20 5 FEBDMO C[C@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105886 560974593 /nfs/dbraw/zinc/97/45/93/560974593.db2.gz RIYNAVJCNBKPJI-KGLIPLIRSA-N 1 1 367.421 2.455 20 5 FEBDMO C[C@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105885 560974618 /nfs/dbraw/zinc/97/46/18/560974618.db2.gz RIYNAVJCNBKPJI-KBPBESRZSA-N 1 1 367.421 2.455 20 5 FEBDMO CC(C)[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000470140031 560975263 /nfs/dbraw/zinc/97/52/63/560975263.db2.gz HGJOSTXMAYKFAF-MRXNPFEDSA-N 1 1 367.425 2.127 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470173253 560976026 /nfs/dbraw/zinc/97/60/26/560976026.db2.gz KKXXVYRGWAELOO-RCBBPTIPSA-N 1 1 353.444 2.012 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N=c1cc[nH]c2cc[nH+]cc21 ZINC000471519168 561006353 /nfs/dbraw/zinc/00/63/53/561006353.db2.gz DXFJYRRMFAONKH-UHFFFAOYSA-N 1 1 358.379 2.323 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)CC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000475131169 561091177 /nfs/dbraw/zinc/09/11/77/561091177.db2.gz TWPSDCJWEXRUAL-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475698138 561102491 /nfs/dbraw/zinc/10/24/91/561102491.db2.gz NMGDAMUWFXCSLY-AWEZNQCLSA-N 1 1 352.387 2.005 20 5 FEBDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475708041 561102830 /nfs/dbraw/zinc/10/28/30/561102830.db2.gz FKOVJZFXDLVKHV-CQSZACIVSA-N 1 1 352.387 2.005 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000476421568 561119058 /nfs/dbraw/zinc/11/90/58/561119058.db2.gz YSHCRFQASPGCCG-CYBMUJFWSA-N 1 1 360.414 2.043 20 5 FEBDMO C[C@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000476616715 561124408 /nfs/dbraw/zinc/12/44/08/561124408.db2.gz BLRHRHIYQVVDIQ-GFCCVEGCSA-N 1 1 359.423 2.277 20 5 FEBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000476812851 561129012 /nfs/dbraw/zinc/12/90/12/561129012.db2.gz DIAUCVXIXSAVIH-HNNXBMFYSA-N 1 1 359.430 2.215 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000477006945 561134137 /nfs/dbraw/zinc/13/41/37/561134137.db2.gz BACXNSBDZKPGOM-ABAIWWIYSA-N 1 1 363.443 2.203 20 5 FEBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000532563333 562481449 /nfs/dbraw/zinc/48/14/49/562481449.db2.gz OPBZJWXGABVLFQ-SWLSCSKDSA-N 1 1 373.409 2.412 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000532944715 562493388 /nfs/dbraw/zinc/49/33/88/562493388.db2.gz UZAQCAQWNIUWQH-AWEZNQCLSA-N 1 1 362.430 2.209 20 5 FEBDMO O=C(CC[NH+]1CCN(Cc2ccco2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533227516 562502275 /nfs/dbraw/zinc/50/22/75/562502275.db2.gz QQHIHPVILOCWEF-UHFFFAOYSA-N 1 1 358.398 2.334 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000533304684 562504432 /nfs/dbraw/zinc/50/44/32/562504432.db2.gz JDUIKYMBRHTIKW-OAHLLOKOSA-N 1 1 374.441 2.258 20 5 FEBDMO COc1cc(C)[nH+]c(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c1 ZINC000533787483 562518112 /nfs/dbraw/zinc/51/81/12/562518112.db2.gz JAFFBXSUVBQPOJ-UHFFFAOYSA-N 1 1 354.160 2.279 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000535740742 562566212 /nfs/dbraw/zinc/56/62/12/562566212.db2.gz YBCKUMPMRBMVON-KBPBESRZSA-N 1 1 350.419 2.098 20 5 FEBDMO C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccccc1[N+](=O)[O-] ZINC000537159695 562586867 /nfs/dbraw/zinc/58/68/67/562586867.db2.gz GSXRBFLRBAFWQL-AWEZNQCLSA-N 1 1 371.441 2.418 20 5 FEBDMO CC1(C)CC(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000556602315 674408153 /nfs/dbraw/zinc/40/81/53/674408153.db2.gz NBWPEKUQIGQVTI-HNNXBMFYSA-N 1 1 351.447 2.233 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000557569339 674454395 /nfs/dbraw/zinc/45/43/95/674454395.db2.gz GZGIREYANASATE-CYBMUJFWSA-N 1 1 350.419 2.761 20 5 FEBDMO O=[N+]([O-])c1ccc(CCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)cc1 ZINC000823635472 599491981 /nfs/dbraw/zinc/49/19/81/599491981.db2.gz XLKJFEOWJVWCTL-UHFFFAOYSA-N 1 1 361.365 2.400 20 5 FEBDMO CC(C)(O)C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809914230 674519508 /nfs/dbraw/zinc/51/95/08/674519508.db2.gz CPBMVOIJNNTVGM-UHFFFAOYSA-N 1 1 356.810 2.169 20 5 FEBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222105 606185863 /nfs/dbraw/zinc/18/58/63/606185863.db2.gz OROULMLLLUFJEP-LBPRGKRZSA-N 1 1 356.390 2.055 20 5 FEBDMO C[N@@H+](CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000821602881 606403590 /nfs/dbraw/zinc/40/35/90/606403590.db2.gz ZJTHPHXGBNJZHW-UHFFFAOYSA-N 1 1 371.376 2.458 20 5 FEBDMO CCOC1CC([N@@H+](C)Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000561986636 674713198 /nfs/dbraw/zinc/71/31/98/674713198.db2.gz VWUFJMKCAMVDSG-UHFFFAOYSA-N 1 1 352.387 2.146 20 5 FEBDMO CSc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000562990988 674832025 /nfs/dbraw/zinc/83/20/25/674832025.db2.gz KHFCUFQALJLKOL-UHFFFAOYSA-N 1 1 367.452 2.275 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000815009395 674895249 /nfs/dbraw/zinc/89/52/49/674895249.db2.gz ISVJOSFOIBWTQH-QMMMGPOBSA-N 1 1 365.814 2.148 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047313 674907393 /nfs/dbraw/zinc/90/73/93/674907393.db2.gz NISBNSMWMMSAKZ-SECBINFHSA-N 1 1 367.830 2.394 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815511266 674955778 /nfs/dbraw/zinc/95/57/78/674955778.db2.gz CCMCFWGOQIATQI-UHFFFAOYSA-N 1 1 362.304 2.493 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)C[C@H](C)O1 ZINC000816839227 675082196 /nfs/dbraw/zinc/08/21/96/675082196.db2.gz YDYKWLWOJVPYHC-TXEJJXNPSA-N 1 1 355.822 2.477 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000817149399 675105539 /nfs/dbraw/zinc/10/55/39/675105539.db2.gz FARHIGUGZGGLCQ-NSHDSACASA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000083991608 670663755 /nfs/dbraw/zinc/66/37/55/670663755.db2.gz MKORNCYPJMNSBF-NSHDSACASA-N 1 1 361.851 2.177 20 5 FEBDMO CN1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CCC1=O ZINC000570695520 670755101 /nfs/dbraw/zinc/75/51/01/670755101.db2.gz WCNXFNJYFZGPAP-LBPRGKRZSA-N 1 1 356.220 2.410 20 5 FEBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])CCC1=O ZINC000570695520 670755102 /nfs/dbraw/zinc/75/51/02/670755102.db2.gz WCNXFNJYFZGPAP-LBPRGKRZSA-N 1 1 356.220 2.410 20 5 FEBDMO CC(C)C[C@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1 ZINC000571880410 670936289 /nfs/dbraw/zinc/93/62/89/670936289.db2.gz CXHRMSSWSXEGKQ-LBPRGKRZSA-N 1 1 354.388 2.094 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000575846287 671325043 /nfs/dbraw/zinc/32/50/43/671325043.db2.gz VBEJYWPBQRIWFY-UHFFFAOYSA-N 1 1 350.419 2.231 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000609279590 675916972 /nfs/dbraw/zinc/91/69/72/675916972.db2.gz OJVDCGZVIMBKDQ-NSHDSACASA-N 1 1 356.810 2.481 20 5 FEBDMO C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000125423090 672011053 /nfs/dbraw/zinc/01/10/53/672011053.db2.gz NPJVXVDYPUVJAN-ZDUSSCGKSA-N 1 1 350.419 2.240 20 5 FEBDMO C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000125423090 672011056 /nfs/dbraw/zinc/01/10/56/672011056.db2.gz NPJVXVDYPUVJAN-ZDUSSCGKSA-N 1 1 350.419 2.240 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000584165913 672162344 /nfs/dbraw/zinc/16/23/44/672162344.db2.gz RJTBZJIJEOZLRU-ZDUSSCGKSA-N 1 1 367.471 2.398 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000584581726 672202181 /nfs/dbraw/zinc/20/21/81/672202181.db2.gz WLEJKAKYWLVARR-UAGQMJEPSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000584581726 672202184 /nfs/dbraw/zinc/20/21/84/672202184.db2.gz WLEJKAKYWLVARR-UAGQMJEPSA-N 1 1 350.415 2.226 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000590445081 672583490 /nfs/dbraw/zinc/58/34/90/672583490.db2.gz QEBYRVMGRWEFPW-WFASDCNBSA-N 1 1 365.455 2.109 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000611792686 676055410 /nfs/dbraw/zinc/05/54/10/676055410.db2.gz KBGINRJCYFWQOB-INIZCTEOSA-N 1 1 366.849 2.162 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000194332182 672756490 /nfs/dbraw/zinc/75/64/90/672756490.db2.gz IMIBTKAVHUWETD-CQSZACIVSA-N 1 1 367.402 2.315 20 5 FEBDMO C[C@H]1CC2(C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592185386 672768366 /nfs/dbraw/zinc/76/83/66/672768366.db2.gz YKECFDVBNGZCEA-AWEZNQCLSA-N 1 1 368.455 2.260 20 5 FEBDMO C[C@H]1CC2(C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592185386 672768368 /nfs/dbraw/zinc/76/83/68/672768368.db2.gz YKECFDVBNGZCEA-AWEZNQCLSA-N 1 1 368.455 2.260 20 5 FEBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592196687 672770082 /nfs/dbraw/zinc/77/00/82/672770082.db2.gz XBFJGHXBYMHLNV-LSDHHAIUSA-N 1 1 350.415 2.368 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592386904 672796241 /nfs/dbraw/zinc/79/62/41/672796241.db2.gz ZTMCFUHJPIEUMC-SECBINFHSA-N 1 1 368.242 2.322 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C(C)(C)C1 ZINC000593340561 672910357 /nfs/dbraw/zinc/91/03/57/672910357.db2.gz XGRNADGZDYVUNX-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2cccc(SC)c2[N+](=O)[O-])C(C)(C)C1 ZINC000593340561 672910362 /nfs/dbraw/zinc/91/03/62/672910362.db2.gz XGRNADGZDYVUNX-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027230 673022474 /nfs/dbraw/zinc/02/24/74/673022474.db2.gz SSUYFQGKWYNEJL-GOEBONIOSA-N 1 1 350.415 2.368 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1F ZINC000594198719 673042957 /nfs/dbraw/zinc/04/29/57/673042957.db2.gz VIZVKSPSZAUUCI-UONOGXRCSA-N 1 1 351.378 2.489 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594793036 673144475 /nfs/dbraw/zinc/14/44/75/673144475.db2.gz SRTIYXVKCKDJLF-LBPRGKRZSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594793035 673144636 /nfs/dbraw/zinc/14/46/36/673144636.db2.gz SRTIYXVKCKDJLF-GFCCVEGCSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000594793039 673144751 /nfs/dbraw/zinc/14/47/51/673144751.db2.gz SSFMCAHXRXWEFD-GFCCVEGCSA-N 1 1 371.459 2.002 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000594799284 673146724 /nfs/dbraw/zinc/14/67/24/673146724.db2.gz LOHMKWFXEKUAEZ-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000594800854 673147615 /nfs/dbraw/zinc/14/76/15/673147615.db2.gz IJTKMFKFEHULRV-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594853974 673164574 /nfs/dbraw/zinc/16/45/74/673164574.db2.gz BZCAXDBSOMFSIH-HNNXBMFYSA-N 1 1 367.471 2.421 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594854217 673164865 /nfs/dbraw/zinc/16/48/65/673164865.db2.gz FQFGYEIEELDKLK-CYBMUJFWSA-N 1 1 353.444 2.280 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000595019256 673186780 /nfs/dbraw/zinc/18/67/80/673186780.db2.gz KYFOJWAOZJDYDN-CABZTGNLSA-N 1 1 361.320 2.417 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000595381471 673238513 /nfs/dbraw/zinc/23/85/13/673238513.db2.gz LYFOCSSTOAZKKS-UHFFFAOYSA-N 1 1 357.476 2.177 20 5 FEBDMO CN(CC[NH+]1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000732037105 673351598 /nfs/dbraw/zinc/35/15/98/673351598.db2.gz GBMPLJWPRBDILQ-UHFFFAOYSA-N 1 1 363.386 2.123 20 5 FEBDMO CNC(=O)C[NH+]1CCC(Nc2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596074119 673356439 /nfs/dbraw/zinc/35/64/39/673356439.db2.gz RLLPWXDSKZZCPL-UHFFFAOYSA-N 1 1 360.336 2.236 20 5 FEBDMO C[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251305 673371770 /nfs/dbraw/zinc/37/17/70/673371770.db2.gz PPDHASNVAVSHTI-UHFFFAOYSA-N 1 1 367.471 2.453 20 5 FEBDMO C[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251305 673371775 /nfs/dbraw/zinc/37/17/75/673371775.db2.gz PPDHASNVAVSHTI-UHFFFAOYSA-N 1 1 367.471 2.453 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC([N@H+]3CCCOCC3)CC2)s1 ZINC000596269420 673372911 /nfs/dbraw/zinc/37/29/11/673372911.db2.gz UFHDNUILHXIPEG-UHFFFAOYSA-N 1 1 363.443 2.291 20 5 FEBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000536683877 673375743 /nfs/dbraw/zinc/37/57/43/673375743.db2.gz VVAQZZVZWDFROD-LBPRGKRZSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000536683877 673375745 /nfs/dbraw/zinc/37/57/45/673375745.db2.gz VVAQZZVZWDFROD-LBPRGKRZSA-N 1 1 365.411 2.108 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000537824279 673409768 /nfs/dbraw/zinc/40/97/68/673409768.db2.gz NOGYVINPTYHXKT-NWDGAFQWSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000537824279 673409772 /nfs/dbraw/zinc/40/97/72/673409772.db2.gz NOGYVINPTYHXKT-NWDGAFQWSA-N 1 1 351.403 2.167 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000597100208 673447847 /nfs/dbraw/zinc/44/78/47/673447847.db2.gz GPMFHBSUUZPTJV-TVQRCGJNSA-N 1 1 353.810 2.388 20 5 FEBDMO CCOc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000597577253 673489281 /nfs/dbraw/zinc/48/92/81/673489281.db2.gz ZVQRPMBPXSDNCR-ZIAGYGMSSA-N 1 1 351.378 2.252 20 5 FEBDMO C[C@]1(c2ccc(C[NH2+]Cc3csc([N+](=O)[O-])c3)cc2)NC(=O)NC1=O ZINC000539497818 673493069 /nfs/dbraw/zinc/49/30/69/673493069.db2.gz YSOXOWHVUQDZAC-MRXNPFEDSA-N 1 1 360.395 2.001 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+]1CCOCC1 ZINC000735893082 673506348 /nfs/dbraw/zinc/50/63/48/673506348.db2.gz BKEBRVQCXPYACW-ZDUSSCGKSA-N 1 1 354.428 2.341 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598598294 673587869 /nfs/dbraw/zinc/58/78/69/673587869.db2.gz CJKYYAOFKIOMBB-UHFFFAOYSA-N 1 1 352.416 2.085 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598602260 673588731 /nfs/dbraw/zinc/58/87/31/673588731.db2.gz ILTANDHGYICRAH-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000740894710 673660097 /nfs/dbraw/zinc/66/00/97/673660097.db2.gz VSHLHQCEXPCIAZ-VXGBXAGGSA-N 1 1 359.423 2.227 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000599464783 673678951 /nfs/dbraw/zinc/67/89/51/673678951.db2.gz SUORCOXWGBMFAC-ZDUSSCGKSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000599464783 673678954 /nfs/dbraw/zinc/67/89/54/673678954.db2.gz SUORCOXWGBMFAC-ZDUSSCGKSA-N 1 1 357.407 2.029 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599544272 673690168 /nfs/dbraw/zinc/69/01/68/673690168.db2.gz YRIZQZUEOMNSSI-MRXNPFEDSA-N 1 1 350.415 2.357 20 5 FEBDMO O=C(NCC[N@H+]1CC=CCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599865073 673723425 /nfs/dbraw/zinc/72/34/25/673723425.db2.gz XIMYTTHOVTUMKX-UHFFFAOYSA-N 1 1 354.204 2.349 20 5 FEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599865073 673723427 /nfs/dbraw/zinc/72/34/27/673723427.db2.gz XIMYTTHOVTUMKX-UHFFFAOYSA-N 1 1 354.204 2.349 20 5 FEBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000600110749 673741691 /nfs/dbraw/zinc/74/16/91/673741691.db2.gz CHCGKRSDJFVDFA-UHFFFAOYSA-N 1 1 353.806 2.185 20 5 FEBDMO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000546093760 673791830 /nfs/dbraw/zinc/79/18/30/673791830.db2.gz ZWYMKUJUPDOZTR-ZIAGYGMSSA-N 1 1 355.460 2.277 20 5 FEBDMO COc1cc(C[N@H+](C)C2CC(O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000546255928 673798511 /nfs/dbraw/zinc/79/85/11/673798511.db2.gz WGTXYDHDXQYTEF-UHFFFAOYSA-N 1 1 364.320 2.500 20 5 FEBDMO COc1cc(C[N@@H+](C)C2CC(O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000546255928 673798514 /nfs/dbraw/zinc/79/85/14/673798514.db2.gz WGTXYDHDXQYTEF-UHFFFAOYSA-N 1 1 364.320 2.500 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000546776433 673817629 /nfs/dbraw/zinc/81/76/29/673817629.db2.gz FNKUMNSTYORHAG-DZGCQCFKSA-N 1 1 355.460 2.229 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372047 673850484 /nfs/dbraw/zinc/85/04/84/673850484.db2.gz QMEMYIPOGBKCOP-TZMCWYRMSA-N 1 1 371.434 2.147 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375554 673851141 /nfs/dbraw/zinc/85/11/41/673851141.db2.gz XPJRTNURKPBGLM-OCCSQVGLSA-N 1 1 371.434 2.147 20 5 FEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602494204 673907059 /nfs/dbraw/zinc/90/70/59/673907059.db2.gz FOKAWZZSIWGNHJ-CYBMUJFWSA-N 1 1 360.183 2.131 20 5 FEBDMO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1Br ZINC000602550603 673908015 /nfs/dbraw/zinc/90/80/15/673908015.db2.gz KECRQCNRUJDKHV-ZETCQYMHSA-N 1 1 369.262 2.086 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000602837921 673911837 /nfs/dbraw/zinc/91/18/37/673911837.db2.gz PXAHPTSWRWDPFE-UHFFFAOYSA-N 1 1 363.384 2.448 20 5 FEBDMO CC[NH+]1CCN(C(=O)CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000548116408 673924640 /nfs/dbraw/zinc/92/46/40/673924640.db2.gz CEFUWTUVSVUCOH-UHFFFAOYSA-N 1 1 361.229 2.478 20 5 FEBDMO CSc1cccc(C(=O)NCCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000548599488 673978733 /nfs/dbraw/zinc/97/87/33/673978733.db2.gz CACRSRSPQBAFAG-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ncc1Br)C(C)C ZINC000825688883 675663815 /nfs/dbraw/zinc/66/38/15/675663815.db2.gz ZMESFOVBHFBIGG-UHFFFAOYSA-N 1 1 359.224 2.212 20 5 FEBDMO CC[C@H]1COCC[N@@H+]1CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000828928835 675852664 /nfs/dbraw/zinc/85/26/64/675852664.db2.gz QMVXYKJGWCTUJE-ZDUSSCGKSA-N 1 1 369.849 2.408 20 5 FEBDMO CC[C@H]1COCC[N@H+]1CCNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000828928835 675852668 /nfs/dbraw/zinc/85/26/68/675852668.db2.gz QMVXYKJGWCTUJE-ZDUSSCGKSA-N 1 1 369.849 2.408 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000839782217 680778664 /nfs/dbraw/zinc/77/86/64/680778664.db2.gz GONJUWHJAFYBCK-TXEJJXNPSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000839782217 680778665 /nfs/dbraw/zinc/77/86/65/680778665.db2.gz GONJUWHJAFYBCK-TXEJJXNPSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sc1C(C)(C)C ZINC001020139511 680101003 /nfs/dbraw/zinc/10/10/03/680101003.db2.gz BWUXQMMXNPXHHS-FDYHWXHSSA-N 1 1 366.487 2.151 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000832703094 680167860 /nfs/dbraw/zinc/16/78/60/680167860.db2.gz LETOZKOLBPLLPZ-UHFFFAOYSA-N 1 1 353.423 2.123 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1(C)C ZINC000832703094 680167863 /nfs/dbraw/zinc/16/78/63/680167863.db2.gz LETOZKOLBPLLPZ-UHFFFAOYSA-N 1 1 353.423 2.123 20 5 FEBDMO O=C1CC2(CN1)CC[NH+](Cn1c3cc([N+](=O)[O-])ccc3oc1=S)CC2 ZINC000751931259 680210434 /nfs/dbraw/zinc/21/04/34/680210434.db2.gz JFHCIEOURBBWHR-UHFFFAOYSA-N 1 1 362.411 2.432 20 5 FEBDMO COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c1Cl ZINC000996428802 680332152 /nfs/dbraw/zinc/33/21/52/680332152.db2.gz HPBXVEDEEFGRMI-ZIAGYGMSSA-N 1 1 367.833 2.094 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836474343 680474625 /nfs/dbraw/zinc/47/46/25/680474625.db2.gz GUIDLVASOVQZTB-UHFFFAOYSA-N 1 1 355.822 2.351 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000836541541 680481126 /nfs/dbraw/zinc/48/11/26/680481126.db2.gz GUGZOOXVQFSTAQ-VXGBXAGGSA-N 1 1 353.806 2.150 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c(C)cc1[N+](=O)[O-] ZINC000836627197 680491810 /nfs/dbraw/zinc/49/18/10/680491810.db2.gz JSTYDOXPAZLATI-GFCCVEGCSA-N 1 1 355.822 2.397 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1Cl ZINC000836791794 680514548 /nfs/dbraw/zinc/51/45/48/680514548.db2.gz ZDZVCZUDJRQGAV-LBPRGKRZSA-N 1 1 355.822 2.133 20 5 FEBDMO Cc1[nH+]ccn1CCCOC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000767732286 680924217 /nfs/dbraw/zinc/92/42/17/680924217.db2.gz MDZNHDMGJADLEZ-UHFFFAOYSA-N 1 1 365.411 2.431 20 5 FEBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768441435 680947017 /nfs/dbraw/zinc/94/70/17/680947017.db2.gz IKQYUNUNMJXSLY-NXEZZACHSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768441435 680947018 /nfs/dbraw/zinc/94/70/18/680947018.db2.gz IKQYUNUNMJXSLY-NXEZZACHSA-N 1 1 356.220 2.443 20 5 FEBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cccc(Cl)n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050326269 681045100 /nfs/dbraw/zinc/04/51/00/681045100.db2.gz VJZFWKOCKDWXKX-QHSBEEBCSA-N 1 1 366.849 2.165 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC001050516663 681049119 /nfs/dbraw/zinc/04/91/19/681049119.db2.gz GCPMJEUUSSTYMI-HZPDHXFCSA-N 1 1 363.845 2.430 20 5 FEBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000771396611 681054150 /nfs/dbraw/zinc/05/41/50/681054150.db2.gz NKCFKCWVFUSBFN-NEPJUHHUSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000771396611 681054154 /nfs/dbraw/zinc/05/41/54/681054154.db2.gz NKCFKCWVFUSBFN-NEPJUHHUSA-N 1 1 350.375 2.284 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC000844951886 681094735 /nfs/dbraw/zinc/09/47/35/681094735.db2.gz DQYUROUMJJLTNP-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)C(C)(C)C1 ZINC000844951886 681094737 /nfs/dbraw/zinc/09/47/37/681094737.db2.gz DQYUROUMJJLTNP-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845507758 681133786 /nfs/dbraw/zinc/13/37/86/681133786.db2.gz DITOGPRUEJXKAN-CYBMUJFWSA-N 1 1 370.812 2.306 20 5 FEBDMO CCC[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000776595873 681413115 /nfs/dbraw/zinc/41/31/15/681413115.db2.gz BSWDXXPRUQOQHE-QZTJIDSGSA-N 1 1 351.447 2.061 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934772831 681629555 /nfs/dbraw/zinc/62/95/55/681629555.db2.gz AWCQHUOEWDXSER-BZNIZROVSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934772831 681629559 /nfs/dbraw/zinc/62/95/59/681629559.db2.gz AWCQHUOEWDXSER-BZNIZROVSA-N 1 1 351.428 2.227 20 5 FEBDMO C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCO1 ZINC000934965674 681665691 /nfs/dbraw/zinc/66/56/91/681665691.db2.gz MGFJICNFOSFSIX-XHDPSFHLSA-N 1 1 355.822 2.016 20 5 FEBDMO C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCO1 ZINC000934965674 681665693 /nfs/dbraw/zinc/66/56/93/681665693.db2.gz MGFJICNFOSFSIX-XHDPSFHLSA-N 1 1 355.822 2.016 20 5 FEBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CC[NH+](CCCCCO)CC1 ZINC000913694153 685482509 /nfs/dbraw/zinc/48/25/09/685482509.db2.gz FBBRCXVPTFOUBB-UHFFFAOYSA-N 1 1 355.822 2.169 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000784968280 682264494 /nfs/dbraw/zinc/26/44/94/682264494.db2.gz XVYNGMAZFVQLQJ-QWRGUYRKSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000784968280 682264497 /nfs/dbraw/zinc/26/44/97/682264497.db2.gz XVYNGMAZFVQLQJ-QWRGUYRKSA-N 1 1 368.821 2.128 20 5 FEBDMO C[N@@H+]1C[C@]2(C)CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000918352046 685538574 /nfs/dbraw/zinc/53/85/74/685538574.db2.gz RMMWLRCXELWLEU-GASCZTMLSA-N 1 1 373.862 2.211 20 5 FEBDMO COCC[NH+]1CCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1 ZINC000787895274 682488140 /nfs/dbraw/zinc/48/81/40/682488140.db2.gz VHMNKCLZZNSTEF-UHFFFAOYSA-N 1 1 358.236 2.434 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Cl)C1 ZINC000858178696 682941067 /nfs/dbraw/zinc/94/10/67/682941067.db2.gz PPYRQNAMVSMCHU-GFCCVEGCSA-N 1 1 355.822 2.335 20 5 FEBDMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000926252936 683098901 /nfs/dbraw/zinc/09/89/01/683098901.db2.gz AFMDEVILAXQSRV-LGWLGOQQSA-N 1 1 367.471 2.256 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000797414617 683248845 /nfs/dbraw/zinc/24/88/45/683248845.db2.gz ONWKDTQLUPRUHR-OAHLLOKOSA-N 1 1 350.400 2.287 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1COC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000861036259 683335391 /nfs/dbraw/zinc/33/53/91/683335391.db2.gz ZFOIRLJSCRDJJS-OCCSQVGLSA-N 1 1 354.378 2.491 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1F ZINC000928077520 683370486 /nfs/dbraw/zinc/37/04/86/683370486.db2.gz CFDBPCKQXZJWCQ-ZYHUDNBSSA-N 1 1 371.409 2.491 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1F ZINC000928077520 683370487 /nfs/dbraw/zinc/37/04/87/683370487.db2.gz CFDBPCKQXZJWCQ-ZYHUDNBSSA-N 1 1 371.409 2.491 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928093618 683382602 /nfs/dbraw/zinc/38/26/02/683382602.db2.gz DITRSSMMFDLOJY-ZBFHGGJFSA-N 1 1 360.439 2.386 20 5 FEBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928094079 683384057 /nfs/dbraw/zinc/38/40/57/683384057.db2.gz ZMHXRFVEQOHTEP-KBPBESRZSA-N 1 1 371.409 2.383 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928094079 683384063 /nfs/dbraw/zinc/38/40/63/683384063.db2.gz ZMHXRFVEQOHTEP-KBPBESRZSA-N 1 1 371.409 2.383 20 5 FEBDMO COc1cc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@H+]2C)cc([N+](=O)[O-])c1C ZINC000861351987 683395799 /nfs/dbraw/zinc/39/57/99/683395799.db2.gz LIKJBBYRSMZKKZ-SUMWQHHRSA-N 1 1 352.387 2.178 20 5 FEBDMO C[C@H]1[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000928430960 683450031 /nfs/dbraw/zinc/45/00/31/683450031.db2.gz KHLLQHXXMKQBLT-JOYOIKCWSA-N 1 1 356.220 2.109 20 5 FEBDMO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866233133 684084926 /nfs/dbraw/zinc/08/49/26/684084926.db2.gz RPKDUBIQSZRFIT-GJZGRUSLSA-N 1 1 352.454 2.281 20 5 FEBDMO Cc1c(NC(=O)NC[C@H]2CC[N@@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000931251665 684249304 /nfs/dbraw/zinc/24/93/04/684249304.db2.gz WEQOZEYJMQDBNW-SNVBAGLBSA-N 1 1 357.208 2.491 20 5 FEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000931607894 684312106 /nfs/dbraw/zinc/31/21/06/684312106.db2.gz OPLGLZSNQRJBFX-TZMCWYRMSA-N 1 1 354.407 2.435 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932005682 684387416 /nfs/dbraw/zinc/38/74/16/684387416.db2.gz WUWYGHUSPPVDCH-MNOVXSKESA-N 1 1 369.805 2.270 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000932005682 684387421 /nfs/dbraw/zinc/38/74/21/684387421.db2.gz WUWYGHUSPPVDCH-MNOVXSKESA-N 1 1 369.805 2.270 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815193 684398001 /nfs/dbraw/zinc/39/80/01/684398001.db2.gz YVCNHQJSXBJMTH-SMDDNHRTSA-N 1 1 373.862 2.271 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000868716672 684532370 /nfs/dbraw/zinc/53/23/70/684532370.db2.gz GXHRWHRQRFUUQU-RISCZKNCSA-N 1 1 368.231 2.062 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1C ZINC000872663872 685000414 /nfs/dbraw/zinc/00/04/14/685000414.db2.gz PEEPPFJUGXICMN-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1C ZINC000872663872 685000417 /nfs/dbraw/zinc/00/04/17/685000417.db2.gz PEEPPFJUGXICMN-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000910850570 685128864 /nfs/dbraw/zinc/12/88/64/685128864.db2.gz FDRJCUSJHIFYHE-UHFFFAOYSA-N 1 1 355.460 2.211 20 5 FEBDMO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877798647 686465568 /nfs/dbraw/zinc/46/55/68/686465568.db2.gz APDIMEVWMXRLKA-ILXRZTDVSA-N 1 1 367.471 2.288 20 5 FEBDMO O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877798647 686465570 /nfs/dbraw/zinc/46/55/70/686465570.db2.gz APDIMEVWMXRLKA-ILXRZTDVSA-N 1 1 367.471 2.288 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)o1 ZINC000878200666 686540101 /nfs/dbraw/zinc/54/01/01/686540101.db2.gz NUJGGOHXZOGORJ-ZIAGYGMSSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)o1 ZINC000878200666 686540105 /nfs/dbraw/zinc/54/01/05/686540105.db2.gz NUJGGOHXZOGORJ-ZIAGYGMSSA-N 1 1 362.411 2.351 20 5 FEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000882490858 687376659 /nfs/dbraw/zinc/37/66/59/687376659.db2.gz XVGJDIDBBMGBSN-ZDUSSCGKSA-N 1 1 353.444 2.157 20 5 FEBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000882568276 687398507 /nfs/dbraw/zinc/39/85/07/687398507.db2.gz RTHRAFMDVADDSV-ZDUSSCGKSA-N 1 1 350.394 2.333 20 5 FEBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000882568276 687398512 /nfs/dbraw/zinc/39/85/12/687398512.db2.gz RTHRAFMDVADDSV-ZDUSSCGKSA-N 1 1 350.394 2.333 20 5 FEBDMO CCc1nn(C)c(N2CC[NH+](CCCOC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000882930189 687529109 /nfs/dbraw/zinc/52/91/09/687529109.db2.gz ANQXYRGUWPJAJX-UHFFFAOYSA-N 1 1 353.467 2.218 20 5 FEBDMO Cn1nc2c(c1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)CSCC2 ZINC000883195051 687585683 /nfs/dbraw/zinc/58/56/83/687585683.db2.gz JRKCIVJQESFHPK-QGZVFWFLSA-N 1 1 362.455 2.115 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)C[C@H]1C ZINC000888281273 688576483 /nfs/dbraw/zinc/57/64/83/688576483.db2.gz TVJOKCJNUNKWEE-LLVKDONJSA-N 1 1 356.810 2.087 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)C[C@H]1C ZINC000888281273 688576486 /nfs/dbraw/zinc/57/64/86/688576486.db2.gz TVJOKCJNUNKWEE-LLVKDONJSA-N 1 1 356.810 2.087 20 5 FEBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[N@@H+](C)CCN1C ZINC000895245013 689683483 /nfs/dbraw/zinc/68/34/83/689683483.db2.gz CEOGJAFPJWHCFT-YGRLFVJLSA-N 1 1 357.252 2.404 20 5 FEBDMO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000895794160 689772377 /nfs/dbraw/zinc/77/23/77/689772377.db2.gz DRXPLAMYCYMDDI-KCJUWKMLSA-N 1 1 352.334 2.136 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220082 689990108 /nfs/dbraw/zinc/99/01/08/689990108.db2.gz SCUZHTNCSMRRFN-OLZOCXBDSA-N 1 1 370.247 2.393 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897220082 689990109 /nfs/dbraw/zinc/99/01/09/689990109.db2.gz SCUZHTNCSMRRFN-OLZOCXBDSA-N 1 1 370.247 2.393 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000897685039 690062667 /nfs/dbraw/zinc/06/26/67/690062667.db2.gz ZGJZGAYFVYMFDT-CABZTGNLSA-N 1 1 364.320 2.357 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000897685039 690062671 /nfs/dbraw/zinc/06/26/71/690062671.db2.gz ZGJZGAYFVYMFDT-CABZTGNLSA-N 1 1 364.320 2.357 20 5 FEBDMO COc1cc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903091677 690843011 /nfs/dbraw/zinc/84/30/11/690843011.db2.gz YMYKTSJUCROPTR-LSDHHAIUSA-N 1 1 350.463 2.138 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+]3CCC3)C2)cc1[N+](=O)[O-] ZINC000903215992 690867749 /nfs/dbraw/zinc/86/77/49/690867749.db2.gz SAKMRUWAQDKDMA-NSHDSACASA-N 1 1 359.835 2.025 20 5 FEBDMO C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H](C)[NH+]1CCOCC1 ZINC000906580682 691287336 /nfs/dbraw/zinc/28/73/36/691287336.db2.gz HLOVGNSCLOKHFZ-STQMWFEESA-N 1 1 369.849 2.406 20 5 FEBDMO Nc1c(Cl)cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000907792053 691561435 /nfs/dbraw/zinc/56/14/35/691561435.db2.gz COVYYIUPJGYWNA-NEPJUHHUSA-N 1 1 356.785 2.089 20 5 FEBDMO COc1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164724294 720371174 /nfs/dbraw/zinc/37/11/74/720371174.db2.gz JCYVTHALDRVIOY-CABCVRRESA-N 1 1 355.398 2.247 20 5 FEBDMO O=[N+]([O-])c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979170 722100722 /nfs/dbraw/zinc/10/07/22/722100722.db2.gz HGASRGJUXSEYSE-FUHWJXTLSA-N 1 1 369.425 2.112 20 5 FEBDMO C[NH+](C)CCn1ccc(=NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)[nH]1 ZINC000514218960 539012579 /nfs/dbraw/zinc/01/25/79/539012579.db2.gz PJSWNCJFQQOCGY-UHFFFAOYSA-N 1 1 369.328 2.207 20 5 FEBDMO CCOC(=O)N1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000026164145 539779059 /nfs/dbraw/zinc/77/90/59/539779059.db2.gz MRRAWYYKNIEKST-UHFFFAOYSA-N 1 1 364.402 2.006 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000041786025 540033080 /nfs/dbraw/zinc/03/30/80/540033080.db2.gz LHTFUIHZXHGDIE-CQSZACIVSA-N 1 1 362.430 2.304 20 5 FEBDMO O=[N+]([O-])c1c(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)nc2sccn21 ZINC000046479069 540259066 /nfs/dbraw/zinc/25/90/66/540259066.db2.gz ZSSSYTMMQYJODG-CQSZACIVSA-N 1 1 373.438 2.135 20 5 FEBDMO CCCNC(=O)C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000046510853 540260512 /nfs/dbraw/zinc/26/05/12/540260512.db2.gz BSKUXGBCCUYSGT-UHFFFAOYSA-N 1 1 373.413 2.383 20 5 FEBDMO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000047213299 540297113 /nfs/dbraw/zinc/29/71/13/540297113.db2.gz ZHPORMUHSNDKGG-KBPBESRZSA-N 1 1 372.429 2.026 20 5 FEBDMO CC(C)(C)NC(=O)CN1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000052072008 540453080 /nfs/dbraw/zinc/45/30/80/540453080.db2.gz PQLNRPNKWVVCCQ-UHFFFAOYSA-N 1 1 362.474 2.060 20 5 FEBDMO Cc1noc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862432 540494883 /nfs/dbraw/zinc/49/48/83/540494883.db2.gz HIEVGHHEEPJQRV-ZDUSSCGKSA-N 1 1 359.386 2.494 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000053667206 540548090 /nfs/dbraw/zinc/54/80/90/540548090.db2.gz AGJBHKOPODDUFR-CHWSQXEVSA-N 1 1 359.835 2.153 20 5 FEBDMO CNS(=O)(=O)c1ccc(N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000054981049 540619540 /nfs/dbraw/zinc/61/95/40/540619540.db2.gz FHEOGOUHEBVLSS-QWHCGFSZSA-N 1 1 370.475 2.035 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000055266219 540642166 /nfs/dbraw/zinc/64/21/66/540642166.db2.gz NLZCVKZSBVFMDY-UHFFFAOYSA-N 1 1 372.834 2.430 20 5 FEBDMO Cc1ccc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000056965640 540758510 /nfs/dbraw/zinc/75/85/10/540758510.db2.gz QDTFFUXREGBRNM-UHFFFAOYSA-N 1 1 368.437 2.455 20 5 FEBDMO Cc1c(C(=O)N2CCC[N@H+](C(C)C)CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000068801486 541630457 /nfs/dbraw/zinc/63/04/57/541630457.db2.gz KMPWBHYOFOYKAN-UHFFFAOYSA-N 1 1 372.429 2.040 20 5 FEBDMO COc1cc(OCC(=O)NCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000068882376 541636703 /nfs/dbraw/zinc/63/67/03/541636703.db2.gz WZRHNNVVEQLVEO-UHFFFAOYSA-N 1 1 373.409 2.230 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000069044252 541652413 /nfs/dbraw/zinc/65/24/13/541652413.db2.gz SUSWPEQFEVFWAJ-AWEZNQCLSA-N 1 1 372.429 2.026 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000069129490 541662507 /nfs/dbraw/zinc/66/25/07/541662507.db2.gz BLWMFUUCZZJBLQ-VIFPVBQESA-N 1 1 361.851 2.318 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071063404 541762072 /nfs/dbraw/zinc/76/20/72/541762072.db2.gz SDCPAZLTXIWPTD-MRXNPFEDSA-N 1 1 355.394 2.364 20 5 FEBDMO Cc1c(Br)c(NCCC[NH+]2CCN(C)CC2)ncc1[N+](=O)[O-] ZINC000544410147 541765509 /nfs/dbraw/zinc/76/55/09/541765509.db2.gz ZZRQLZPZYWIPBB-UHFFFAOYSA-N 1 1 372.267 2.110 20 5 FEBDMO COCCOC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000072796599 541865787 /nfs/dbraw/zinc/86/57/87/541865787.db2.gz CZCKZNKHWVNQAK-LBPRGKRZSA-N 1 1 371.821 2.172 20 5 FEBDMO COCCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000072796599 541865791 /nfs/dbraw/zinc/86/57/91/541865791.db2.gz CZCKZNKHWVNQAK-LBPRGKRZSA-N 1 1 371.821 2.172 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CCOCC2 ZINC000072899235 541891146 /nfs/dbraw/zinc/89/11/46/541891146.db2.gz HJGUFJWCDZBAPM-ZDUSSCGKSA-N 1 1 363.414 2.433 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000074165627 542046724 /nfs/dbraw/zinc/04/67/24/542046724.db2.gz RLTUSJVRVJQTJV-OAHLLOKOSA-N 1 1 364.446 2.489 20 5 FEBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000075898752 542214176 /nfs/dbraw/zinc/21/41/76/542214176.db2.gz BECHKYATCMYMMA-MJGOQNOKSA-N 1 1 360.410 2.390 20 5 FEBDMO Cc1nsc(N2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000075967942 542220212 /nfs/dbraw/zinc/22/02/12/542220212.db2.gz BTWOBPVNEPYSCG-UHFFFAOYSA-N 1 1 363.443 2.346 20 5 FEBDMO CN(C)CC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000075986298 542222285 /nfs/dbraw/zinc/22/22/85/542222285.db2.gz GVILVQGOKNHBLD-UHFFFAOYSA-N 1 1 369.853 2.396 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC[C@@H]2c2cccs2)c1 ZINC000076179411 542239996 /nfs/dbraw/zinc/23/99/96/542239996.db2.gz JYLFYUHGUJOGEO-QWHCGFSZSA-N 1 1 354.457 2.004 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000076191145 542241593 /nfs/dbraw/zinc/24/15/93/542241593.db2.gz OQDQQRGGBCZHIS-KBPBESRZSA-N 1 1 355.460 2.444 20 5 FEBDMO Cc1c(C(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000077450230 542383593 /nfs/dbraw/zinc/38/35/93/542383593.db2.gz GSHUTCWQQKMIMH-INIZCTEOSA-N 1 1 360.458 2.003 20 5 FEBDMO Cc1[nH]nc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000084365128 542711830 /nfs/dbraw/zinc/71/18/30/542711830.db2.gz YVCHOQDLAFPSIS-UHFFFAOYSA-N 1 1 357.414 2.363 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087355366 542744431 /nfs/dbraw/zinc/74/44/31/542744431.db2.gz NLLPOCKOTKLKRZ-UHFFFAOYSA-N 1 1 362.474 2.012 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087355366 542744435 /nfs/dbraw/zinc/74/44/35/542744435.db2.gz NLLPOCKOTKLKRZ-UHFFFAOYSA-N 1 1 362.474 2.012 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089933473 542775901 /nfs/dbraw/zinc/77/59/01/542775901.db2.gz OWRFIORPSWXMFN-RWMBFGLXSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089933473 542775905 /nfs/dbraw/zinc/77/59/05/542775905.db2.gz OWRFIORPSWXMFN-RWMBFGLXSA-N 1 1 351.403 2.023 20 5 FEBDMO C[C@](O)(CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000090095250 542782591 /nfs/dbraw/zinc/78/25/91/542782591.db2.gz YEAHQDUNONENLF-IBGZPJMESA-N 1 1 372.425 2.152 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000092642211 542876460 /nfs/dbraw/zinc/87/64/60/542876460.db2.gz QCTHOXPYDRUZOF-CYBMUJFWSA-N 1 1 357.414 2.142 20 5 FEBDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000093298346 542924596 /nfs/dbraw/zinc/92/45/96/542924596.db2.gz GBMUQUKNMRSHSF-CQSZACIVSA-N 1 1 363.414 2.105 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000107696723 543276016 /nfs/dbraw/zinc/27/60/16/543276016.db2.gz BKGUVJSQCIBBHZ-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)s1 ZINC000108401299 543289012 /nfs/dbraw/zinc/28/90/12/543289012.db2.gz SXXZMNSBBRHKAG-LBPRGKRZSA-N 1 1 359.473 2.295 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000108605438 543297439 /nfs/dbraw/zinc/29/74/39/543297439.db2.gz VCKSCLDFEYQHHL-OLZOCXBDSA-N 1 1 363.414 2.232 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000108784899 543302904 /nfs/dbraw/zinc/30/29/04/543302904.db2.gz NUPPSAVNGADNHG-OAHLLOKOSA-N 1 1 372.469 2.412 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131947 543315337 /nfs/dbraw/zinc/31/53/37/543315337.db2.gz WJSCXXUIWDRBEU-IRXDYDNUSA-N 1 1 355.398 2.234 20 5 FEBDMO O=C1[C@@H]([N@H+]2CCC[C@H](n3cccn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131947 543315339 /nfs/dbraw/zinc/31/53/39/543315339.db2.gz WJSCXXUIWDRBEU-IRXDYDNUSA-N 1 1 355.398 2.234 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109986261 543345454 /nfs/dbraw/zinc/34/54/54/543345454.db2.gz NRVVQLGPMQIZQI-LBPRGKRZSA-N 1 1 358.398 2.041 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000110815726 543369408 /nfs/dbraw/zinc/36/94/08/543369408.db2.gz ITVMXHFGDHCCSS-UHFFFAOYSA-N 1 1 357.414 2.163 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000113305918 543484074 /nfs/dbraw/zinc/48/40/74/543484074.db2.gz KEPYHBMIPFFWNH-GXTWGEPZSA-N 1 1 353.444 2.069 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114062583 543503154 /nfs/dbraw/zinc/50/31/54/543503154.db2.gz JAXNYBRGLSBLSI-UWVGGRQHSA-N 1 1 357.794 2.316 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000115585500 543575854 /nfs/dbraw/zinc/57/58/54/543575854.db2.gz AMHSIMOKVQAGPG-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869295 543728498 /nfs/dbraw/zinc/72/84/98/543728498.db2.gz KJLSRYHFMVEZOK-NWDGAFQWSA-N 1 1 351.403 2.167 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000123286880 543752820 /nfs/dbraw/zinc/75/28/20/543752820.db2.gz NXVXPFKYQTXVDP-UHFFFAOYSA-N 1 1 371.434 2.373 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124053855 543798343 /nfs/dbraw/zinc/79/83/43/543798343.db2.gz ZSDFJEWAMLDFFI-MWLCHTKSSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124053855 543798346 /nfs/dbraw/zinc/79/83/46/543798346.db2.gz ZSDFJEWAMLDFFI-MWLCHTKSSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1C ZINC000126218982 543924195 /nfs/dbraw/zinc/92/41/95/543924195.db2.gz MMJSVYZBSVYEHG-CHWSQXEVSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1C ZINC000126218982 543924198 /nfs/dbraw/zinc/92/41/98/543924198.db2.gz MMJSVYZBSVYEHG-CHWSQXEVSA-N 1 1 353.444 2.115 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000127929302 544021872 /nfs/dbraw/zinc/02/18/72/544021872.db2.gz SOXQIHFNTPZJBL-OKILXGFUSA-N 1 1 374.441 2.234 20 5 FEBDMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000127355147 543988010 /nfs/dbraw/zinc/98/80/10/543988010.db2.gz UYJZWSFGYLEWQG-CVEARBPZSA-N 1 1 373.384 2.099 20 5 FEBDMO CCC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000131379577 544188132 /nfs/dbraw/zinc/18/81/32/544188132.db2.gz DYCYAXRDBAUVRU-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247500007 549345500 /nfs/dbraw/zinc/34/55/00/549345500.db2.gz LPBXRMLLINYBCB-MLGOLLRUSA-N 1 1 352.822 2.369 20 5 FEBDMO Cc1nc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)ccc1[N+](=O)[O-] ZINC000135452646 544347276 /nfs/dbraw/zinc/34/72/76/544347276.db2.gz VOPXOMDGAMCRGF-UHFFFAOYSA-N 1 1 371.441 2.422 20 5 FEBDMO O=[N+]([O-])c1ccc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)nc1 ZINC000135452423 544347477 /nfs/dbraw/zinc/34/74/77/544347477.db2.gz CCBRFHFMGQUEPM-UHFFFAOYSA-N 1 1 357.414 2.114 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000140463321 544409334 /nfs/dbraw/zinc/40/93/34/544409334.db2.gz YUBSJNOUHRJOIL-LSBZLQRGSA-N 1 1 359.426 2.327 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)Cc1cccnc1 ZINC000152331260 544640107 /nfs/dbraw/zinc/64/01/07/544640107.db2.gz SNFNOBNKLJWYHC-UHFFFAOYSA-N 1 1 358.398 2.121 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000152856807 544703648 /nfs/dbraw/zinc/70/36/48/544703648.db2.gz TYLAHUYKCMSXAD-HIFRSBDPSA-N 1 1 353.444 2.008 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000152884290 544706114 /nfs/dbraw/zinc/70/61/14/544706114.db2.gz HGGGPXOKZYKHJK-DGCLKSJQSA-N 1 1 373.862 2.353 20 5 FEBDMO COC(=O)[C@@H](C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000153755306 544817980 /nfs/dbraw/zinc/81/79/80/544817980.db2.gz NJCBUZMUVJPFMG-JTQLQIEISA-N 1 1 369.805 2.460 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000153755306 544817983 /nfs/dbraw/zinc/81/79/83/544817983.db2.gz NJCBUZMUVJPFMG-JTQLQIEISA-N 1 1 369.805 2.460 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153981508 544849117 /nfs/dbraw/zinc/84/91/17/544849117.db2.gz ZEKPSWUBNLHITJ-HOCLYGCPSA-N 1 1 359.426 2.449 20 5 FEBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](CO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000183662514 327829317 /nfs/dbraw/zinc/82/93/17/327829317.db2.gz KXPQTDVROFJUMF-INIZCTEOSA-N 1 1 359.382 2.255 20 5 FEBDMO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ncc(-c2ccccc2)o1 ZINC000184848211 327885551 /nfs/dbraw/zinc/88/55/51/327885551.db2.gz NLRVZDNSECZKHY-WFASDCNBSA-N 1 1 357.370 2.158 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189816935 328169638 /nfs/dbraw/zinc/16/96/38/328169638.db2.gz LYAYOZDMWPHSCC-INIZCTEOSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000189816935 328169639 /nfs/dbraw/zinc/16/96/39/328169639.db2.gz LYAYOZDMWPHSCC-INIZCTEOSA-N 1 1 362.430 2.078 20 5 FEBDMO COc1cc(C[N@@H+](C)CC2CC(O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000190176031 328192559 /nfs/dbraw/zinc/19/25/59/328192559.db2.gz HSCMJBYTIQVEPM-UHFFFAOYSA-N 1 1 360.357 2.450 20 5 FEBDMO CCc1nnc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000190666937 328223477 /nfs/dbraw/zinc/22/34/77/328223477.db2.gz URLLMMUUDPLAGY-UHFFFAOYSA-N 1 1 372.429 2.484 20 5 FEBDMO CCc1nc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000190666937 328223478 /nfs/dbraw/zinc/22/34/78/328223478.db2.gz URLLMMUUDPLAGY-UHFFFAOYSA-N 1 1 372.429 2.484 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191319161 328259959 /nfs/dbraw/zinc/25/99/59/328259959.db2.gz MPHHWDUYRKYVDN-UHFFFAOYSA-N 1 1 350.419 2.398 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000191801943 328282861 /nfs/dbraw/zinc/28/28/61/328282861.db2.gz MVKAWIZARZZKBL-MRXNPFEDSA-N 1 1 371.441 2.106 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000191816601 328283447 /nfs/dbraw/zinc/28/34/47/328283447.db2.gz PKPONNMXUMEPSJ-YPMHNXCESA-N 1 1 367.377 2.194 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000192026625 328295043 /nfs/dbraw/zinc/29/50/43/328295043.db2.gz LOLPZEYFOTZHMY-OLZOCXBDSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000192026625 328295044 /nfs/dbraw/zinc/29/50/44/328295044.db2.gz LOLPZEYFOTZHMY-OLZOCXBDSA-N 1 1 353.444 2.115 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000192837613 328342811 /nfs/dbraw/zinc/34/28/11/328342811.db2.gz YLNRZEDYPFZFGJ-CQSZACIVSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cccc(OC)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000192837613 328342813 /nfs/dbraw/zinc/34/28/13/328342813.db2.gz YLNRZEDYPFZFGJ-CQSZACIVSA-N 1 1 365.430 2.176 20 5 FEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000083249251 325217665 /nfs/dbraw/zinc/21/76/65/325217665.db2.gz NROSFTDQMQBPLR-ARFHVFGLSA-N 1 1 354.451 2.068 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000104675305 325542349 /nfs/dbraw/zinc/54/23/49/325542349.db2.gz JFRVMOKTISGGHO-UHFFFAOYSA-N 1 1 362.430 2.372 20 5 FEBDMO CC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000110120792 325683902 /nfs/dbraw/zinc/68/39/02/325683902.db2.gz KESQRWOADZFPTH-UHFFFAOYSA-N 1 1 363.386 2.487 20 5 FEBDMO CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1cnn(C)c1 ZINC000117337878 326058214 /nfs/dbraw/zinc/05/82/14/326058214.db2.gz PRSSVPCAVLBJFI-UHFFFAOYSA-N 1 1 359.386 2.148 20 5 FEBDMO CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118865932 326109377 /nfs/dbraw/zinc/10/93/77/326109377.db2.gz NVKGGEVEGDOSGN-LSDHHAIUSA-N 1 1 361.446 2.267 20 5 FEBDMO CC[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118865932 326109378 /nfs/dbraw/zinc/10/93/78/326109378.db2.gz NVKGGEVEGDOSGN-LSDHHAIUSA-N 1 1 361.446 2.267 20 5 FEBDMO C[C@H](NC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000118866525 326109622 /nfs/dbraw/zinc/10/96/22/326109622.db2.gz IZDZFCFWAXHNOM-HOCLYGCPSA-N 1 1 369.425 2.353 20 5 FEBDMO C[C@H](NC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000118866525 326109625 /nfs/dbraw/zinc/10/96/25/326109625.db2.gz IZDZFCFWAXHNOM-HOCLYGCPSA-N 1 1 369.425 2.353 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000119095884 326126501 /nfs/dbraw/zinc/12/65/01/326126501.db2.gz GEADEBHKDJFQAY-UHFFFAOYSA-N 1 1 352.416 2.119 20 5 FEBDMO C[C@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)CS(C)(=O)=O ZINC000119483350 326167542 /nfs/dbraw/zinc/16/75/42/326167542.db2.gz UAPAHVSWNOGFLX-CYBMUJFWSA-N 1 1 356.444 2.119 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000120032722 326223598 /nfs/dbraw/zinc/22/35/98/326223598.db2.gz VNMJZUYMSFXMBW-ZIAGYGMSSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000120032722 326223602 /nfs/dbraw/zinc/22/36/02/326223602.db2.gz VNMJZUYMSFXMBW-ZIAGYGMSSA-N 1 1 350.419 2.130 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000120120791 326231809 /nfs/dbraw/zinc/23/18/09/326231809.db2.gz LWCXZDJWLDJFPT-UHFFFAOYSA-N 1 1 350.419 2.398 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000120724613 326282680 /nfs/dbraw/zinc/28/26/80/326282680.db2.gz ZYZUKISSEVZGQE-WDEREUQCSA-N 1 1 368.821 2.128 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121087966 326312142 /nfs/dbraw/zinc/31/21/42/326312142.db2.gz SRHRDORYWPLEHI-GUYCJALGSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1c(CC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000121709881 326360484 /nfs/dbraw/zinc/36/04/84/326360484.db2.gz GVFMBTZURIZZHT-GOSISDBHSA-N 1 1 374.485 2.074 20 5 FEBDMO CC1CC[NH+](CCCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000121953256 326378055 /nfs/dbraw/zinc/37/80/55/326378055.db2.gz UYZSRNXERHEGLO-UHFFFAOYSA-N 1 1 359.423 2.134 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000163210415 327046008 /nfs/dbraw/zinc/04/60/08/327046008.db2.gz LGCKDKHQIREIRR-UHFFFAOYSA-N 1 1 350.419 2.214 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000171865106 327166419 /nfs/dbraw/zinc/16/64/19/327166419.db2.gz JENMBEZEGDHGST-LLVKDONJSA-N 1 1 369.381 2.007 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@@H](OCCO)C3)o2)c1 ZINC000172301548 327194126 /nfs/dbraw/zinc/19/41/26/327194126.db2.gz DUPRBKBSKZXGOZ-MRXNPFEDSA-N 1 1 361.398 2.266 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000172619137 327212077 /nfs/dbraw/zinc/21/20/77/327212077.db2.gz QRLHOJNGJVEREI-HIFRSBDPSA-N 1 1 357.414 2.335 20 5 FEBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000173273502 327245514 /nfs/dbraw/zinc/24/55/14/327245514.db2.gz BBYXBYIHDGRJLQ-WDEREUQCSA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000173474116 327259904 /nfs/dbraw/zinc/25/99/04/327259904.db2.gz VMMDIMRTKPFLTB-RDJZCZTQSA-N 1 1 372.425 2.224 20 5 FEBDMO COCCOC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173729592 327279635 /nfs/dbraw/zinc/27/96/35/327279635.db2.gz LFXZXIMRPMYZSZ-GFCCVEGCSA-N 1 1 371.821 2.172 20 5 FEBDMO COCCOC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173729592 327279637 /nfs/dbraw/zinc/27/96/37/327279637.db2.gz LFXZXIMRPMYZSZ-GFCCVEGCSA-N 1 1 371.821 2.172 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000173948671 327296919 /nfs/dbraw/zinc/29/69/19/327296919.db2.gz KWZUHVGMBGPJJS-CQSZACIVSA-N 1 1 355.460 2.256 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174150513 327308916 /nfs/dbraw/zinc/30/89/16/327308916.db2.gz AQSSCWQISWCGTD-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000174818017 327353008 /nfs/dbraw/zinc/35/30/08/327353008.db2.gz FGDYTWKLOFWAJG-INIZCTEOSA-N 1 1 372.429 2.468 20 5 FEBDMO Cc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000264266927 329005906 /nfs/dbraw/zinc/00/59/06/329005906.db2.gz QVEQWXLBFNVVSK-UHFFFAOYSA-N 1 1 365.821 2.484 20 5 FEBDMO Cc1cc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000264568818 329036468 /nfs/dbraw/zinc/03/64/68/329036468.db2.gz WPHQLRWNOVFPON-QGZVFWFLSA-N 1 1 360.458 2.145 20 5 FEBDMO CSCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265476644 329131095 /nfs/dbraw/zinc/13/10/95/329131095.db2.gz FRYYOAWHBRWBCT-JTQLQIEISA-N 1 1 355.416 2.335 20 5 FEBDMO COc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc([N+](=O)[O-])c1OC ZINC000265975446 329178356 /nfs/dbraw/zinc/17/83/56/329178356.db2.gz XFKYPUSRSBFUSH-NSHDSACASA-N 1 1 362.386 2.183 20 5 FEBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1C(N)=O ZINC000266229056 329202691 /nfs/dbraw/zinc/20/26/91/329202691.db2.gz TXDDTTOZKSJKQI-OAHLLOKOSA-N 1 1 369.425 2.047 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369637 329320189 /nfs/dbraw/zinc/32/01/89/329320189.db2.gz FUJMOPOLINRSLX-MAUKXSAKSA-N 1 1 371.441 2.208 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000267711435 329351871 /nfs/dbraw/zinc/35/18/71/329351871.db2.gz VSANBDRZVHLSHM-UHFFFAOYSA-N 1 1 372.834 2.430 20 5 FEBDMO Cc1c(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000268156088 329391400 /nfs/dbraw/zinc/39/14/00/329391400.db2.gz HDOIUUDXJNCSJY-OTYXRUKQSA-N 1 1 362.386 2.332 20 5 FEBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CC1 ZINC000270902380 329643380 /nfs/dbraw/zinc/64/33/80/329643380.db2.gz ORFNLJMBMHOBFQ-UHFFFAOYSA-N 1 1 353.444 2.111 20 5 FEBDMO Cc1noc(CCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000272569491 329792781 /nfs/dbraw/zinc/79/27/81/329792781.db2.gz VPEWWKAFPGVRCH-MRXNPFEDSA-N 1 1 356.386 2.332 20 5 FEBDMO COc1ccccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272909652 329822855 /nfs/dbraw/zinc/82/28/55/329822855.db2.gz GAQPFKBOBSISFZ-UHFFFAOYSA-N 1 1 350.396 2.167 20 5 FEBDMO C[C@@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1=CC[N@@H+](C)CC1 ZINC000276317625 330140164 /nfs/dbraw/zinc/14/01/64/330140164.db2.gz PMCAZGDPDWFRKX-CYBMUJFWSA-N 1 1 360.414 2.018 20 5 FEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000276395579 330148284 /nfs/dbraw/zinc/14/82/84/330148284.db2.gz CLLGBXNWSMFEMR-WCQYABFASA-N 1 1 352.387 2.243 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000276395579 330148285 /nfs/dbraw/zinc/14/82/85/330148285.db2.gz CLLGBXNWSMFEMR-WCQYABFASA-N 1 1 352.387 2.243 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000367078667 330214370 /nfs/dbraw/zinc/21/43/70/330214370.db2.gz CYTBQISXUPQEDK-WBMJQRKESA-N 1 1 374.397 2.478 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000367078667 330214371 /nfs/dbraw/zinc/21/43/71/330214371.db2.gz CYTBQISXUPQEDK-WBMJQRKESA-N 1 1 374.397 2.478 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000367078665 330214439 /nfs/dbraw/zinc/21/44/39/330214439.db2.gz CYTBQISXUPQEDK-MLGOLLRUSA-N 1 1 374.397 2.478 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000367078665 330214441 /nfs/dbraw/zinc/21/44/41/330214441.db2.gz CYTBQISXUPQEDK-MLGOLLRUSA-N 1 1 374.397 2.478 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367160260 330224397 /nfs/dbraw/zinc/22/43/97/330224397.db2.gz ZLTQPOLXICFECC-IAGOWNOFSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367160260 330224399 /nfs/dbraw/zinc/22/43/99/330224399.db2.gz ZLTQPOLXICFECC-IAGOWNOFSA-N 1 1 363.414 2.112 20 5 FEBDMO C[C@@H]1[NH2+]CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440836270 330276095 /nfs/dbraw/zinc/27/60/95/330276095.db2.gz ZEVOSKOWVVCTKQ-OIBJUYFYSA-N 1 1 368.242 2.320 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000157306107 545725766 /nfs/dbraw/zinc/72/57/66/545725766.db2.gz OYCGNFITTNSCCM-RDTXWAMCSA-N 1 1 369.425 2.337 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000477695342 561151307 /nfs/dbraw/zinc/15/13/07/561151307.db2.gz RQIHBOWQSYMWEZ-LBPRGKRZSA-N 1 1 351.403 2.431 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4ccccc4[N+](=O)[O-])n3)CC[C@@H]21 ZINC000157733200 545776043 /nfs/dbraw/zinc/77/60/43/545776043.db2.gz QHOLFAHWTXMJHR-HOCLYGCPSA-N 1 1 369.425 2.337 20 5 FEBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C1 ZINC000158290137 545845094 /nfs/dbraw/zinc/84/50/94/545845094.db2.gz PTYKQWFWRQUWAT-UHFFFAOYSA-N 1 1 370.409 2.367 20 5 FEBDMO C[N@H+]1C[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000478401566 561165942 /nfs/dbraw/zinc/16/59/42/561165942.db2.gz RBCSEPVZKCLPPJ-QZTJIDSGSA-N 1 1 355.394 2.188 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000159845343 545984723 /nfs/dbraw/zinc/98/47/23/545984723.db2.gz FIBNAEGSDFAVAM-QGZVFWFLSA-N 1 1 370.453 2.353 20 5 FEBDMO C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1Cc1ccccc1 ZINC000159862441 545987488 /nfs/dbraw/zinc/98/74/88/545987488.db2.gz JXDPAWYSLFKORQ-QGZVFWFLSA-N 1 1 370.453 2.353 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000160487085 546044988 /nfs/dbraw/zinc/04/49/88/546044988.db2.gz YMFOVTCYSICUNF-UPJWGTAASA-N 1 1 365.459 2.382 20 5 FEBDMO CS(=O)(=O)CCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000163905797 546147561 /nfs/dbraw/zinc/14/75/61/546147561.db2.gz PFYMVISJCPPYIK-UHFFFAOYSA-N 1 1 356.444 2.263 20 5 FEBDMO C[C@H](NC(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175693835 546335091 /nfs/dbraw/zinc/33/50/91/546335091.db2.gz OBFHZZVQHCSWPT-GRDNDAEWSA-N 1 1 362.430 2.018 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000176050819 546396569 /nfs/dbraw/zinc/39/65/69/546396569.db2.gz GVIAUUMTGUSRAI-WFASDCNBSA-N 1 1 350.419 2.085 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000176468363 546451021 /nfs/dbraw/zinc/45/10/21/546451021.db2.gz KYJWNYZVMIJUOH-CQSZACIVSA-N 1 1 364.446 2.381 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)Cc1ccc(F)cc1 ZINC000177053224 546533271 /nfs/dbraw/zinc/53/32/71/546533271.db2.gz XHOABHOBEHSESD-UHFFFAOYSA-N 1 1 364.352 2.317 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000179761514 547009595 /nfs/dbraw/zinc/00/95/95/547009595.db2.gz REFPSGLCUIVQPK-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)n2)cc1 ZINC000483023485 561265160 /nfs/dbraw/zinc/26/51/60/561265160.db2.gz QINRIPOEUQXDJG-INIZCTEOSA-N 1 1 374.397 2.415 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000181958883 547413813 /nfs/dbraw/zinc/41/38/13/547413813.db2.gz KMELUXVLZOCLBA-WMZOPIPTSA-N 1 1 372.421 2.316 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H]1c1ccccc1 ZINC000182777528 547551425 /nfs/dbraw/zinc/55/14/25/547551425.db2.gz DKYZIZZLUDFQBN-YOEHRIQHSA-N 1 1 369.377 2.499 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000182960640 547580006 /nfs/dbraw/zinc/58/00/06/547580006.db2.gz MSAUMQCBPQJKBF-WCQYABFASA-N 1 1 359.423 2.003 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000183143120 547608817 /nfs/dbraw/zinc/60/88/17/547608817.db2.gz UGRXQOFTIPKMBV-UHFFFAOYSA-N 1 1 364.446 2.396 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000183728114 547708475 /nfs/dbraw/zinc/70/84/75/547708475.db2.gz XFJRMUDBQUWWMM-RHSMWYFYSA-N 1 1 369.487 2.129 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOCC4(CCOCC4)C3)o2)cc1 ZINC000184080097 547766532 /nfs/dbraw/zinc/76/65/32/547766532.db2.gz HEKJAOLEXPGEME-UHFFFAOYSA-N 1 1 374.397 2.274 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOCC4(CCOCC4)C3)o2)cc1 ZINC000184080097 547766538 /nfs/dbraw/zinc/76/65/38/547766538.db2.gz HEKJAOLEXPGEME-UHFFFAOYSA-N 1 1 374.397 2.274 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000184297068 547801924 /nfs/dbraw/zinc/80/19/24/547801924.db2.gz TTYPOAYEDLPJFS-LBPRGKRZSA-N 1 1 354.838 2.004 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000185225816 547955524 /nfs/dbraw/zinc/95/55/24/547955524.db2.gz DOQPAXDQRNDROH-UHFFFAOYSA-N 1 1 361.851 2.271 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186042887 548076850 /nfs/dbraw/zinc/07/68/50/548076850.db2.gz QVLZBMRORMTWKT-GFCCVEGCSA-N 1 1 369.853 2.396 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)c1ccccc1Cl ZINC000186615594 548159920 /nfs/dbraw/zinc/15/99/20/548159920.db2.gz FQGYKZPHKUDHPY-CQSZACIVSA-N 1 1 363.805 2.258 20 5 FEBDMO CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487000727 561361206 /nfs/dbraw/zinc/36/12/06/561361206.db2.gz MTDLSAGKYMJAQF-SNVBAGLBSA-N 1 1 357.794 2.460 20 5 FEBDMO CCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000487000727 561361207 /nfs/dbraw/zinc/36/12/07/561361207.db2.gz MTDLSAGKYMJAQF-SNVBAGLBSA-N 1 1 357.794 2.460 20 5 FEBDMO C[C@@H](O)C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000226485232 548748507 /nfs/dbraw/zinc/74/85/07/548748507.db2.gz LFOZKYDUEQWZHS-RHSMWYFYSA-N 1 1 352.431 2.350 20 5 FEBDMO Cc1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000245459706 548926074 /nfs/dbraw/zinc/92/60/74/548926074.db2.gz VMMDIMRTKPFLTB-WBVHZDCISA-N 1 1 372.425 2.224 20 5 FEBDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000245896820 549013726 /nfs/dbraw/zinc/01/37/26/549013726.db2.gz PIQFIJPDFBUBGT-HOTGVXAUSA-N 1 1 373.384 2.099 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245962834 549029616 /nfs/dbraw/zinc/02/96/16/549029616.db2.gz VCRZEQCLMYALPD-JSGCOSHPSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245962834 549029619 /nfs/dbraw/zinc/02/96/19/549029619.db2.gz VCRZEQCLMYALPD-JSGCOSHPSA-N 1 1 363.805 2.157 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000246399345 549124609 /nfs/dbraw/zinc/12/46/09/549124609.db2.gz QHZIFJVIEYKWKT-XLIONFOSSA-N 1 1 372.421 2.316 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890531 549236433 /nfs/dbraw/zinc/23/64/33/549236433.db2.gz MANYGCVNZMMOLW-OLMNPRSZSA-N 1 1 358.442 2.116 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000247230050 549303101 /nfs/dbraw/zinc/30/31/01/549303101.db2.gz RYTUYUMTQLDJTR-XJKSGUPXSA-N 1 1 371.441 2.420 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000247649166 549368628 /nfs/dbraw/zinc/36/86/28/549368628.db2.gz PCIOPJQWRDBUGC-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO CC(C)CCO[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248453348 549440738 /nfs/dbraw/zinc/44/07/38/549440738.db2.gz JXOZPOXZTYBMBG-HZPDHXFCSA-N 1 1 352.431 2.472 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C(N)=O)C1 ZINC000249593939 549609203 /nfs/dbraw/zinc/60/92/03/549609203.db2.gz WFXVUPSCWRVROJ-IUODEOHRSA-N 1 1 358.398 2.378 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249687221 549615426 /nfs/dbraw/zinc/61/54/26/549615426.db2.gz KHVPQOLCVJYTIY-RHSMWYFYSA-N 1 1 364.446 2.312 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000263779942 549935662 /nfs/dbraw/zinc/93/56/62/549935662.db2.gz VGMZFMIUKMKBAW-UHFFFAOYSA-N 1 1 373.356 2.419 20 5 FEBDMO COCCN(C)CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263815785 549941268 /nfs/dbraw/zinc/94/12/68/549941268.db2.gz OLMOZUMUICIZHC-UHFFFAOYSA-N 1 1 361.446 2.053 20 5 FEBDMO COCC[N@H+](C)CCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263815785 549941270 /nfs/dbraw/zinc/94/12/70/549941270.db2.gz OLMOZUMUICIZHC-UHFFFAOYSA-N 1 1 361.446 2.053 20 5 FEBDMO COCC[N@@H+](C)CCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263815785 549941273 /nfs/dbraw/zinc/94/12/73/549941273.db2.gz OLMOZUMUICIZHC-UHFFFAOYSA-N 1 1 361.446 2.053 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000268907557 550130275 /nfs/dbraw/zinc/13/02/75/550130275.db2.gz LSCNLTLPQBGXHE-LSDHHAIUSA-N 1 1 362.430 2.229 20 5 FEBDMO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000492273617 561450657 /nfs/dbraw/zinc/45/06/57/561450657.db2.gz LGQYSEOVXZYDBM-UHFFFAOYSA-N 1 1 373.457 2.498 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c2c(c1)COCO2 ZINC000268958864 550137492 /nfs/dbraw/zinc/13/74/92/550137492.db2.gz HTMHMOWFKATJCY-HUUCEWRRSA-N 1 1 352.412 2.168 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c2c(c1)COCO2 ZINC000268958864 550137494 /nfs/dbraw/zinc/13/74/94/550137494.db2.gz HTMHMOWFKATJCY-HUUCEWRRSA-N 1 1 352.412 2.168 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269610822 550210433 /nfs/dbraw/zinc/21/04/33/550210433.db2.gz AYLVWDVGJMQUOX-ZIAGYGMSSA-N 1 1 367.413 2.304 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269610822 550210435 /nfs/dbraw/zinc/21/04/35/550210435.db2.gz AYLVWDVGJMQUOX-ZIAGYGMSSA-N 1 1 367.413 2.304 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCn1cc[nH+]c1C ZINC000270676172 550295928 /nfs/dbraw/zinc/29/59/28/550295928.db2.gz GUQHAKDRWWWPEU-UHFFFAOYSA-N 1 1 364.427 2.268 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCCO1 ZINC000270709808 550299280 /nfs/dbraw/zinc/29/92/80/550299280.db2.gz HTBPWPVXXBHOGQ-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO CC(C)(C(=O)NCCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270730820 550301450 /nfs/dbraw/zinc/30/14/50/550301450.db2.gz YKKGWLMJYDSPOO-KRWDZBQOSA-N 1 1 363.458 2.226 20 5 FEBDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)c2C1 ZINC000271046366 550335179 /nfs/dbraw/zinc/33/51/79/550335179.db2.gz OYJKWQGEJBEKMW-UHFFFAOYSA-N 1 1 370.409 2.367 20 5 FEBDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000271121867 550342509 /nfs/dbraw/zinc/34/25/09/550342509.db2.gz FKAZLPCHRYZMQU-DBWMJRBXSA-N 1 1 352.431 2.342 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000271132524 550343463 /nfs/dbraw/zinc/34/34/63/550343463.db2.gz QKQGVBWTROMUHS-AWEZNQCLSA-N 1 1 371.441 2.490 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@@H+]1C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271460020 550377044 /nfs/dbraw/zinc/37/70/44/550377044.db2.gz YOOVSGPHGNIMMF-NSHDSACASA-N 1 1 361.489 2.370 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271460020 550377045 /nfs/dbraw/zinc/37/70/45/550377045.db2.gz YOOVSGPHGNIMMF-NSHDSACASA-N 1 1 361.489 2.370 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@H]2C1 ZINC000272177248 550427531 /nfs/dbraw/zinc/42/75/31/550427531.db2.gz JNODGUPJOCATIK-KSSFIOAISA-N 1 1 358.442 2.361 20 5 FEBDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486009 550452623 /nfs/dbraw/zinc/45/26/23/550452623.db2.gz RMEKRDNZRBGWET-DZGCQCFKSA-N 1 1 355.398 2.085 20 5 FEBDMO CCC[NH+]1CCC(N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000272808664 550471701 /nfs/dbraw/zinc/47/17/01/550471701.db2.gz GLVSDXMNRWJDSI-UHFFFAOYSA-N 1 1 361.489 2.370 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000273105234 550485217 /nfs/dbraw/zinc/48/52/17/550485217.db2.gz MXDQBCULFCXTCA-QGZVFWFLSA-N 1 1 369.421 2.400 20 5 FEBDMO CS[C@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274847377 550559108 /nfs/dbraw/zinc/55/91/08/550559108.db2.gz AICDPGJTOPLUIS-NEPJUHHUSA-N 1 1 367.475 2.093 20 5 FEBDMO COC(=O)c1cc(NC(=O)N2CC[NH+](C3CC3)CC2)c(C)c([N+](=O)[O-])c1 ZINC000277217358 550644445 /nfs/dbraw/zinc/64/44/45/550644445.db2.gz MZHIHNFMLRHEOJ-UHFFFAOYSA-N 1 1 362.386 2.002 20 5 FEBDMO CC[N@@H+](CCO)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278171997 550756885 /nfs/dbraw/zinc/75/68/85/550756885.db2.gz ZADGZCRZJKRXLM-UHFFFAOYSA-N 1 1 353.422 2.138 20 5 FEBDMO CN(CCC[NH+]1CCN(C)CC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278443425 550786825 /nfs/dbraw/zinc/78/68/25/550786825.db2.gz QVNJPRGUNXSEEM-UHFFFAOYSA-N 1 1 361.368 2.082 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000278880276 550831917 /nfs/dbraw/zinc/83/19/17/550831917.db2.gz PBCTYXOXVVRLJR-HNNXBMFYSA-N 1 1 361.442 2.239 20 5 FEBDMO CC(=O)N1CCC[C@@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279617133 550908935 /nfs/dbraw/zinc/90/89/35/550908935.db2.gz AJOYDNSBBFRERQ-YJBOKZPZSA-N 1 1 371.441 2.266 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1(CCO)CCOCC1 ZINC000495445412 561488235 /nfs/dbraw/zinc/48/82/35/561488235.db2.gz UYBXBQDYNDLYIV-UHFFFAOYSA-N 1 1 365.430 2.095 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000279745551 550924277 /nfs/dbraw/zinc/92/42/77/550924277.db2.gz KXFZMTXXZCJJPD-PMUMKWKESA-N 1 1 366.414 2.251 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000279745551 550924279 /nfs/dbraw/zinc/92/42/79/550924279.db2.gz KXFZMTXXZCJJPD-PMUMKWKESA-N 1 1 366.414 2.251 20 5 FEBDMO COc1cc(C[N@H+](C)CCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000281723150 551135059 /nfs/dbraw/zinc/13/50/59/551135059.db2.gz ISIZGYZVAVJHBY-UHFFFAOYSA-N 1 1 352.309 2.359 20 5 FEBDMO COc1cc(C[N@@H+](C)CCCO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000281723150 551135060 /nfs/dbraw/zinc/13/50/60/551135060.db2.gz ISIZGYZVAVJHBY-UHFFFAOYSA-N 1 1 352.309 2.359 20 5 FEBDMO CC[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)[N@H+]1CCc2ccccc2C1 ZINC000498039407 561514403 /nfs/dbraw/zinc/51/44/03/561514403.db2.gz VIOFOZXUKGRAQN-QGZVFWFLSA-N 1 1 371.441 2.053 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000498555133 561528212 /nfs/dbraw/zinc/52/82/12/561528212.db2.gz OSKFNUBORPVNSX-KBPBESRZSA-N 1 1 357.414 2.335 20 5 FEBDMO CN1C[C@@H]2[C@@H](CCC[N@H+]2CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000284902634 551662892 /nfs/dbraw/zinc/66/28/92/551662892.db2.gz RXYRSKYAIICPRX-HZPDHXFCSA-N 1 1 370.409 2.345 20 5 FEBDMO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000285890587 551824305 /nfs/dbraw/zinc/82/43/05/551824305.db2.gz XLIZKKFYVYRQQU-OAHLLOKOSA-N 1 1 359.386 2.053 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287511197 552013779 /nfs/dbraw/zinc/01/37/79/552013779.db2.gz UMXXMXNGPPXOGN-LSDHHAIUSA-N 1 1 374.441 2.175 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287511197 552013781 /nfs/dbraw/zinc/01/37/81/552013781.db2.gz UMXXMXNGPPXOGN-LSDHHAIUSA-N 1 1 374.441 2.175 20 5 FEBDMO CCC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000500491951 561574896 /nfs/dbraw/zinc/57/48/96/561574896.db2.gz PKFLKYKSGKPKEL-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290249881 552448494 /nfs/dbraw/zinc/44/84/94/552448494.db2.gz BIFJHXIYIXKEIF-SNVBAGLBSA-N 1 1 356.810 2.032 20 5 FEBDMO C[N@@H+](C[C@@H](O)COc1cc(F)c(Br)cc1[N+](=O)[O-])C1CC1 ZINC000290794626 552539312 /nfs/dbraw/zinc/53/93/12/552539312.db2.gz OUEKQQGRYZPZQE-SECBINFHSA-N 1 1 363.183 2.330 20 5 FEBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000291526528 552634197 /nfs/dbraw/zinc/63/41/97/552634197.db2.gz MWOKJTWTVVVZQX-JTQLQIEISA-N 1 1 362.213 2.352 20 5 FEBDMO CNC(=O)[C@H](C)[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000291698364 552652402 /nfs/dbraw/zinc/65/24/02/552652402.db2.gz JVXIYWGQEWFJTO-ZDUSSCGKSA-N 1 1 373.409 2.407 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000292038457 552687233 /nfs/dbraw/zinc/68/72/33/552687233.db2.gz RDHBOXQJGYLOGQ-CYBMUJFWSA-N 1 1 351.403 2.023 20 5 FEBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000293534330 552833102 /nfs/dbraw/zinc/83/31/02/552833102.db2.gz XGDJGVIMCVVFTF-JTQLQIEISA-N 1 1 361.320 2.064 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293626342 552841557 /nfs/dbraw/zinc/84/15/57/552841557.db2.gz HICKLODCFSAQNY-UHFFFAOYSA-N 1 1 363.361 2.392 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295371634 552995612 /nfs/dbraw/zinc/99/56/12/552995612.db2.gz OULVJMXDIZEFPW-NSHDSACASA-N 1 1 362.386 2.368 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cccc(SC)c3[N+](=O)[O-])[C@H]2C1 ZINC000502519163 561620274 /nfs/dbraw/zinc/62/02/74/561620274.db2.gz MSBKKBGGZBOEBO-UONOGXRCSA-N 1 1 365.455 2.252 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000297811428 553341931 /nfs/dbraw/zinc/34/19/31/553341931.db2.gz INXXSAQXVMUNKF-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000297949849 553361435 /nfs/dbraw/zinc/36/14/35/553361435.db2.gz AWKFNMYRMOYXEB-HNNXBMFYSA-N 1 1 359.386 2.492 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000298502621 553433156 /nfs/dbraw/zinc/43/31/56/553433156.db2.gz ZMUCTCHAETVNJN-GFCCVEGCSA-N 1 1 363.414 2.216 20 5 FEBDMO CC[C@]1(CO)CCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000298602509 553447410 /nfs/dbraw/zinc/44/74/10/553447410.db2.gz SKQUCDVMAXCSMT-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO O=C(CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)N1CCCCCC1 ZINC000298722849 553464083 /nfs/dbraw/zinc/46/40/83/553464083.db2.gz PLMVMDVLVRKWGZ-UHFFFAOYSA-N 1 1 374.485 2.158 20 5 FEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000298739381 553466407 /nfs/dbraw/zinc/46/64/07/553466407.db2.gz RVEFIGZDGLJLCX-SECBINFHSA-N 1 1 360.313 2.200 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000298739381 553466408 /nfs/dbraw/zinc/46/64/08/553466408.db2.gz RVEFIGZDGLJLCX-SECBINFHSA-N 1 1 360.313 2.200 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000299234328 553534562 /nfs/dbraw/zinc/53/45/62/553534562.db2.gz JPHYNYDOIZRTIN-SWLSCSKDSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCC(CO)CC1 ZINC000299730808 553608842 /nfs/dbraw/zinc/60/88/42/553608842.db2.gz WXEHDDBIHRXOIZ-UHFFFAOYSA-N 1 1 365.430 2.415 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000301351986 553644558 /nfs/dbraw/zinc/64/45/58/553644558.db2.gz MXHYDJALZGGYCR-AWEZNQCLSA-N 1 1 366.437 2.349 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523674 553658014 /nfs/dbraw/zinc/65/80/14/553658014.db2.gz GUFHHHZKJGIMTA-UKRRQHHQSA-N 1 1 371.441 2.336 20 5 FEBDMO COCC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000301567866 553662127 /nfs/dbraw/zinc/66/21/27/553662127.db2.gz WANKNSPKZVXWSU-JTQLQIEISA-N 1 1 359.224 2.275 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000301567866 553662128 /nfs/dbraw/zinc/66/21/28/553662128.db2.gz WANKNSPKZVXWSU-JTQLQIEISA-N 1 1 359.224 2.275 20 5 FEBDMO Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301767360 553678014 /nfs/dbraw/zinc/67/80/14/553678014.db2.gz ODKNCWQWSHSKSL-CJNGLKHVSA-N 1 1 357.414 2.491 20 5 FEBDMO Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301767360 553678017 /nfs/dbraw/zinc/67/80/17/553678017.db2.gz ODKNCWQWSHSKSL-CJNGLKHVSA-N 1 1 357.414 2.491 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302602306 553722740 /nfs/dbraw/zinc/72/27/40/553722740.db2.gz CKFLDVQUIQTAQZ-ZDUSSCGKSA-N 1 1 355.460 2.309 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+](C)Cc2cnc(N(C)C)nc2)cccc1[N+](=O)[O-] ZINC000506031880 561687949 /nfs/dbraw/zinc/68/79/49/561687949.db2.gz NVXQCNWMZMUMLM-UHFFFAOYSA-N 1 1 372.429 2.220 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000506149112 561691911 /nfs/dbraw/zinc/69/19/11/561691911.db2.gz WHQKGKUBZINTOI-UHFFFAOYSA-N 1 1 371.441 2.391 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000507552106 561732844 /nfs/dbraw/zinc/73/28/44/561732844.db2.gz PDISHXOADPHHGN-HNNXBMFYSA-N 1 1 363.458 2.490 20 5 FEBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000331507963 554276677 /nfs/dbraw/zinc/27/66/77/554276677.db2.gz BCFLTORZSMSAGR-BRWVUGGUSA-N 1 1 363.414 2.192 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000332030021 554366794 /nfs/dbraw/zinc/36/67/94/554366794.db2.gz XASAJNMREQKBHM-UHFFFAOYSA-N 1 1 363.414 2.218 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000332197838 554399533 /nfs/dbraw/zinc/39/95/33/554399533.db2.gz DZHVPOUFNNPTIW-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000332422462 554443804 /nfs/dbraw/zinc/44/38/04/554443804.db2.gz ABFRNNDWDJAUTO-PBHICJAKSA-N 1 1 367.471 2.026 20 5 FEBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000332422462 554443806 /nfs/dbraw/zinc/44/38/06/554443806.db2.gz ABFRNNDWDJAUTO-PBHICJAKSA-N 1 1 367.471 2.026 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000332562098 554472000 /nfs/dbraw/zinc/47/20/00/554472000.db2.gz XEQUJCZWTKNXAR-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572362 554474269 /nfs/dbraw/zinc/47/42/69/554474269.db2.gz DTNWCQWBJCPCIM-GJZGRUSLSA-N 1 1 367.471 2.459 20 5 FEBDMO CCc1cc(NCC[N@@H+]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511431610 561869076 /nfs/dbraw/zinc/86/90/76/561869076.db2.gz SSTRTOQFULVDGP-CQSZACIVSA-N 1 1 371.441 2.169 20 5 FEBDMO CCc1cc(NCC[N@H+]2CCOC[C@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000511431610 561869077 /nfs/dbraw/zinc/86/90/77/561869077.db2.gz SSTRTOQFULVDGP-CQSZACIVSA-N 1 1 371.441 2.169 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000361110196 554905027 /nfs/dbraw/zinc/90/50/27/554905027.db2.gz VOVHROHWXDRCTD-NHYWBVRUSA-N 1 1 352.822 2.213 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000362076557 554948195 /nfs/dbraw/zinc/94/81/95/554948195.db2.gz HDQFUXSBBQVXOB-KGLIPLIRSA-N 1 1 355.398 2.137 20 5 FEBDMO Cc1ccc(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000362813972 554990434 /nfs/dbraw/zinc/99/04/34/554990434.db2.gz ZRBTYBYCNQGMGC-HZPDHXFCSA-N 1 1 362.430 2.356 20 5 FEBDMO Cc1ccc(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000362813970 554990626 /nfs/dbraw/zinc/99/06/26/554990626.db2.gz ZRBTYBYCNQGMGC-CVEARBPZSA-N 1 1 362.430 2.356 20 5 FEBDMO CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000362859940 554993675 /nfs/dbraw/zinc/99/36/75/554993675.db2.gz IVIZFFZWARVORY-INIZCTEOSA-N 1 1 363.462 2.331 20 5 FEBDMO COc1ccccc1C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362901197 554997201 /nfs/dbraw/zinc/99/72/01/554997201.db2.gz JEMHPXZOVVLOSW-MAUKXSAKSA-N 1 1 374.441 2.116 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000363095583 555029025 /nfs/dbraw/zinc/02/90/25/555029025.db2.gz KPHVUIFATZATJO-CQSZACIVSA-N 1 1 357.414 2.455 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000363095583 555029029 /nfs/dbraw/zinc/02/90/29/555029029.db2.gz KPHVUIFATZATJO-CQSZACIVSA-N 1 1 357.414 2.455 20 5 FEBDMO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363118323 555033843 /nfs/dbraw/zinc/03/38/43/555033843.db2.gz WKSIVGKUUODFLQ-NVBFEUDRSA-N 1 1 351.353 2.429 20 5 FEBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000363228280 555058729 /nfs/dbraw/zinc/05/87/29/555058729.db2.gz QUHLNCADSHEXNG-CQSZACIVSA-N 1 1 360.418 2.193 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363258705 555065698 /nfs/dbraw/zinc/06/56/98/555065698.db2.gz IHVFWLAQKSLEAV-DLTWYDFYSA-N 1 1 358.442 2.338 20 5 FEBDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC3 ZINC000363289165 555071635 /nfs/dbraw/zinc/07/16/35/555071635.db2.gz SLAVPHRVBVQJNR-CQSZACIVSA-N 1 1 355.398 2.000 20 5 FEBDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC3 ZINC000363289165 555071636 /nfs/dbraw/zinc/07/16/36/555071636.db2.gz SLAVPHRVBVQJNR-CQSZACIVSA-N 1 1 355.398 2.000 20 5 FEBDMO CCOC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363443161 555106886 /nfs/dbraw/zinc/10/68/86/555106886.db2.gz YIZZAQAEXJCDSY-UHFFFAOYSA-N 1 1 364.402 2.088 20 5 FEBDMO C[C@@H](C(=O)N1CC[NH+]([C@H]2CCSC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000363796320 555188281 /nfs/dbraw/zinc/18/82/81/555188281.db2.gz BDLKHRROBQJPKO-OCCSQVGLSA-N 1 1 367.446 2.487 20 5 FEBDMO C[C@H](NC(=O)COc1ccc([N+](=O)[O-])c2cccnc12)C1=CC[N@@H+](C)CC1 ZINC000512142835 561893882 /nfs/dbraw/zinc/89/38/82/561893882.db2.gz OEXFLUOOVNGJON-ZDUSSCGKSA-N 1 1 370.409 2.288 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000364197605 555267767 /nfs/dbraw/zinc/26/77/67/555267767.db2.gz WDBYXVNHKWKGJQ-CQSZACIVSA-N 1 1 364.352 2.220 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC=C(c3c(F)cccc3F)CC2)c1 ZINC000364197605 555267769 /nfs/dbraw/zinc/26/77/69/555267769.db2.gz WDBYXVNHKWKGJQ-CQSZACIVSA-N 1 1 364.352 2.220 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364245658 555277586 /nfs/dbraw/zinc/27/75/86/555277586.db2.gz OVKGLCQCASZRCA-CQSZACIVSA-N 1 1 363.414 2.193 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364245658 555277587 /nfs/dbraw/zinc/27/75/87/555277587.db2.gz OVKGLCQCASZRCA-CQSZACIVSA-N 1 1 363.414 2.193 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427811 555312153 /nfs/dbraw/zinc/31/21/53/555312153.db2.gz SAVGPPMHWONYPW-INWMFGNUSA-N 1 1 365.405 2.353 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000364434990 555313548 /nfs/dbraw/zinc/31/35/48/555313548.db2.gz PTODTCUODAFMTD-IBGZPJMESA-N 1 1 366.377 2.129 20 5 FEBDMO O=C(C[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000364434990 555313551 /nfs/dbraw/zinc/31/35/51/555313551.db2.gz PTODTCUODAFMTD-IBGZPJMESA-N 1 1 366.377 2.129 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000364553743 555336321 /nfs/dbraw/zinc/33/63/21/555336321.db2.gz GCAITCWVKDEEDA-KSSFIOAISA-N 1 1 370.409 2.421 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364554070 555337057 /nfs/dbraw/zinc/33/70/57/555337057.db2.gz HIPCSBJYSQOBRJ-YOEHRIQHSA-N 1 1 355.398 2.116 20 5 FEBDMO C[C@H](CO)[N@H+]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000364952477 555448931 /nfs/dbraw/zinc/44/89/31/555448931.db2.gz CQANFWHRDIOICE-LLVKDONJSA-N 1 1 358.236 2.250 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512806453 561916119 /nfs/dbraw/zinc/91/61/19/561916119.db2.gz WCHZPEJJKFYCIY-NSHDSACASA-N 1 1 373.356 2.493 20 5 FEBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c1 ZINC000365006041 555462357 /nfs/dbraw/zinc/46/23/57/555462357.db2.gz DVCBLFWXQBSTRV-UHFFFAOYSA-N 1 1 367.321 2.465 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365221790 555515055 /nfs/dbraw/zinc/51/50/55/555515055.db2.gz HRYCYTXTZIRVLG-VXGBXAGGSA-N 1 1 356.382 2.205 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000365449190 555579111 /nfs/dbraw/zinc/57/91/11/555579111.db2.gz XWEHDGQXKCSMSO-RZFZLAGVSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000365449190 555579114 /nfs/dbraw/zinc/57/91/14/555579114.db2.gz XWEHDGQXKCSMSO-RZFZLAGVSA-N 1 1 353.444 2.075 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000365776821 555665481 /nfs/dbraw/zinc/66/54/81/555665481.db2.gz DGCAQHISYMWSSM-ZFWWWQNUSA-N 1 1 360.345 2.010 20 5 FEBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366074745 555743800 /nfs/dbraw/zinc/74/38/00/555743800.db2.gz UGBNMYONQFYFOX-CRAIPNDOSA-N 1 1 360.414 2.214 20 5 FEBDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366074746 555743853 /nfs/dbraw/zinc/74/38/53/555743853.db2.gz UGBNMYONQFYFOX-MAUKXSAKSA-N 1 1 360.414 2.214 20 5 FEBDMO NC(=O)c1cc(OC2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)ccn1 ZINC000366996733 555993304 /nfs/dbraw/zinc/99/33/04/555993304.db2.gz OSWOVYNYFRDUSX-UHFFFAOYSA-N 1 1 374.372 2.271 20 5 FEBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000367460841 556056436 /nfs/dbraw/zinc/05/64/36/556056436.db2.gz KMABUHPYFRDGQD-HNNXBMFYSA-N 1 1 362.474 2.346 20 5 FEBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000367460841 556056437 /nfs/dbraw/zinc/05/64/37/556056437.db2.gz KMABUHPYFRDGQD-HNNXBMFYSA-N 1 1 362.474 2.346 20 5 FEBDMO O=C([C@H]1CCCc2[nH+]ccn21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000368121684 556224064 /nfs/dbraw/zinc/22/40/64/556224064.db2.gz DQCUKJXDWOCXCO-MRXNPFEDSA-N 1 1 355.398 2.018 20 5 FEBDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000368368997 556289768 /nfs/dbraw/zinc/28/97/68/556289768.db2.gz GJPYICXUZZMAAF-CJNGLKHVSA-N 1 1 370.409 2.397 20 5 FEBDMO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000515216822 562001350 /nfs/dbraw/zinc/00/13/50/562001350.db2.gz PMPBCRTVMBUXRQ-UONOGXRCSA-N 1 1 355.460 2.277 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)C[C@H]21 ZINC000368594799 556356989 /nfs/dbraw/zinc/35/69/89/556356989.db2.gz XLTBHYVPQMSGHP-MEDUHNTESA-N 1 1 356.382 2.015 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000368615162 556363804 /nfs/dbraw/zinc/36/38/04/556363804.db2.gz RUXGASYMAHIHRE-YESZJQIVSA-N 1 1 364.442 2.473 20 5 FEBDMO CCCN1CC[NH+](C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000369157463 556519924 /nfs/dbraw/zinc/51/99/24/556519924.db2.gz NNOWPGUFFBNNNI-UHFFFAOYSA-N 1 1 360.458 2.227 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCCC[C@H]2Cn2ccnn2)c2c(c1)COCO2 ZINC000369276370 556561153 /nfs/dbraw/zinc/56/11/53/556561153.db2.gz AMQBKVUSDQIDKQ-HNNXBMFYSA-N 1 1 359.386 2.108 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCCC[C@H]2Cn2ccnn2)c2c(c1)COCO2 ZINC000369276370 556561155 /nfs/dbraw/zinc/56/11/55/556561155.db2.gz AMQBKVUSDQIDKQ-HNNXBMFYSA-N 1 1 359.386 2.108 20 5 FEBDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000369355669 556578450 /nfs/dbraw/zinc/57/84/50/556578450.db2.gz YHSCFIAVIBZIQP-CYBMUJFWSA-N 1 1 359.386 2.493 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000516335971 562040243 /nfs/dbraw/zinc/04/02/43/562040243.db2.gz OXDBRFQZURUKPN-SNVBAGLBSA-N 1 1 359.835 2.072 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000516335971 562040244 /nfs/dbraw/zinc/04/02/44/562040244.db2.gz OXDBRFQZURUKPN-SNVBAGLBSA-N 1 1 359.835 2.072 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[C@@H](C)C1 ZINC000516341256 562040309 /nfs/dbraw/zinc/04/03/09/562040309.db2.gz QBFHTRBJNPDATC-OKILXGFUSA-N 1 1 357.414 2.335 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721389 556678024 /nfs/dbraw/zinc/67/80/24/556678024.db2.gz DQPXCONIIGYFBU-BMFZPTHFSA-N 1 1 373.457 2.450 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000370339451 556843776 /nfs/dbraw/zinc/84/37/76/556843776.db2.gz OUTNHFARMGNYFP-YHWZYXNKSA-N 1 1 371.434 2.193 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@H](CO)C[NH+]2CCCCC2)c(Br)c1 ZINC000516892356 562062983 /nfs/dbraw/zinc/06/29/83/562062983.db2.gz HTCWGQAQDXTCCH-JTQLQIEISA-N 1 1 359.224 2.011 20 5 FEBDMO Cc1sc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830757 556982575 /nfs/dbraw/zinc/98/25/75/556982575.db2.gz OZVCQDKXZKRGPB-CQSZACIVSA-N 1 1 366.487 2.205 20 5 FEBDMO Cc1sc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830757 556982576 /nfs/dbraw/zinc/98/25/76/556982576.db2.gz OZVCQDKXZKRGPB-CQSZACIVSA-N 1 1 366.487 2.205 20 5 FEBDMO CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000370876660 556999023 /nfs/dbraw/zinc/99/90/23/556999023.db2.gz NVDLUIDICRSUQR-GFCCVEGCSA-N 1 1 359.386 2.493 20 5 FEBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000370927438 557019264 /nfs/dbraw/zinc/01/92/64/557019264.db2.gz IHZULUYRBLUJQJ-QAPCUYQASA-N 1 1 371.441 2.450 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000371233244 557114649 /nfs/dbraw/zinc/11/46/49/557114649.db2.gz XKRSIZZAADFRPM-UONOGXRCSA-N 1 1 363.414 2.290 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000517393092 562088560 /nfs/dbraw/zinc/08/85/60/562088560.db2.gz HUJQZFOBHWWGFY-LBPRGKRZSA-N 1 1 371.235 2.109 20 5 FEBDMO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000518017101 562102658 /nfs/dbraw/zinc/10/26/58/562102658.db2.gz WEWFZVPMNZHCQG-AWEZNQCLSA-N 1 1 362.430 2.420 20 5 FEBDMO C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000371784760 557292342 /nfs/dbraw/zinc/29/23/42/557292342.db2.gz VBELZKPCNYBEQG-CFVMTHIKSA-N 1 1 365.405 2.207 20 5 FEBDMO C[C@H](C(=O)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000371784760 557292344 /nfs/dbraw/zinc/29/23/44/557292344.db2.gz VBELZKPCNYBEQG-CFVMTHIKSA-N 1 1 365.405 2.207 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000518609816 562115093 /nfs/dbraw/zinc/11/50/93/562115093.db2.gz OBBIZSQRYWZGRQ-OKILXGFUSA-N 1 1 357.414 2.335 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000372158194 557395127 /nfs/dbraw/zinc/39/51/27/557395127.db2.gz UAJZGXPARYXXKK-UONOGXRCSA-N 1 1 363.414 2.290 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccnc3)C2)c1 ZINC000372271239 557427030 /nfs/dbraw/zinc/42/70/30/557427030.db2.gz AZJKOAANZMEYDD-HNNXBMFYSA-N 1 1 353.386 2.414 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000372296551 557432320 /nfs/dbraw/zinc/43/23/20/557432320.db2.gz RJZZALRXNCJYBN-AEFFLSMTSA-N 1 1 350.415 2.226 20 5 FEBDMO O=C1OCC[C@@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]12 ZINC000372353128 557448131 /nfs/dbraw/zinc/44/81/31/557448131.db2.gz CKLNIVCVBVBKLU-SJCJKPOMSA-N 1 1 357.366 2.430 20 5 FEBDMO O=C1OCC[C@@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]12 ZINC000372353128 557448132 /nfs/dbraw/zinc/44/81/32/557448132.db2.gz CKLNIVCVBVBKLU-SJCJKPOMSA-N 1 1 357.366 2.430 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000372591023 557514362 /nfs/dbraw/zinc/51/43/62/557514362.db2.gz RSDHRZMJHFGHAM-KRWDZBQOSA-N 1 1 371.441 2.304 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000372900357 557585126 /nfs/dbraw/zinc/58/51/26/557585126.db2.gz CNPGABJZHOIBEK-UHFFFAOYSA-N 1 1 350.419 2.214 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000520224272 562151170 /nfs/dbraw/zinc/15/11/70/562151170.db2.gz XNHBVWRMBZABNQ-DVOMOZLQSA-N 1 1 365.405 2.448 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000520224272 562151171 /nfs/dbraw/zinc/15/11/71/562151171.db2.gz XNHBVWRMBZABNQ-DVOMOZLQSA-N 1 1 365.405 2.448 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000374039306 557812299 /nfs/dbraw/zinc/81/22/99/557812299.db2.gz QRIYWZSSWJXMCV-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000374039306 557812302 /nfs/dbraw/zinc/81/23/02/557812302.db2.gz QRIYWZSSWJXMCV-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1 ZINC000374258869 557853193 /nfs/dbraw/zinc/85/31/93/557853193.db2.gz MUTFUIVSCKKUPE-MRXNPFEDSA-N 1 1 362.474 2.074 20 5 FEBDMO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1C1CCN(C)CC1 ZINC000374258869 557853194 /nfs/dbraw/zinc/85/31/94/557853194.db2.gz MUTFUIVSCKKUPE-MRXNPFEDSA-N 1 1 362.474 2.074 20 5 FEBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000374319344 557865032 /nfs/dbraw/zinc/86/50/32/557865032.db2.gz XQBGOMLWAGOAKR-JKSUJKDBSA-N 1 1 355.394 2.188 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000374368429 557873081 /nfs/dbraw/zinc/87/30/81/557873081.db2.gz TUQFRPOQHPGVDB-WBVHZDCISA-N 1 1 350.415 2.083 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@H]3C2)cc1OC ZINC000375017028 557964879 /nfs/dbraw/zinc/96/48/79/557964879.db2.gz GFHODUGVZIGKEZ-WFASDCNBSA-N 1 1 363.414 2.168 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@@H]21 ZINC000375062043 557972329 /nfs/dbraw/zinc/97/23/29/557972329.db2.gz RVZFWQPKNNNBOI-KXBFYZLASA-N 1 1 372.469 2.364 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000375106860 557978789 /nfs/dbraw/zinc/97/87/89/557978789.db2.gz VOPZCROTAZCRLW-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375393632 558019903 /nfs/dbraw/zinc/01/99/03/558019903.db2.gz RGYISRAMHFPSEP-AEFFLSMTSA-N 1 1 374.441 2.485 20 5 FEBDMO NC(=O)[C@@]1(O)CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000375531296 558043950 /nfs/dbraw/zinc/04/39/50/558043950.db2.gz CLMQCIMUFRWLNP-QGZVFWFLSA-N 1 1 361.423 2.136 20 5 FEBDMO CC(C)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000375533101 558044464 /nfs/dbraw/zinc/04/44/64/558044464.db2.gz BWNWADOEHJKFBM-AEFFLSMTSA-N 1 1 361.442 2.389 20 5 FEBDMO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000375967802 558106837 /nfs/dbraw/zinc/10/68/37/558106837.db2.gz GCKKTGPWHVPQOA-INIZCTEOSA-N 1 1 351.366 2.088 20 5 FEBDMO Cn1cc(-c2ncc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])cn2)cn1 ZINC000377670541 558392478 /nfs/dbraw/zinc/39/24/78/558392478.db2.gz FPSNIWJLJFOYEK-UHFFFAOYSA-N 1 1 352.398 2.460 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000522474227 562199080 /nfs/dbraw/zinc/19/90/80/562199080.db2.gz LELXTAJSBUMFQP-OLZOCXBDSA-N 1 1 351.451 2.035 20 5 FEBDMO Cn1cc([C@@H]2[C@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCC[N@H+]2C)cn1 ZINC000377693829 558399353 /nfs/dbraw/zinc/39/93/53/558399353.db2.gz CKWOITGVHFYSAO-GTNSWQLSSA-N 1 1 371.401 2.360 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000377760045 558413954 /nfs/dbraw/zinc/41/39/54/558413954.db2.gz INGSVZKCBBMUJX-ROUUACIJSA-N 1 1 355.442 2.245 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000378002101 558460748 /nfs/dbraw/zinc/46/07/48/558460748.db2.gz QFJBPUJLRSUVGM-CQSZACIVSA-N 1 1 363.414 2.363 20 5 FEBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)C[C@H](C)O1 ZINC000523098776 562208291 /nfs/dbraw/zinc/20/82/91/562208291.db2.gz AMBUAFHXIVBJOC-KBPBESRZSA-N 1 1 373.413 2.039 20 5 FEBDMO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000378246704 558511087 /nfs/dbraw/zinc/51/10/87/558511087.db2.gz ICTHVZGOWKPJDL-ZWKOTPCHSA-N 1 1 359.430 2.391 20 5 FEBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378435633 558556322 /nfs/dbraw/zinc/55/63/22/558556322.db2.gz UVVUMPQSTXOTAA-SFHVURJKSA-N 1 1 362.474 2.074 20 5 FEBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378435633 558556323 /nfs/dbraw/zinc/55/63/23/558556323.db2.gz UVVUMPQSTXOTAA-SFHVURJKSA-N 1 1 362.474 2.074 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](n3cc4ccccc4n3)C2)c([N+](=O)[O-])c1 ZINC000378570882 558585973 /nfs/dbraw/zinc/58/59/73/558585973.db2.gz TZOBTFNOIYOKGP-MRXNPFEDSA-N 1 1 365.393 2.490 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000408239626 558659628 /nfs/dbraw/zinc/65/96/28/558659628.db2.gz ZTOCLZOAYMCPFZ-UONOGXRCSA-N 1 1 353.444 2.151 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000524871857 562236507 /nfs/dbraw/zinc/23/65/07/562236507.db2.gz MQJKAPPVFMKFMI-JSGCOSHPSA-N 1 1 355.460 2.397 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000411132426 558842491 /nfs/dbraw/zinc/84/24/91/558842491.db2.gz JYXAQRUYBPOTKD-UONOGXRCSA-N 1 1 362.430 2.221 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000411413015 558890386 /nfs/dbraw/zinc/89/03/86/558890386.db2.gz YDRAWSSIDCFVPI-UONOGXRCSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000411413015 558890388 /nfs/dbraw/zinc/89/03/88/558890388.db2.gz YDRAWSSIDCFVPI-UONOGXRCSA-N 1 1 362.430 2.091 20 5 FEBDMO COC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411803127 558966459 /nfs/dbraw/zinc/96/64/59/558966459.db2.gz FAWUKAGRNKODOW-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000412105121 559014259 /nfs/dbraw/zinc/01/42/59/559014259.db2.gz OPUFIDXXAOWGED-QGZVFWFLSA-N 1 1 352.387 2.257 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1F ZINC000412169205 559018050 /nfs/dbraw/zinc/01/80/50/559018050.db2.gz IATVDDRDXQVMBS-GHMZBOCLSA-N 1 1 351.378 2.026 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412270691 559023768 /nfs/dbraw/zinc/02/37/68/559023768.db2.gz PDBQFWVKPAXDAO-XOKHGSTOSA-N 1 1 361.442 2.002 20 5 FEBDMO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@H+]1CC(C)(C)O ZINC000413245260 559091443 /nfs/dbraw/zinc/09/14/43/559091443.db2.gz JGOHVMXGKCHWPB-JTQLQIEISA-N 1 1 362.352 2.290 20 5 FEBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[N@@H+](C)C1 ZINC000413497338 559112319 /nfs/dbraw/zinc/11/23/19/559112319.db2.gz LLDPSMKVBBHJDU-OAHLLOKOSA-N 1 1 370.409 2.198 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000527010526 562273291 /nfs/dbraw/zinc/27/32/91/562273291.db2.gz WKPBPGGJJCWWHN-UHFFFAOYSA-N 1 1 358.354 2.306 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409007 559310787 /nfs/dbraw/zinc/31/07/87/559310787.db2.gz TVJMLSKDQGJGHW-KBPBESRZSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)[nH+]1 ZINC000416420874 559311752 /nfs/dbraw/zinc/31/17/52/559311752.db2.gz YEVAJONEJCSJQX-UHFFFAOYSA-N 1 1 364.427 2.305 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421006719 559519216 /nfs/dbraw/zinc/51/92/16/559519216.db2.gz BPIWESHZQZHISL-KBPBESRZSA-N 1 1 365.430 2.415 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421015091 559519545 /nfs/dbraw/zinc/51/95/45/559519545.db2.gz LAFDMKZFCTXCQV-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421015091 559519546 /nfs/dbraw/zinc/51/95/46/559519546.db2.gz LAFDMKZFCTXCQV-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO CNS(=O)(=O)[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000527304257 562284713 /nfs/dbraw/zinc/28/47/13/562284713.db2.gz LFMKITRLQSNOBM-RCBBPTIPSA-N 1 1 353.444 2.012 20 5 FEBDMO CNS(=O)(=O)[C@@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000527304257 562284714 /nfs/dbraw/zinc/28/47/14/562284714.db2.gz LFMKITRLQSNOBM-RCBBPTIPSA-N 1 1 353.444 2.012 20 5 FEBDMO [NH3+]C[C@H](CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303969 559661009 /nfs/dbraw/zinc/66/10/09/559661009.db2.gz QCLKQBQGZGVCGG-ZBFHGGJFSA-N 1 1 359.405 2.358 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000425286680 559694759 /nfs/dbraw/zinc/69/47/59/559694759.db2.gz QSAWPJROXJJSMH-WMLDXEAASA-N 1 1 369.425 2.090 20 5 FEBDMO CN1C(=O)NCC12CC[NH+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000425547876 559709143 /nfs/dbraw/zinc/70/91/43/559709143.db2.gz WCSPQZBKSFPMAJ-UHFFFAOYSA-N 1 1 371.397 2.239 20 5 FEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018051 559788722 /nfs/dbraw/zinc/78/87/22/559788722.db2.gz HJLRYJNQJDXQBA-IIDMSEBBSA-N 1 1 372.469 2.146 20 5 FEBDMO C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+](C2CCC2)C1 ZINC000429389408 559797531 /nfs/dbraw/zinc/79/75/31/559797531.db2.gz YFDFVIQUQBKWMM-OAHLLOKOSA-N 1 1 372.469 2.290 20 5 FEBDMO Cc1ccn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)c1[N+](=O)[O-] ZINC000430146972 559814161 /nfs/dbraw/zinc/81/41/61/559814161.db2.gz KIIXCNPFVGHGPE-KRWDZBQOSA-N 1 1 357.410 2.356 20 5 FEBDMO COc1c(C)c[nH+]c(Cn2cnc(NCc3ccc([N+](=O)[O-])cc3)n2)c1C ZINC000432728912 559863590 /nfs/dbraw/zinc/86/35/90/559863590.db2.gz FEALFAWZQRBLDU-UHFFFAOYSA-N 1 1 368.397 2.867 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000432866120 559866552 /nfs/dbraw/zinc/86/65/52/559866552.db2.gz NIHYZTJUFKHVPV-ZDUSSCGKSA-N 1 1 351.403 2.294 20 5 FEBDMO O=C(C[N@@H+](CCO)[C@H]1CCCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433210330 559873943 /nfs/dbraw/zinc/87/39/43/559873943.db2.gz VOVPKVWTCHOYCB-LBPRGKRZSA-N 1 1 373.862 2.377 20 5 FEBDMO O=C(C[N@H+](CCO)[C@H]1CCCSC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000433210330 559873944 /nfs/dbraw/zinc/87/39/44/559873944.db2.gz VOVPKVWTCHOYCB-LBPRGKRZSA-N 1 1 373.862 2.377 20 5 FEBDMO C[C@H](CN1CCOCC1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000435060595 559915424 /nfs/dbraw/zinc/91/54/24/559915424.db2.gz ZMCRASUOBZNKDF-GFCCVEGCSA-N 1 1 359.373 2.349 20 5 FEBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000435060595 559915425 /nfs/dbraw/zinc/91/54/25/559915425.db2.gz ZMCRASUOBZNKDF-GFCCVEGCSA-N 1 1 359.373 2.349 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000435432754 559922847 /nfs/dbraw/zinc/92/28/47/559922847.db2.gz KJFNCFBIYPRKOT-CQSZACIVSA-N 1 1 355.460 2.308 20 5 FEBDMO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)n1cc([N+](=O)[O-])cn1 ZINC000437879861 559970961 /nfs/dbraw/zinc/97/09/61/559970961.db2.gz VMPSTTZJVZVBMZ-OAHLLOKOSA-N 1 1 363.462 2.440 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000438946303 559985988 /nfs/dbraw/zinc/98/59/88/559985988.db2.gz HLBBKMJMDNSPKY-LBPRGKRZSA-N 1 1 361.489 2.445 20 5 FEBDMO CCOc1ccccc1C[N@@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000441383061 560030562 /nfs/dbraw/zinc/03/05/62/560030562.db2.gz SEPNZTIVOMBBHN-MRXNPFEDSA-N 1 1 373.457 2.396 20 5 FEBDMO CCOc1ccccc1C[N@H+]1CCN(CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000441383061 560030563 /nfs/dbraw/zinc/03/05/63/560030563.db2.gz SEPNZTIVOMBBHN-MRXNPFEDSA-N 1 1 373.457 2.396 20 5 FEBDMO CCOc1ccccc1CN1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000441383061 560030564 /nfs/dbraw/zinc/03/05/64/560030564.db2.gz SEPNZTIVOMBBHN-MRXNPFEDSA-N 1 1 373.457 2.396 20 5 FEBDMO CCOc1ccccc1CN1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1 ZINC000441383061 560030565 /nfs/dbraw/zinc/03/05/65/560030565.db2.gz SEPNZTIVOMBBHN-MRXNPFEDSA-N 1 1 373.457 2.396 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443328633 560080148 /nfs/dbraw/zinc/08/01/48/560080148.db2.gz QNCYITVQHLTZBF-YWPYICTPSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443328633 560080149 /nfs/dbraw/zinc/08/01/49/560080149.db2.gz QNCYITVQHLTZBF-YWPYICTPSA-N 1 1 351.403 2.023 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448826238 560201021 /nfs/dbraw/zinc/20/10/21/560201021.db2.gz ZCDKDUHKKQLZDR-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC1CC[NH+](CCN(C)C)CC1 ZINC000450252528 560255759 /nfs/dbraw/zinc/25/57/59/560255759.db2.gz ZDFIVVGEJWQJIY-UHFFFAOYSA-N 1 1 373.457 2.011 20 5 FEBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450316855 560258249 /nfs/dbraw/zinc/25/82/49/560258249.db2.gz ICRRARPMOMEODB-CYBMUJFWSA-N 1 1 361.471 2.766 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000450316004 560258320 /nfs/dbraw/zinc/25/83/20/560258320.db2.gz YCTQAGSDVTXIQV-QWHCGFSZSA-N 1 1 360.414 2.095 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000450518739 560264783 /nfs/dbraw/zinc/26/47/83/560264783.db2.gz QWJZSUOUBBYPOI-JSGCOSHPSA-N 1 1 360.414 2.307 20 5 FEBDMO CCOC(=O)c1cc(NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000450602019 560267615 /nfs/dbraw/zinc/26/76/15/560267615.db2.gz ZLZYLNRAHXWFCT-AWEZNQCLSA-N 1 1 351.403 2.030 20 5 FEBDMO Cc1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450798933 560273698 /nfs/dbraw/zinc/27/36/98/560273698.db2.gz ZSMWVKAUPZZONH-GASCZTMLSA-N 1 1 371.441 2.252 20 5 FEBDMO C[C@@]12C[N@@H+](CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451357497 560302492 /nfs/dbraw/zinc/30/24/92/560302492.db2.gz AOKBEFMYVILEKN-UXVJVKIESA-N 1 1 371.393 2.406 20 5 FEBDMO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542908 560313478 /nfs/dbraw/zinc/31/34/78/560313478.db2.gz ATRCUXDZRRRBOO-GXTWGEPZSA-N 1 1 371.445 2.369 20 5 FEBDMO C[C@@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451542908 560313479 /nfs/dbraw/zinc/31/34/79/560313479.db2.gz ATRCUXDZRRRBOO-GXTWGEPZSA-N 1 1 371.445 2.369 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451558282 560314512 /nfs/dbraw/zinc/31/45/12/560314512.db2.gz FTSWKENTORRKCG-SWLSCSKDSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571841 560315504 /nfs/dbraw/zinc/31/55/04/560315504.db2.gz QFSXCHYUAOTZNV-WBMJQRKESA-N 1 1 351.403 2.289 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571841 560315505 /nfs/dbraw/zinc/31/55/05/560315505.db2.gz QFSXCHYUAOTZNV-WBMJQRKESA-N 1 1 351.403 2.289 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451691012 560322265 /nfs/dbraw/zinc/32/22/65/560322265.db2.gz BCXXHBPCWHAJGF-IDCJVQTKSA-N 1 1 359.426 2.183 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451902928 560335953 /nfs/dbraw/zinc/33/59/53/560335953.db2.gz IOECPUIPBIQTDV-IINYFYTJSA-N 1 1 364.320 2.227 20 5 FEBDMO COC[C@]1(CO)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000451934162 560338903 /nfs/dbraw/zinc/33/89/03/560338903.db2.gz QYXFFGHETVYFBW-GOSISDBHSA-N 1 1 361.398 2.123 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000452098682 560351056 /nfs/dbraw/zinc/35/10/56/560351056.db2.gz AVPRYLMJKCIOKS-LLVKDONJSA-N 1 1 361.851 2.351 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CCCO)C1 ZINC000452136833 560353527 /nfs/dbraw/zinc/35/35/27/560353527.db2.gz YVJHRKOBLMFXLY-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+](C2CC2)C1 ZINC000452169361 560354556 /nfs/dbraw/zinc/35/45/56/560354556.db2.gz HRTSTDHIIPMDHG-AWEZNQCLSA-N 1 1 369.425 2.337 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000453046134 560382319 /nfs/dbraw/zinc/38/23/19/560382319.db2.gz XLVCYLHBRQBHDS-IRXDYDNUSA-N 1 1 350.440 2.489 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000453046134 560382320 /nfs/dbraw/zinc/38/23/20/560382320.db2.gz XLVCYLHBRQBHDS-IRXDYDNUSA-N 1 1 350.440 2.489 20 5 FEBDMO CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453257997 560384753 /nfs/dbraw/zinc/38/47/53/560384753.db2.gz HLAZRFJHONBKCV-GDBMZVCRSA-N 1 1 351.447 2.491 20 5 FEBDMO CCOc1ccc([C@@H](C)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453257997 560384754 /nfs/dbraw/zinc/38/47/54/560384754.db2.gz HLAZRFJHONBKCV-GDBMZVCRSA-N 1 1 351.447 2.491 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000453980460 560418992 /nfs/dbraw/zinc/41/89/92/560418992.db2.gz RLTBOUKSJYRVMP-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000453980460 560418993 /nfs/dbraw/zinc/41/89/93/560418993.db2.gz RLTBOUKSJYRVMP-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455420006 560481546 /nfs/dbraw/zinc/48/15/46/560481546.db2.gz SPWMRHPFPPMPEC-CYBMUJFWSA-N 1 1 364.446 2.423 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000455420006 560481547 /nfs/dbraw/zinc/48/15/47/560481547.db2.gz SPWMRHPFPPMPEC-CYBMUJFWSA-N 1 1 364.446 2.423 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000455465313 560483388 /nfs/dbraw/zinc/48/33/88/560483388.db2.gz OTDVMDJUMJENLP-HNNXBMFYSA-N 1 1 350.419 2.126 20 5 FEBDMO CNc1nc(C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455993900 560503877 /nfs/dbraw/zinc/50/38/77/560503877.db2.gz LWXWEYSFSHPVFL-ZDUSSCGKSA-N 1 1 357.414 2.282 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458707677 560642392 /nfs/dbraw/zinc/64/23/92/560642392.db2.gz QISWHGBDNZJIQW-LBPRGKRZSA-N 1 1 360.418 2.002 20 5 FEBDMO Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000459625028 560698408 /nfs/dbraw/zinc/69/84/08/560698408.db2.gz WFWHNZYNUHTDDQ-SCLBCKFNSA-N 1 1 358.398 2.169 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457471 560772284 /nfs/dbraw/zinc/77/22/84/560772284.db2.gz TZHHNAZGOFPYST-CVEARBPZSA-N 1 1 369.425 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457471 560772286 /nfs/dbraw/zinc/77/22/86/560772286.db2.gz TZHHNAZGOFPYST-CVEARBPZSA-N 1 1 369.425 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457471 560772287 /nfs/dbraw/zinc/77/22/87/560772287.db2.gz TZHHNAZGOFPYST-CVEARBPZSA-N 1 1 369.425 2.220 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000461541173 560775074 /nfs/dbraw/zinc/77/50/74/560775074.db2.gz DAOPAKMCNHNTNT-ZDUSSCGKSA-N 1 1 360.418 2.026 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464798208 560851519 /nfs/dbraw/zinc/85/15/19/560851519.db2.gz IBUCRJBWTUDQBS-XIKOKIGWSA-N 1 1 371.397 2.308 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000464798208 560851520 /nfs/dbraw/zinc/85/15/20/560851520.db2.gz IBUCRJBWTUDQBS-XIKOKIGWSA-N 1 1 371.397 2.308 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467395763 560909397 /nfs/dbraw/zinc/90/93/97/560909397.db2.gz VCPUFUWLELWJAD-GHMZBOCLSA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467395763 560909398 /nfs/dbraw/zinc/90/93/98/560909398.db2.gz VCPUFUWLELWJAD-GHMZBOCLSA-N 1 1 361.489 2.363 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@H+]1Cc1ccccc1 ZINC000467692586 560915014 /nfs/dbraw/zinc/91/50/14/560915014.db2.gz UFVKASSTOJLVEU-TZMCWYRMSA-N 1 1 356.382 2.088 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1OC ZINC000468471889 560930851 /nfs/dbraw/zinc/93/08/51/560930851.db2.gz WDWQZPQBIZINAZ-HNNXBMFYSA-N 1 1 365.430 2.462 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000468476289 560930947 /nfs/dbraw/zinc/93/09/47/560930947.db2.gz SDQYBVVRCQTHSY-MRXNPFEDSA-N 1 1 363.414 2.216 20 5 FEBDMO CC[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000470126069 560974791 /nfs/dbraw/zinc/97/47/91/560974791.db2.gz XVCYOWVQKQLITK-CQSZACIVSA-N 1 1 354.382 2.308 20 5 FEBDMO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473362602 561048388 /nfs/dbraw/zinc/04/83/88/561048388.db2.gz QKZYIRLIAICSFG-RDJZCZTQSA-N 1 1 372.425 2.332 20 5 FEBDMO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473362602 561048389 /nfs/dbraw/zinc/04/83/89/561048389.db2.gz QKZYIRLIAICSFG-RDJZCZTQSA-N 1 1 372.425 2.332 20 5 FEBDMO COc1ccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)cc1[N+](=O)[O-] ZINC000474627057 561078891 /nfs/dbraw/zinc/07/88/91/561078891.db2.gz HUZBXCSAJSIDCB-UHFFFAOYSA-N 1 1 354.370 2.084 20 5 FEBDMO C[C@H]1C[C@H](CCNC(=O)c2cc([N+](=O)[O-])nn2C)C[N@H+]1Cc1ccccc1 ZINC000476648708 561125161 /nfs/dbraw/zinc/12/51/61/561125161.db2.gz OMWMJGNOEXYKNK-HOCLYGCPSA-N 1 1 371.441 2.359 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000477021443 561134449 /nfs/dbraw/zinc/13/44/49/561134449.db2.gz AIAANPGTIMVSSS-ZBFHGGJFSA-N 1 1 371.441 2.453 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000477065083 561135743 /nfs/dbraw/zinc/13/57/43/561135743.db2.gz KZQQBXIBVLBHDP-LJQANCHMSA-N 1 1 359.426 2.377 20 5 FEBDMO COc1ccc(CC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000531304035 562441456 /nfs/dbraw/zinc/44/14/56/562441456.db2.gz IVQRJZPJRJYKKE-MRXNPFEDSA-N 1 1 361.442 2.336 20 5 FEBDMO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@H+](C2CC2)C1 ZINC000532574701 562482161 /nfs/dbraw/zinc/48/21/61/562482161.db2.gz IDSAWFIQHPOIFY-ZDUSSCGKSA-N 1 1 352.822 2.355 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000532982622 562494727 /nfs/dbraw/zinc/49/47/27/562494727.db2.gz YDSVAXCQXBPIIM-INIZCTEOSA-N 1 1 374.441 2.319 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000533303640 562504599 /nfs/dbraw/zinc/50/45/99/562504599.db2.gz KEXIZQBQIXRKDS-OAHLLOKOSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000533303640 562504600 /nfs/dbraw/zinc/50/46/00/562504600.db2.gz KEXIZQBQIXRKDS-OAHLLOKOSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000533303640 562504601 /nfs/dbraw/zinc/50/46/01/562504601.db2.gz KEXIZQBQIXRKDS-OAHLLOKOSA-N 1 1 362.430 2.101 20 5 FEBDMO CC(C)[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000534731272 562541384 /nfs/dbraw/zinc/54/13/84/562541384.db2.gz JPRKUDIAICWXPH-IIDMSEBBSA-N 1 1 363.458 2.387 20 5 FEBDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000535583482 562562075 /nfs/dbraw/zinc/56/20/75/562562075.db2.gz XHRKRJKYHXEBNL-AWEZNQCLSA-N 1 1 365.430 2.200 20 5 FEBDMO C[C@H]1C[NH+](CCOC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000536894366 562582176 /nfs/dbraw/zinc/58/21/76/562582176.db2.gz UZCYJDHRGCSHLC-GJZGRUSLSA-N 1 1 364.446 2.084 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000537034827 562584325 /nfs/dbraw/zinc/58/43/25/562584325.db2.gz ANCGYDJHKGJGDQ-ZDUSSCGKSA-N 1 1 358.398 2.217 20 5 FEBDMO COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000537324947 562589542 /nfs/dbraw/zinc/58/95/42/562589542.db2.gz DSSYGTGIYFDZNR-HNNXBMFYSA-N 1 1 363.439 2.120 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000540827188 562594023 /nfs/dbraw/zinc/59/40/23/562594023.db2.gz IGQYXEZEEBAIKY-INIZCTEOSA-N 1 1 363.414 2.433 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@@H]1C ZINC000569000839 568266121 /nfs/dbraw/zinc/26/61/21/568266121.db2.gz NUQSXOBCDODRLM-UONOGXRCSA-N 1 1 366.437 2.489 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000570240378 568465326 /nfs/dbraw/zinc/46/53/26/568465326.db2.gz PHGVGEWRSAUDQB-ZDUSSCGKSA-N 1 1 359.430 2.260 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000809970737 674522621 /nfs/dbraw/zinc/52/26/21/674522621.db2.gz KGZVRSJYRIDSRT-KRWDZBQOSA-N 1 1 352.410 2.335 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821060399 606699072 /nfs/dbraw/zinc/69/90/72/606699072.db2.gz DJALKFMOOVBVBA-UHFFFAOYSA-N 1 1 374.449 2.118 20 5 FEBDMO C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000052277773 670311306 /nfs/dbraw/zinc/31/13/06/670311306.db2.gz CSKDWNNZHKUBHO-UHFFFAOYSA-N 1 1 368.821 2.401 20 5 FEBDMO C[N@@H+](CCCN1C(=O)NC(C)(C)C1=O)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000052277773 670311310 /nfs/dbraw/zinc/31/13/10/670311310.db2.gz CSKDWNNZHKUBHO-UHFFFAOYSA-N 1 1 368.821 2.401 20 5 FEBDMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000067393826 670457249 /nfs/dbraw/zinc/45/72/49/670457249.db2.gz WXMXTIKJQYXDIJ-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000092992947 670747058 /nfs/dbraw/zinc/74/70/58/670747058.db2.gz KLAPRCVSOPPMMW-LBPRGKRZSA-N 1 1 359.423 2.195 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000579464462 671737704 /nfs/dbraw/zinc/73/77/04/671737704.db2.gz SUVQPJOQUHLMCT-KCJUWKMLSA-N 1 1 363.748 2.081 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579516490 671741614 /nfs/dbraw/zinc/74/16/14/671741614.db2.gz NAGUOWUKLSAQFO-VNHYZAJKSA-N 1 1 351.451 2.198 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579516490 671741615 /nfs/dbraw/zinc/74/16/15/671741615.db2.gz NAGUOWUKLSAQFO-VNHYZAJKSA-N 1 1 351.451 2.198 20 5 FEBDMO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120302424 671922289 /nfs/dbraw/zinc/92/22/89/671922289.db2.gz SMPBUCLIBKCFCX-UHFFFAOYSA-N 1 1 371.440 2.398 20 5 FEBDMO CCCC[NH+]1CCC(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000582058023 671963102 /nfs/dbraw/zinc/96/31/02/671963102.db2.gz MRSLKUNDNMALEY-INIZCTEOSA-N 1 1 351.447 2.189 20 5 FEBDMO CCCCN1CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000582058023 671963105 /nfs/dbraw/zinc/96/31/05/671963105.db2.gz MRSLKUNDNMALEY-INIZCTEOSA-N 1 1 351.447 2.189 20 5 FEBDMO CCc1nn(C)c(NC[C@@H](C(CC)CC)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000583654986 672114381 /nfs/dbraw/zinc/11/43/81/672114381.db2.gz IHBIDXDQIVLJFH-HNNXBMFYSA-N 1 1 353.467 2.440 20 5 FEBDMO CCc1nn(C)c(NC[C@H](C(CC)CC)[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000583654987 672114399 /nfs/dbraw/zinc/11/43/99/672114399.db2.gz IHBIDXDQIVLJFH-OAHLLOKOSA-N 1 1 353.467 2.440 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000584309672 672175657 /nfs/dbraw/zinc/17/56/57/672175657.db2.gz SBWFFQGYRLXQMR-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3c[nH]nc3[N+](=O)[O-])C2)s1 ZINC000584355576 672179959 /nfs/dbraw/zinc/17/99/59/672179959.db2.gz CBODTCBOCSDTNV-GFCCVEGCSA-N 1 1 363.443 2.282 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000585800620 672236182 /nfs/dbraw/zinc/23/61/82/672236182.db2.gz CCYFYHFWSUCYMB-KZNAEPCWSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000585800620 672236184 /nfs/dbraw/zinc/23/61/84/672236184.db2.gz CCYFYHFWSUCYMB-KZNAEPCWSA-N 1 1 350.415 2.226 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000171933478 672337598 /nfs/dbraw/zinc/33/75/98/672337598.db2.gz LBEQNYWXHRSVOX-QGZVFWFLSA-N 1 1 350.438 2.336 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930230 676005979 /nfs/dbraw/zinc/00/59/79/676005979.db2.gz PCPNAWLSSSQMLW-LBPRGKRZSA-N 1 1 350.371 2.141 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000610930230 676005981 /nfs/dbraw/zinc/00/59/81/676005981.db2.gz PCPNAWLSSSQMLW-LBPRGKRZSA-N 1 1 350.371 2.141 20 5 FEBDMO COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179147392 672399164 /nfs/dbraw/zinc/39/91/64/672399164.db2.gz JPWWTIGBHGNNBY-LLVKDONJSA-N 1 1 355.778 2.214 20 5 FEBDMO COC(=O)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000179147392 672399165 /nfs/dbraw/zinc/39/91/65/672399165.db2.gz JPWWTIGBHGNNBY-LLVKDONJSA-N 1 1 355.778 2.214 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000590539741 672588262 /nfs/dbraw/zinc/58/82/62/672588262.db2.gz ZXSGUFNNWYDRNI-QWHCGFSZSA-N 1 1 351.378 2.252 20 5 FEBDMO CC[C@H]1CCCC[N@@H+]1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740880 672707085 /nfs/dbraw/zinc/70/70/85/672707085.db2.gz BRLKKXPBRYROOK-RDJZCZTQSA-N 1 1 351.447 2.189 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740880 672707087 /nfs/dbraw/zinc/70/70/87/672707087.db2.gz BRLKKXPBRYROOK-RDJZCZTQSA-N 1 1 351.447 2.189 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC000594749833 673128598 /nfs/dbraw/zinc/12/85/98/673128598.db2.gz AWBWYHRCZMMSEG-MJBXVCDLSA-N 1 1 368.459 2.016 20 5 FEBDMO COc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596128024 673361732 /nfs/dbraw/zinc/36/17/32/673361732.db2.gz FPJXIRIPSZYWRY-ZDUSSCGKSA-N 1 1 368.865 2.473 20 5 FEBDMO COC(=O)c1c(Cl)c(NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596136113 673362229 /nfs/dbraw/zinc/36/22/29/673362229.db2.gz TTWTXPUPUPAAKF-LLVKDONJSA-N 1 1 371.821 2.415 20 5 FEBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812427 673384549 /nfs/dbraw/zinc/38/45/49/673384549.db2.gz BAHYSLMRBAOPSV-LBPRGKRZSA-N 1 1 361.320 2.069 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000732812427 673384550 /nfs/dbraw/zinc/38/45/50/673384550.db2.gz BAHYSLMRBAOPSV-LBPRGKRZSA-N 1 1 361.320 2.069 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000597176323 673454064 /nfs/dbraw/zinc/45/40/64/673454064.db2.gz UWAQBHRJSIBMJS-LLVKDONJSA-N 1 1 353.329 2.310 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000597176323 673454066 /nfs/dbraw/zinc/45/40/66/673454066.db2.gz UWAQBHRJSIBMJS-LLVKDONJSA-N 1 1 353.329 2.310 20 5 FEBDMO Cn1c(C(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)ccc1[N+](=O)[O-] ZINC000597611900 673492840 /nfs/dbraw/zinc/49/28/40/673492840.db2.gz UBNFOIZZQWOEMT-UHFFFAOYSA-N 1 1 366.805 2.263 20 5 FEBDMO Cn1c(C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)ccc1[N+](=O)[O-] ZINC000597611900 673492843 /nfs/dbraw/zinc/49/28/43/673492843.db2.gz UBNFOIZZQWOEMT-UHFFFAOYSA-N 1 1 366.805 2.263 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598611956 673590495 /nfs/dbraw/zinc/59/04/95/673590495.db2.gz WSFLJBZUQHIGSK-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000543140095 673627119 /nfs/dbraw/zinc/62/71/19/673627119.db2.gz JUAJEHQAODOABY-CABCVRRESA-N 1 1 368.455 2.117 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000543140095 673627121 /nfs/dbraw/zinc/62/71/21/673627121.db2.gz JUAJEHQAODOABY-CABCVRRESA-N 1 1 368.455 2.117 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599125642 673634899 /nfs/dbraw/zinc/63/48/99/673634899.db2.gz IIBMLUQVFIWELI-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000599416907 673673044 /nfs/dbraw/zinc/67/30/44/673673044.db2.gz YNLIALATRLASIJ-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000599464222 673678807 /nfs/dbraw/zinc/67/88/07/673678807.db2.gz KKPLJDSXRAIINL-MRXNPFEDSA-N 1 1 367.471 2.074 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600035409 673736136 /nfs/dbraw/zinc/73/61/36/673736136.db2.gz NVVXTBQNNDNBBH-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000600981254 673816100 /nfs/dbraw/zinc/81/61/00/673816100.db2.gz CZLGQSRXAUECSG-VXGBXAGGSA-N 1 1 353.394 2.352 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]Cc3ccccc32)c(F)cc1[N+](=O)[O-] ZINC000601338922 673844830 /nfs/dbraw/zinc/84/48/30/673844830.db2.gz MYTYPWQVDKNBHC-UHFFFAOYSA-N 1 1 365.386 2.341 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000601420562 673859838 /nfs/dbraw/zinc/85/98/38/673859838.db2.gz VJFKOQNDLLRJSE-NSHDSACASA-N 1 1 373.500 2.460 20 5 FEBDMO COCCC[N@@H+](C)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602560622 673908085 /nfs/dbraw/zinc/90/80/85/673908085.db2.gz NUQSOZNFWGXQPP-UHFFFAOYSA-N 1 1 366.281 2.477 20 5 FEBDMO COCCCN(C)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602560622 673908086 /nfs/dbraw/zinc/90/80/86/673908086.db2.gz NUQSOZNFWGXQPP-UHFFFAOYSA-N 1 1 366.281 2.477 20 5 FEBDMO O=[N+]([O-])c1sc(C[NH2+]C2CN(c3ccncn3)C2)cc1Br ZINC000602743938 673910660 /nfs/dbraw/zinc/91/06/60/673910660.db2.gz UPWZDAVPASZBLD-UHFFFAOYSA-N 1 1 370.232 2.187 20 5 FEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602890369 673912734 /nfs/dbraw/zinc/91/27/34/673912734.db2.gz HZBUTKUWEPCZOQ-INIZCTEOSA-N 1 1 369.462 2.374 20 5 FEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602890369 673912737 /nfs/dbraw/zinc/91/27/37/673912737.db2.gz HZBUTKUWEPCZOQ-INIZCTEOSA-N 1 1 369.462 2.374 20 5 FEBDMO CC1(C)[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000603400444 673929636 /nfs/dbraw/zinc/92/96/36/673929636.db2.gz XJGZGUYMWIIEFZ-MNOVXSKESA-N 1 1 351.432 2.215 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000822235566 675473687 /nfs/dbraw/zinc/47/36/87/675473687.db2.gz MSMNCAWRKYQEAM-LLVKDONJSA-N 1 1 368.821 2.421 20 5 FEBDMO C[C@@H]1C[N@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000824951300 675630662 /nfs/dbraw/zinc/63/06/62/675630662.db2.gz UTJBEPUPCDBDSL-QWHCGFSZSA-N 1 1 369.849 2.406 20 5 FEBDMO C[C@@H]1C[N@@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000824951300 675630664 /nfs/dbraw/zinc/63/06/64/675630664.db2.gz UTJBEPUPCDBDSL-QWHCGFSZSA-N 1 1 369.849 2.406 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825814685 675670067 /nfs/dbraw/zinc/67/00/67/675670067.db2.gz ZBAAKGREXAKNPQ-UHFFFAOYSA-N 1 1 359.224 2.214 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@@H]1C ZINC000827660829 675771432 /nfs/dbraw/zinc/77/14/32/675771432.db2.gz BCRGUAQRJOEZOJ-QWHCGFSZSA-N 1 1 355.460 2.307 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000603640503 675800534 /nfs/dbraw/zinc/80/05/34/675800534.db2.gz QQSXLMUWOIFNNX-CHWSQXEVSA-N 1 1 355.460 2.444 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C[C@H]1C ZINC000619486214 676380285 /nfs/dbraw/zinc/38/02/85/676380285.db2.gz ZJAQNNQNPCQSQZ-CHWSQXEVSA-N 1 1 371.459 2.097 20 5 FEBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000830023053 677022156 /nfs/dbraw/zinc/02/21/56/677022156.db2.gz NFGNOGCUIIIGAW-ZBFHGGJFSA-N 1 1 367.446 2.363 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839571259 680762761 /nfs/dbraw/zinc/76/27/61/680762761.db2.gz MUGQAMMZDLZSPR-NSHDSACASA-N 1 1 368.821 2.128 20 5 FEBDMO C[N@@H+](CCCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000839572974 680762981 /nfs/dbraw/zinc/76/29/81/680762981.db2.gz NQPZNJSEBYCMJP-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839634847 680768343 /nfs/dbraw/zinc/76/83/43/680768343.db2.gz FDENNHONAAZLBI-LLVKDONJSA-N 1 1 356.220 2.267 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839634847 680768344 /nfs/dbraw/zinc/76/83/44/680768344.db2.gz FDENNHONAAZLBI-LLVKDONJSA-N 1 1 356.220 2.267 20 5 FEBDMO COC(=O)[C@@H]1CSCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000840186916 680805799 /nfs/dbraw/zinc/80/57/99/680805799.db2.gz SFJAOFJQXKOLRX-LBPRGKRZSA-N 1 1 364.427 2.048 20 5 FEBDMO COC(=O)[C@@H]1CSCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000840186916 680805800 /nfs/dbraw/zinc/80/58/00/680805800.db2.gz SFJAOFJQXKOLRX-LBPRGKRZSA-N 1 1 364.427 2.048 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840956900 680856971 /nfs/dbraw/zinc/85/69/71/680856971.db2.gz AFPDQYFSMBPAQB-JTQLQIEISA-N 1 1 356.220 2.267 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000840956900 680856972 /nfs/dbraw/zinc/85/69/72/680856972.db2.gz AFPDQYFSMBPAQB-JTQLQIEISA-N 1 1 356.220 2.267 20 5 FEBDMO CC[NH+](CC)CCO[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071732 680099172 /nfs/dbraw/zinc/09/91/72/680099172.db2.gz LCTOLWDCQKFBIY-MSOLQXFVSA-N 1 1 351.447 2.061 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC000981138196 680216976 /nfs/dbraw/zinc/21/69/76/680216976.db2.gz PLKBOXLTKHDXHO-IAGOWNOFSA-N 1 1 365.861 2.472 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccc(Cl)cc2)CC1 ZINC000981138196 680216981 /nfs/dbraw/zinc/21/69/81/680216981.db2.gz PLKBOXLTKHDXHO-IAGOWNOFSA-N 1 1 365.861 2.472 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccc(Cl)cc2)CC1 ZINC000981138196 680216984 /nfs/dbraw/zinc/21/69/84/680216984.db2.gz PLKBOXLTKHDXHO-IAGOWNOFSA-N 1 1 365.861 2.472 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC000981137339 680217164 /nfs/dbraw/zinc/21/71/64/680217164.db2.gz QETJZZTXQZQREB-NVXWUHKLSA-N 1 1 365.861 2.472 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCCc2ccccc2Cl)CC1 ZINC000981137339 680217165 /nfs/dbraw/zinc/21/71/65/680217165.db2.gz QETJZZTXQZQREB-NVXWUHKLSA-N 1 1 365.861 2.472 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2Cl)CC1 ZINC000981137339 680217166 /nfs/dbraw/zinc/21/71/66/680217166.db2.gz QETJZZTXQZQREB-NVXWUHKLSA-N 1 1 365.861 2.472 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c1F ZINC000834591714 680244513 /nfs/dbraw/zinc/24/45/13/680244513.db2.gz CESBCVHWMGADKT-QWRGUYRKSA-N 1 1 357.332 2.440 20 5 FEBDMO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cc1Cl ZINC000996429887 680332297 /nfs/dbraw/zinc/33/22/97/680332297.db2.gz WQYKMHGMIDFWSF-UKRRQHHQSA-N 1 1 367.833 2.094 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000997771986 680365764 /nfs/dbraw/zinc/36/57/64/680365764.db2.gz KJEDQOJHNYMMKU-HZPDHXFCSA-N 1 1 351.834 2.333 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](Cc2cscn2)CC2CC2)CC1 ZINC001039485675 680463765 /nfs/dbraw/zinc/46/37/65/680463765.db2.gz JKQSHOBXMWGPMM-HZPDHXFCSA-N 1 1 364.471 2.011 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@@H+](Cc2cscn2)CC2CC2)CC1 ZINC001039485675 680463770 /nfs/dbraw/zinc/46/37/70/680463770.db2.gz JKQSHOBXMWGPMM-HZPDHXFCSA-N 1 1 364.471 2.011 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([N@H+](Cc2cscn2)CC2CC2)CC1 ZINC001039485675 680463773 /nfs/dbraw/zinc/46/37/73/680463773.db2.gz JKQSHOBXMWGPMM-HZPDHXFCSA-N 1 1 364.471 2.011 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000836717491 680503219 /nfs/dbraw/zinc/50/32/19/680503219.db2.gz BMWFXMGCUGDNBV-CYBMUJFWSA-N 1 1 367.833 2.351 20 5 FEBDMO Cc1cccc(Cl)c1C[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002788167 680508501 /nfs/dbraw/zinc/50/85/01/680508501.db2.gz OCTVEBUJYKFQEN-CZUORRHYSA-N 1 1 351.834 2.394 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000836791574 680514593 /nfs/dbraw/zinc/51/45/93/680514593.db2.gz VQOKMEGCRVCBDG-GFCCVEGCSA-N 1 1 355.822 2.133 20 5 FEBDMO CN(C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000932547730 681262913 /nfs/dbraw/zinc/26/29/13/681262913.db2.gz QQXFSFFDDPJAIS-VIFPVBQESA-N 1 1 356.785 2.278 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 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/nfs/dbraw/zinc/76/70/69/681767069.db2.gz JDPQOSVLQRZIGH-LBPRGKRZSA-N 1 1 373.862 2.319 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[NH+](CCCCCO)CC1 ZINC000913688783 685482155 /nfs/dbraw/zinc/48/21/55/685482155.db2.gz LTYIDZUQXADGGF-UHFFFAOYSA-N 1 1 373.812 2.308 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000850548423 681915445 /nfs/dbraw/zinc/91/54/45/681915445.db2.gz RCDWVHXLLOFOJB-LLVKDONJSA-N 1 1 368.821 2.176 20 5 FEBDMO CC[N@@H+](CC1CC(F)(F)C1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713135 681918857 /nfs/dbraw/zinc/91/88/57/681918857.db2.gz NSXKBWITHYUAMT-HUUCEWRRSA-N 1 1 359.417 2.257 20 5 FEBDMO CC[N@H+](CC1CC(F)(F)C1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713135 681918865 /nfs/dbraw/zinc/91/88/65/681918865.db2.gz NSXKBWITHYUAMT-HUUCEWRRSA-N 1 1 359.417 2.257 20 5 FEBDMO CC[N@@H+](CC1CC(F)(F)C1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713135 681918870 /nfs/dbraw/zinc/91/88/70/681918870.db2.gz NSXKBWITHYUAMT-HUUCEWRRSA-N 1 1 359.417 2.257 20 5 FEBDMO CCC1(CC)CN(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)O1 ZINC000782859221 682088235 /nfs/dbraw/zinc/08/82/35/682088235.db2.gz FXPGXTPQOXYBPO-UHFFFAOYSA-N 1 1 351.407 2.397 20 5 FEBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000851820574 682147498 /nfs/dbraw/zinc/14/74/98/682147498.db2.gz CAEDTGFUDSVNJS-LLVKDONJSA-N 1 1 361.851 2.319 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000918194032 685537868 /nfs/dbraw/zinc/53/78/68/685537868.db2.gz QJUFPXYBGNCKRG-NEPJUHHUSA-N 1 1 359.423 2.275 20 5 FEBDMO Cc1c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000855288401 682654258 /nfs/dbraw/zinc/65/42/58/682654258.db2.gz IOUDVYFARATOKT-NSHDSACASA-N 1 1 350.375 2.414 20 5 FEBDMO COc1ccc(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000794669002 682988651 /nfs/dbraw/zinc/98/86/51/682988651.db2.gz NGUIBFLVXMGIKN-AWEZNQCLSA-N 1 1 352.387 2.117 20 5 FEBDMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000926252938 683099142 /nfs/dbraw/zinc/09/91/42/683099142.db2.gz AFMDEVILAXQSRV-SMKXDYDZSA-N 1 1 367.471 2.256 20 5 FEBDMO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796553020 683170603 /nfs/dbraw/zinc/17/06/03/683170603.db2.gz NOCXTSOKOXWBKH-JKSUJKDBSA-N 1 1 351.403 2.181 20 5 FEBDMO Cc1c(CC(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000797021244 683216218 /nfs/dbraw/zinc/21/62/18/683216218.db2.gz WTOWHGMDFXYSPA-INIZCTEOSA-N 1 1 350.415 2.346 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000797528817 683257174 /nfs/dbraw/zinc/25/71/74/683257174.db2.gz XIVNWGCAVPXLGI-DTTOXWODSA-N 1 1 350.415 2.287 20 5 FEBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000919860015 683303873 /nfs/dbraw/zinc/30/38/73/683303873.db2.gz GKWNQXSOBQYIKK-CMPLNLGQSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000919860015 683303875 /nfs/dbraw/zinc/30/38/75/683303875.db2.gz GKWNQXSOBQYIKK-CMPLNLGQSA-N 1 1 359.835 2.105 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798294662 683332501 /nfs/dbraw/zinc/33/25/01/683332501.db2.gz HPJXXODAFPHDBJ-BXKDBHETSA-N 1 1 371.235 2.165 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000920315974 683334133 /nfs/dbraw/zinc/33/41/33/683334133.db2.gz SQSLLMADESHHCF-GHMZBOCLSA-N 1 1 359.835 2.153 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928092984 683381471 /nfs/dbraw/zinc/38/14/71/683381471.db2.gz JKIZQOMPYCIGEF-HUUCEWRRSA-N 1 1 369.874 2.487 20 5 FEBDMO COc1cc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@H+]2C)cc([N+](=O)[O-])c1C ZINC000861351984 683395891 /nfs/dbraw/zinc/39/58/91/683395891.db2.gz LIKJBBYRSMZKKZ-CXAGYDPISA-N 1 1 352.387 2.178 20 5 FEBDMO COc1ccc(CSCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451742 683454032 /nfs/dbraw/zinc/45/40/32/683454032.db2.gz GNQUZPOTAVYHEN-AAEUAGOBSA-N 1 1 353.444 2.045 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000929216499 683564083 /nfs/dbraw/zinc/56/40/83/683564083.db2.gz BYSAIJUGIGGIDC-GJZGRUSLSA-N 1 1 368.821 2.311 20 5 FEBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294536 683699648 /nfs/dbraw/zinc/69/96/48/683699648.db2.gz HIVHKPRYECTKRU-VYDXJSESSA-N 1 1 363.439 2.459 20 5 FEBDMO O=C1C[C@H](Oc2ccc([N+](=O)[O-])cc2)N1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000863294536 683699650 /nfs/dbraw/zinc/69/96/50/683699650.db2.gz HIVHKPRYECTKRU-VYDXJSESSA-N 1 1 363.439 2.459 20 5 FEBDMO CCN1CCN([C@@H](C)C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866233130 684084986 /nfs/dbraw/zinc/08/49/86/684084986.db2.gz RPKDUBIQSZRFIT-CABCVRRESA-N 1 1 352.454 2.281 20 5 FEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000931725074 684337103 /nfs/dbraw/zinc/33/71/03/684337103.db2.gz NNCHNWZGJXLGAC-QWHCGFSZSA-N 1 1 352.822 2.355 20 5 FEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000931725493 684337693 /nfs/dbraw/zinc/33/76/93/684337693.db2.gz XNTQWJUFQZRDGG-WCQYABFASA-N 1 1 352.822 2.355 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932005681 684387547 /nfs/dbraw/zinc/38/75/47/684387547.db2.gz WUWYGHUSPPVDCH-GHMZBOCLSA-N 1 1 369.805 2.270 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932005681 684387553 /nfs/dbraw/zinc/38/75/53/684387553.db2.gz WUWYGHUSPPVDCH-GHMZBOCLSA-N 1 1 369.805 2.270 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872661978 684999559 /nfs/dbraw/zinc/99/95/59/684999559.db2.gz BFLYBVIKWXMROQ-VXGBXAGGSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872661978 684999565 /nfs/dbraw/zinc/99/95/65/684999565.db2.gz BFLYBVIKWXMROQ-VXGBXAGGSA-N 1 1 359.835 2.105 20 5 FEBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000880028295 686978592 /nfs/dbraw/zinc/97/85/92/686978592.db2.gz CAXGPRNZBDCTGV-LBPRGKRZSA-N 1 1 351.403 2.215 20 5 FEBDMO COCC1([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCC1 ZINC000880187314 687013314 /nfs/dbraw/zinc/01/33/14/687013314.db2.gz DVLPEAQUQAMRFE-UHFFFAOYSA-N 1 1 351.403 2.433 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000880500178 687054697 /nfs/dbraw/zinc/05/46/97/687054697.db2.gz UDVLVABYHCFDDJ-CABCVRRESA-N 1 1 367.833 2.477 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884958808 687975924 /nfs/dbraw/zinc/97/59/24/687975924.db2.gz DXGVFBAERVJNJD-NEPJUHHUSA-N 1 1 373.862 2.462 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885868592 688172967 /nfs/dbraw/zinc/17/29/67/688172967.db2.gz LEBWOQHDNNPNTP-HNNXBMFYSA-N 1 1 367.833 2.160 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888989036 688716264 /nfs/dbraw/zinc/71/62/64/688716264.db2.gz YGVZCNVITAICJU-UHFFFAOYSA-N 1 1 366.487 2.026 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888989036 688716265 /nfs/dbraw/zinc/71/62/65/688716265.db2.gz YGVZCNVITAICJU-UHFFFAOYSA-N 1 1 366.487 2.026 20 5 FEBDMO CN(CC[N@@H+](C)CCO)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000894590328 689559833 /nfs/dbraw/zinc/55/98/33/689559833.db2.gz DCDKZCMJIUXTOO-UHFFFAOYSA-N 1 1 372.294 2.004 20 5 FEBDMO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H]1C[N@@H+](C)CCN1C ZINC000896579278 689900258 /nfs/dbraw/zinc/90/02/58/689900258.db2.gz BQFATQIUDJITHW-BXUZGUMPSA-N 1 1 362.455 2.174 20 5 FEBDMO C[N@H+]1CCC[C@@](O)(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000900837396 690571848 /nfs/dbraw/zinc/57/18/48/690571848.db2.gz GICOIBBJOLIYRX-DLBZAZTESA-N 1 1 365.455 2.016 20 5 FEBDMO COc1cc([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903091676 690843019 /nfs/dbraw/zinc/84/30/19/690843019.db2.gz YMYKTSJUCROPTR-HUUCEWRRSA-N 1 1 350.463 2.138 20 5 FEBDMO COc1cc([C@@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903154496 690857156 /nfs/dbraw/zinc/85/71/56/690857156.db2.gz ZHZFGNIIUMNSES-HUUCEWRRSA-N 1 1 350.463 2.280 20 5 FEBDMO C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@H+](C)CCO1 ZINC000907071219 691386755 /nfs/dbraw/zinc/38/67/55/691386755.db2.gz OXTWZVCQHDJKAX-IAQYHMDHSA-N 1 1 355.822 2.016 20 5 FEBDMO C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[N@@H+](C)CCO1 ZINC000907071219 691386758 /nfs/dbraw/zinc/38/67/58/691386758.db2.gz OXTWZVCQHDJKAX-IAQYHMDHSA-N 1 1 355.822 2.016 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCC[N@@H+]1CCCO ZINC000908524719 691693427 /nfs/dbraw/zinc/69/34/27/691693427.db2.gz BORAMTVKDHTREK-OAHLLOKOSA-N 1 1 369.849 2.144 20 5 FEBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867768 721062580 /nfs/dbraw/zinc/06/25/80/721062580.db2.gz KHFBZZKQKBWFRB-HZPDHXFCSA-N 1 1 373.388 2.004 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931230 721861378 /nfs/dbraw/zinc/86/13/78/721861378.db2.gz UJLZHTWBJSKPRQ-ROUUACIJSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001164931230 721861379 /nfs/dbraw/zinc/86/13/79/721861379.db2.gz UJLZHTWBJSKPRQ-ROUUACIJSA-N 1 1 355.442 2.358 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000023991824 539723029 /nfs/dbraw/zinc/72/30/29/539723029.db2.gz PMJXRIJPAIWQCJ-CYBMUJFWSA-N 1 1 360.370 2.420 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000023991824 539723033 /nfs/dbraw/zinc/72/30/33/539723033.db2.gz PMJXRIJPAIWQCJ-CYBMUJFWSA-N 1 1 360.370 2.420 20 5 FEBDMO CC(C)NC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000029587107 539857078 /nfs/dbraw/zinc/85/70/78/539857078.db2.gz PZGFGIBIZKLDSG-UHFFFAOYSA-N 1 1 371.441 2.180 20 5 FEBDMO CC(C)NC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000029587107 539857082 /nfs/dbraw/zinc/85/70/82/539857082.db2.gz PZGFGIBIZKLDSG-UHFFFAOYSA-N 1 1 371.441 2.180 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000045744898 540224908 /nfs/dbraw/zinc/22/49/08/540224908.db2.gz CUSGDAJKXVQRAC-STQMWFEESA-N 1 1 371.459 2.002 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000047145403 540292769 /nfs/dbraw/zinc/29/27/69/540292769.db2.gz KADCQILHTPEFES-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO C[C@@H](C(N)=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000048018455 540340710 /nfs/dbraw/zinc/34/07/10/540340710.db2.gz ZGLQDBJAAXWYFA-ZDUSSCGKSA-N 1 1 374.466 2.315 20 5 FEBDMO CNC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000053548242 540542068 /nfs/dbraw/zinc/54/20/68/540542068.db2.gz ZWPGEFZJHHVJBB-UHFFFAOYSA-N 1 1 354.410 2.277 20 5 FEBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000055300975 540645059 /nfs/dbraw/zinc/64/50/59/540645059.db2.gz LXWCUHTWSOFOGL-UHFFFAOYSA-N 1 1 373.450 2.476 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCOCC1 ZINC000056333379 540719207 /nfs/dbraw/zinc/71/92/07/540719207.db2.gz BIQBWTPYPLWRPX-MRXNPFEDSA-N 1 1 360.414 2.163 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000056786190 540745118 /nfs/dbraw/zinc/74/51/18/540745118.db2.gz QUSBOIKOWVRSGM-HUUCEWRRSA-N 1 1 363.462 2.426 20 5 FEBDMO C[NH+]1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000057288501 540786138 /nfs/dbraw/zinc/78/61/38/540786138.db2.gz JHPCWUOZUAUXLJ-MRXNPFEDSA-N 1 1 374.466 2.375 20 5 FEBDMO C[NH+]1CCN([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2cccs2)CC1 ZINC000057288207 540786388 /nfs/dbraw/zinc/78/63/88/540786388.db2.gz HHHOHVSLTAIYFF-INIZCTEOSA-N 1 1 374.466 2.375 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000058178752 540831321 /nfs/dbraw/zinc/83/13/21/540831321.db2.gz SDHSGHFQWPWMNP-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000062120376 541144153 /nfs/dbraw/zinc/14/41/53/541144153.db2.gz NLKVWKDAHZVULP-OLZOCXBDSA-N 1 1 362.430 2.221 20 5 FEBDMO CC(C)[N@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350824 541202197 /nfs/dbraw/zinc/20/21/97/541202197.db2.gz AWVBXBXSHDUBGV-UHFFFAOYSA-N 1 1 359.430 2.197 20 5 FEBDMO CC(C)[N@@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350824 541202201 /nfs/dbraw/zinc/20/22/01/541202201.db2.gz AWVBXBXSHDUBGV-UHFFFAOYSA-N 1 1 359.430 2.197 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CCO1 ZINC000066395961 541313754 /nfs/dbraw/zinc/31/37/54/541313754.db2.gz RUNOYLIUNVOTNA-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO CNC(=O)c1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000066861455 541383324 /nfs/dbraw/zinc/38/33/24/541383324.db2.gz IKFMWYFRAJYNFG-UHFFFAOYSA-N 1 1 354.410 2.277 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067361158 541449103 /nfs/dbraw/zinc/44/91/03/541449103.db2.gz VUKXZNNDCYWFBG-KRWDZBQOSA-N 1 1 371.441 2.210 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000069989525 541730106 /nfs/dbraw/zinc/73/01/06/541730106.db2.gz NCPKJXJBHNZFKV-UHFFFAOYSA-N 1 1 368.821 2.129 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000072703882 541854730 /nfs/dbraw/zinc/85/47/30/541854730.db2.gz LRXPQIBVXBGIEI-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000072716324 541855369 /nfs/dbraw/zinc/85/53/69/541855369.db2.gz RKCBIRUNGKOPSO-OAHLLOKOSA-N 1 1 367.471 2.256 20 5 FEBDMO COC(=O)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000109390129 206055487 /nfs/dbraw/zinc/05/54/87/206055487.db2.gz QGIBTGXQMINDHP-UHFFFAOYSA-N 1 1 367.402 2.063 20 5 FEBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000073305410 541940775 /nfs/dbraw/zinc/94/07/75/541940775.db2.gz NYCGTJUACUCZGN-UHFFFAOYSA-N 1 1 356.382 2.276 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078203146 542447633 /nfs/dbraw/zinc/44/76/33/542447633.db2.gz KYMUJIZZJFMGCR-ZMSDIMECSA-N 1 1 358.442 2.340 20 5 FEBDMO COC1CC[NH+](CCNc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000080250248 542578908 /nfs/dbraw/zinc/57/89/08/542578908.db2.gz AEMOENDQFDVBKC-UHFFFAOYSA-N 1 1 359.224 2.275 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000081122187 542634429 /nfs/dbraw/zinc/63/44/29/542634429.db2.gz ISQLCNDWKPYLBL-MRXNPFEDSA-N 1 1 371.441 2.259 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000089961119 542777371 /nfs/dbraw/zinc/77/73/71/542777371.db2.gz GFJJULFYIWMREW-DLBZAZTESA-N 1 1 369.421 2.268 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H](C(N)=O)O1 ZINC000092006744 542836465 /nfs/dbraw/zinc/83/64/65/542836465.db2.gz NGRDQTFSMHHHCP-ABAIWWIYSA-N 1 1 361.423 2.398 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C[C@@H](C(N)=O)O1 ZINC000092006744 542836467 /nfs/dbraw/zinc/83/64/67/542836467.db2.gz NGRDQTFSMHHHCP-ABAIWWIYSA-N 1 1 361.423 2.398 20 5 FEBDMO CCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000156005690 545591667 /nfs/dbraw/zinc/59/16/67/545591667.db2.gz PXQRQWPUPVRARX-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102490217 543071726 /nfs/dbraw/zinc/07/17/26/543071726.db2.gz ZXXAEULTSCGFPQ-ZDUSSCGKSA-N 1 1 351.451 2.153 20 5 FEBDMO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103491676 543111723 /nfs/dbraw/zinc/11/17/23/543111723.db2.gz OJCKSNUKNONQJG-MRXNPFEDSA-N 1 1 374.485 2.202 20 5 FEBDMO COC(=O)/C=C/c1ccc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000106369750 543226024 /nfs/dbraw/zinc/22/60/24/543226024.db2.gz XXLCABNVSPMQDJ-MIOHMZDASA-N 1 1 361.398 2.056 20 5 FEBDMO COC(=O)/C=C/c1ccc(NC[C@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000106369750 543226030 /nfs/dbraw/zinc/22/60/30/543226030.db2.gz XXLCABNVSPMQDJ-MIOHMZDASA-N 1 1 361.398 2.056 20 5 FEBDMO Cc1cc(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc([N+](=O)[O-])c1 ZINC000107283091 543265046 /nfs/dbraw/zinc/26/50/46/543265046.db2.gz YCDZONBFNJUNHD-QGZVFWFLSA-N 1 1 360.458 2.145 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000111231228 543387286 /nfs/dbraw/zinc/38/72/86/543387286.db2.gz VHRJKWROTZFEPX-OAHLLOKOSA-N 1 1 350.438 2.336 20 5 FEBDMO COCC1CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000112356102 543443604 /nfs/dbraw/zinc/44/36/04/543443604.db2.gz MWCDJOCETRFZNS-GFCCVEGCSA-N 1 1 351.403 2.289 20 5 FEBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000113271256 543480987 /nfs/dbraw/zinc/48/09/87/543480987.db2.gz UZQVSKWECJMDOV-WCQYABFASA-N 1 1 352.822 2.355 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000113301246 543483401 /nfs/dbraw/zinc/48/34/01/543483401.db2.gz HAUJUDYYFSAKJB-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000115436534 543566551 /nfs/dbraw/zinc/56/65/51/543566551.db2.gz JSBUWHLBLBERML-ZDUSSCGKSA-N 1 1 363.414 2.185 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000115441286 543567427 /nfs/dbraw/zinc/56/74/27/543567427.db2.gz IXIPFMYQPWTULQ-AWEZNQCLSA-N 1 1 371.441 2.409 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115585999 543575983 /nfs/dbraw/zinc/57/59/83/543575983.db2.gz OCUSKFNDYACBAN-CYBMUJFWSA-N 1 1 355.460 2.120 20 5 FEBDMO O=C(c1ccccn1)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116074876 543597751 /nfs/dbraw/zinc/59/77/51/543597751.db2.gz MPTKFTHBJUCMRB-UHFFFAOYSA-N 1 1 354.410 2.380 20 5 FEBDMO CS(=O)(=O)N[C@H]1CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000116891904 543619176 /nfs/dbraw/zinc/61/91/76/543619176.db2.gz ZHTCDPDMINBTPM-HNNXBMFYSA-N 1 1 372.446 2.070 20 5 FEBDMO CS(=O)(=O)N[C@H]1CC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000116891904 543619178 /nfs/dbraw/zinc/61/91/78/543619178.db2.gz ZHTCDPDMINBTPM-HNNXBMFYSA-N 1 1 372.446 2.070 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123140095 543744924 /nfs/dbraw/zinc/74/49/24/543744924.db2.gz YGXXNBNPKGBKKY-MFKMUULPSA-N 1 1 350.375 2.366 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000122419412 543707144 /nfs/dbraw/zinc/70/71/44/543707144.db2.gz ONSLHWDRQPCNMS-KGLIPLIRSA-N 1 1 353.444 2.008 20 5 FEBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000124893693 543850051 /nfs/dbraw/zinc/85/00/51/543850051.db2.gz PJALTZBXYPHPCW-HIFRSBDPSA-N 1 1 371.397 2.135 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](CO)c1cccc(Br)c1 ZINC000125595315 543890517 /nfs/dbraw/zinc/89/05/17/543890517.db2.gz BYNYYJOZKATOCN-ZDUSSCGKSA-N 1 1 369.219 2.219 20 5 FEBDMO Cc1ccc(NCCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH+]c1 ZINC000127769189 544012632 /nfs/dbraw/zinc/01/26/32/544012632.db2.gz BSDCDVYGAZVLRL-UHFFFAOYSA-N 1 1 359.342 2.438 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000127846320 544017037 /nfs/dbraw/zinc/01/70/37/544017037.db2.gz NLNZMIQCIQACTA-ZDUSSCGKSA-N 1 1 350.419 2.396 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000127846320 544017040 /nfs/dbraw/zinc/01/70/40/544017040.db2.gz NLNZMIQCIQACTA-ZDUSSCGKSA-N 1 1 350.419 2.396 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000127904491 544021400 /nfs/dbraw/zinc/02/14/00/544021400.db2.gz NBAXHMJXFRYMGK-CQSZACIVSA-N 1 1 353.394 2.307 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000127904491 544021403 /nfs/dbraw/zinc/02/14/03/544021403.db2.gz NBAXHMJXFRYMGK-CQSZACIVSA-N 1 1 353.394 2.307 20 5 FEBDMO Cc1c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000127256465 543981021 /nfs/dbraw/zinc/98/10/21/543981021.db2.gz ZSHGSXJPLZDGAQ-NXEZZACHSA-N 1 1 350.375 2.284 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)COC2CCOCC2)C2CC2)cc1 ZINC000130407099 544149509 /nfs/dbraw/zinc/14/95/09/544149509.db2.gz TWOGMLRSXNLHMS-KRWDZBQOSA-N 1 1 350.415 2.116 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000145527603 544434694 /nfs/dbraw/zinc/43/46/94/544434694.db2.gz CVWZAZVWIVRPHT-BETUJISGSA-N 1 1 360.414 2.305 20 5 FEBDMO CCOc1ccc(NC(=O)CN(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152509662 544663349 /nfs/dbraw/zinc/66/33/49/544663349.db2.gz ZVHXDMXLYUFWJN-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000152877793 544706183 /nfs/dbraw/zinc/70/61/83/544706183.db2.gz ZCGHEGSYVHSLPQ-AGIUHOORSA-N 1 1 351.403 2.166 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000152877793 544706188 /nfs/dbraw/zinc/70/61/88/544706188.db2.gz ZCGHEGSYVHSLPQ-AGIUHOORSA-N 1 1 351.403 2.166 20 5 FEBDMO COc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000153153616 544739087 /nfs/dbraw/zinc/73/90/87/544739087.db2.gz KSWYEEBYFDLUAS-INIZCTEOSA-N 1 1 358.394 2.401 20 5 FEBDMO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153615909 544798723 /nfs/dbraw/zinc/79/87/23/544798723.db2.gz LGNMSZVURGRBCK-CABCVRRESA-N 1 1 350.463 2.280 20 5 FEBDMO Cc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000155192442 545000450 /nfs/dbraw/zinc/00/04/50/545000450.db2.gz UOYMCNAVWKVTSB-IUODEOHRSA-N 1 1 362.386 2.368 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000553249343 674248241 /nfs/dbraw/zinc/24/82/41/674248241.db2.gz FVQKFECNHRKLNV-LLVKDONJSA-N 1 1 351.432 2.368 20 5 FEBDMO CCN1CC[NH+](C[C@H](C)CNc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1 ZINC000804357972 674281895 /nfs/dbraw/zinc/28/18/95/674281895.db2.gz SHVSZNRSLYZTAK-CYBMUJFWSA-N 1 1 351.407 2.189 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187903626 328053541 /nfs/dbraw/zinc/05/35/41/328053541.db2.gz MIVMSQVSNMEIAL-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000188176403 328071205 /nfs/dbraw/zinc/07/12/05/328071205.db2.gz CQTSCKZNQVRPNS-FQEVSTJZSA-N 1 1 369.421 2.304 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000188644455 328101111 /nfs/dbraw/zinc/10/11/11/328101111.db2.gz LRMHBUAMNIMTJN-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CC(C)(C)O ZINC000188644455 328101112 /nfs/dbraw/zinc/10/11/12/328101112.db2.gz LRMHBUAMNIMTJN-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO COCC[N@@H+](C)CCCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000189430635 328147915 /nfs/dbraw/zinc/14/79/15/328147915.db2.gz DWAMPYKWVOXRRN-UHFFFAOYSA-N 1 1 352.435 2.113 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189555357 328154998 /nfs/dbraw/zinc/15/49/98/328154998.db2.gz FNHIQTJUGRLFMN-LSDHHAIUSA-N 1 1 351.447 2.269 20 5 FEBDMO CC(C)c1ccc(C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000189795620 328168548 /nfs/dbraw/zinc/16/85/48/328168548.db2.gz GYNWMNGGJFWGJH-OAHLLOKOSA-N 1 1 362.474 2.332 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000190065535 328185406 /nfs/dbraw/zinc/18/54/06/328185406.db2.gz PKLWPCUGSJTKSE-STQMWFEESA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000190065535 328185407 /nfs/dbraw/zinc/18/54/07/328185407.db2.gz PKLWPCUGSJTKSE-STQMWFEESA-N 1 1 353.444 2.115 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000191348560 328261483 /nfs/dbraw/zinc/26/14/83/328261483.db2.gz JXONXPWWPUBYIC-SFHVURJKSA-N 1 1 361.442 2.294 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@]2(CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000191652006 328275968 /nfs/dbraw/zinc/27/59/68/328275968.db2.gz QXOTXCISNLSLQI-SFHVURJKSA-N 1 1 365.430 2.415 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192959393 328349171 /nfs/dbraw/zinc/34/91/71/328349171.db2.gz APRIVXZHPRUOSQ-CQSZACIVSA-N 1 1 355.398 2.023 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000193105598 328357558 /nfs/dbraw/zinc/35/75/58/328357558.db2.gz SDHSGHFQWPWMNP-STQMWFEESA-N 1 1 371.459 2.002 20 5 FEBDMO O=C1NC(=O)[C@]2(CCC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)N1 ZINC000193466647 328377051 /nfs/dbraw/zinc/37/70/51/328377051.db2.gz VVVIAVAQFQKYNI-GOSISDBHSA-N 1 1 370.365 2.029 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000078350989 325043330 /nfs/dbraw/zinc/04/33/30/325043330.db2.gz IVKPZRNQVAIZQX-QGZVFWFLSA-N 1 1 363.439 2.317 20 5 FEBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000081555143 325183191 /nfs/dbraw/zinc/18/31/91/325183191.db2.gz RHEGVGCXLGNQCH-SECBINFHSA-N 1 1 361.345 2.019 20 5 FEBDMO O=C(Nc1ccccc1)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090511988 325361704 /nfs/dbraw/zinc/36/17/04/325361704.db2.gz OVSQEPMTGUDMKH-HNNXBMFYSA-N 1 1 370.409 2.107 20 5 FEBDMO O=C1CCCN1C1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000104730012 325544043 /nfs/dbraw/zinc/54/40/43/325544043.db2.gz OBCNYPVZOAUBMY-UHFFFAOYSA-N 1 1 361.398 2.048 20 5 FEBDMO COCCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116884759 326040207 /nfs/dbraw/zinc/04/02/07/326040207.db2.gz XJMWNTJROCTNGJ-ZDUSSCGKSA-N 1 1 351.403 2.049 20 5 FEBDMO CN(C)C(=O)c1cccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000118867114 326109943 /nfs/dbraw/zinc/10/99/43/326109943.db2.gz FEGMSIQSCVICIF-MRXNPFEDSA-N 1 1 369.425 2.378 20 5 FEBDMO C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866259 326110182 /nfs/dbraw/zinc/11/01/82/326110182.db2.gz HCAMGNZYHHQBIW-ZBFHGGJFSA-N 1 1 369.425 2.181 20 5 FEBDMO C[C@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866259 326110186 /nfs/dbraw/zinc/11/01/86/326110186.db2.gz HCAMGNZYHHQBIW-ZBFHGGJFSA-N 1 1 369.425 2.181 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000119082644 326125320 /nfs/dbraw/zinc/12/53/20/326125320.db2.gz VDVXUZMOTOZLTL-UHFFFAOYSA-N 1 1 372.834 2.464 20 5 FEBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000119729449 326191964 /nfs/dbraw/zinc/19/19/64/326191964.db2.gz FHFZYVLFRFOGTN-GFCCVEGCSA-N 1 1 368.821 2.434 20 5 FEBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000119959696 326216190 /nfs/dbraw/zinc/21/61/90/326216190.db2.gz IDXBONJOFCOCTI-CQSZACIVSA-N 1 1 350.419 2.132 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000120254650 326244139 /nfs/dbraw/zinc/24/41/39/326244139.db2.gz BQAKVTJEHXDBJR-OAHLLOKOSA-N 1 1 362.430 2.398 20 5 FEBDMO CCC[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000121648202 326354944 /nfs/dbraw/zinc/35/49/44/326354944.db2.gz FLEBFNPVVQIXFK-INIZCTEOSA-N 1 1 351.447 2.406 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000123285726 326426361 /nfs/dbraw/zinc/42/63/61/326426361.db2.gz XMAFYBZVBBMWOQ-CYBMUJFWSA-N 1 1 367.471 2.236 20 5 FEBDMO COc1cc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000127165235 326501410 /nfs/dbraw/zinc/50/14/10/326501410.db2.gz KCHAJPSZFTZUBP-NXEZZACHSA-N 1 1 373.356 2.369 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000128547483 326525743 /nfs/dbraw/zinc/52/57/43/326525743.db2.gz AVPGKGJYMFCIJN-ZDUSSCGKSA-N 1 1 361.402 2.187 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000162185416 327019249 /nfs/dbraw/zinc/01/92/49/327019249.db2.gz QPZFSFQSUZYHLA-AWEZNQCLSA-N 1 1 371.441 2.490 20 5 FEBDMO COC(=O)[C@H](C)C[N@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000171299947 327130542 /nfs/dbraw/zinc/13/05/42/327130542.db2.gz FMGIYGJCEPDDFM-LLVKDONJSA-N 1 1 360.370 2.418 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000171299947 327130543 /nfs/dbraw/zinc/13/05/43/327130543.db2.gz FMGIYGJCEPDDFM-LLVKDONJSA-N 1 1 360.370 2.418 20 5 FEBDMO Cc1cc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000172015672 327176345 /nfs/dbraw/zinc/17/63/45/327176345.db2.gz QGUWNQCXJKUJEQ-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000172485185 327203624 /nfs/dbraw/zinc/20/36/24/327203624.db2.gz AUMPGGCGFNOZAS-WBVHZDCISA-N 1 1 371.441 2.303 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173256926 327244530 /nfs/dbraw/zinc/24/45/30/327244530.db2.gz GGWYUQHCZPLHJD-ZIAGYGMSSA-N 1 1 355.460 2.254 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173264004 327245086 /nfs/dbraw/zinc/24/50/86/327245086.db2.gz COMNPTHEIYKAHK-UKRRQHHQSA-N 1 1 355.460 2.254 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000173671327 327275345 /nfs/dbraw/zinc/27/53/45/327275345.db2.gz QOJUJTYHZOXBDY-AWEZNQCLSA-N 1 1 355.460 2.398 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000173867487 327289760 /nfs/dbraw/zinc/28/97/60/327289760.db2.gz OFKPAJSQGNECCL-MRXNPFEDSA-N 1 1 367.471 2.279 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000173952143 327297213 /nfs/dbraw/zinc/29/72/13/327297213.db2.gz LNEASLYBGFSGJQ-HNNXBMFYSA-N 1 1 355.460 2.088 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000174024196 327302412 /nfs/dbraw/zinc/30/24/12/327302412.db2.gz FMEJQVZCMCADKF-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO CCOc1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c([N+](=O)[O-])cc1OC ZINC000174508588 327331521 /nfs/dbraw/zinc/33/15/21/327331521.db2.gz MIMSOWCFGSZXAH-CYBMUJFWSA-N 1 1 365.430 2.416 20 5 FEBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000174591703 327337025 /nfs/dbraw/zinc/33/70/25/327337025.db2.gz HAKUHPYIFJHRKE-NEPJUHHUSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000174591703 327337026 /nfs/dbraw/zinc/33/70/26/327337026.db2.gz HAKUHPYIFJHRKE-NEPJUHHUSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175235559 327381778 /nfs/dbraw/zinc/38/17/78/327381778.db2.gz GQMCWSMQQTVWKY-VXGBXAGGSA-N 1 1 359.386 2.293 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000175398308 327390775 /nfs/dbraw/zinc/39/07/75/327390775.db2.gz ABTCALYLDLHBTL-GFCCVEGCSA-N 1 1 361.851 2.353 20 5 FEBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000262070526 328839904 /nfs/dbraw/zinc/83/99/04/328839904.db2.gz WTOYETCKYVTYHQ-MRXNPFEDSA-N 1 1 371.393 2.399 20 5 FEBDMO CCCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000264617563 329041307 /nfs/dbraw/zinc/04/13/07/329041307.db2.gz RKERTYWCJFDKTO-CYBMUJFWSA-N 1 1 371.441 2.447 20 5 FEBDMO COC(=O)[C@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265012789 329083231 /nfs/dbraw/zinc/08/32/31/329083231.db2.gz FYLVZKQAMVZVSU-SWLSCSKDSA-N 1 1 361.398 2.197 20 5 FEBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920581 329172733 /nfs/dbraw/zinc/17/27/33/329172733.db2.gz CAQIJLIYKIAPRA-WCQYABFASA-N 1 1 351.403 2.167 20 5 FEBDMO CN(c1ncc([N+](=O)[O-])cc1C(N)=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000266847938 329265490 /nfs/dbraw/zinc/26/54/90/329265490.db2.gz POSOXTDBFHPFHC-OAHLLOKOSA-N 1 1 369.425 2.190 20 5 FEBDMO C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000266966364 329277945 /nfs/dbraw/zinc/27/79/45/329277945.db2.gz ZSDLGIMENJKSMX-GXTWGEPZSA-N 1 1 353.423 2.026 20 5 FEBDMO Cc1ccc(NCCCNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])[nH+]c1 ZINC000267955333 329371427 /nfs/dbraw/zinc/37/14/27/329371427.db2.gz CKECTZFZTNOWMD-UHFFFAOYSA-N 1 1 372.381 2.108 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272502687 329786300 /nfs/dbraw/zinc/78/63/00/329786300.db2.gz HHPWGOVUCWYEFE-QGZVFWFLSA-N 1 1 373.457 2.118 20 5 FEBDMO Cn1cc(CCC[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272568211 329792523 /nfs/dbraw/zinc/79/25/23/329792523.db2.gz VGRKXVGIUJKEDI-QGZVFWFLSA-N 1 1 354.414 2.374 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275461344 330051210 /nfs/dbraw/zinc/05/12/10/330051210.db2.gz NHTMZDZWYHXDOW-HNNXBMFYSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821022 330208061 /nfs/dbraw/zinc/20/80/61/330208061.db2.gz SLDRKOSWJANOFC-MAUKXSAKSA-N 1 1 371.441 2.160 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000367031115 330209154 /nfs/dbraw/zinc/20/91/54/330209154.db2.gz UNHHDUWUDRTBKR-WMLDXEAASA-N 1 1 374.441 2.222 20 5 FEBDMO O=C1CC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000367078663 330214408 /nfs/dbraw/zinc/21/44/08/330214408.db2.gz CYTBQISXUPQEDK-BLLLJJGKSA-N 1 1 374.397 2.478 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000367078663 330214409 /nfs/dbraw/zinc/21/44/09/330214409.db2.gz CYTBQISXUPQEDK-BLLLJJGKSA-N 1 1 374.397 2.478 20 5 FEBDMO CCC[N@H+]1CCCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000369329610 330240193 /nfs/dbraw/zinc/24/01/93/330240193.db2.gz MSNFCPGSUMHHCN-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440840962 330276491 /nfs/dbraw/zinc/27/64/91/330276491.db2.gz CGQDLTAJVRDALB-OIBJUYFYSA-N 1 1 368.242 2.178 20 5 FEBDMO O=C(CC[N@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000156352487 545620959 /nfs/dbraw/zinc/62/09/59/545620959.db2.gz MIBHCNCWVPQFJK-OAHLLOKOSA-N 1 1 356.382 2.472 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000157306362 545726219 /nfs/dbraw/zinc/72/62/19/545726219.db2.gz QFWBOVPZEVXOOU-IUODEOHRSA-N 1 1 351.378 2.055 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000159731610 545976130 /nfs/dbraw/zinc/97/61/30/545976130.db2.gz XRIZKPDYRUEKTA-OAHLLOKOSA-N 1 1 363.439 2.499 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827424 545983905 /nfs/dbraw/zinc/98/39/05/545983905.db2.gz PQUWCRPRGYSSIF-DLBZAZTESA-N 1 1 362.474 2.343 20 5 FEBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174657627 546301953 /nfs/dbraw/zinc/30/19/53/546301953.db2.gz ZCZIUGPFQUGVAZ-CQSZACIVSA-N 1 1 358.320 2.303 20 5 FEBDMO CCc1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175788459 546350824 /nfs/dbraw/zinc/35/08/24/546350824.db2.gz KMHXIZOKUQCDJH-HNNXBMFYSA-N 1 1 371.441 2.474 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175788459 546350826 /nfs/dbraw/zinc/35/08/26/546350826.db2.gz KMHXIZOKUQCDJH-HNNXBMFYSA-N 1 1 371.441 2.474 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000175788459 546350830 /nfs/dbraw/zinc/35/08/30/546350830.db2.gz KMHXIZOKUQCDJH-HNNXBMFYSA-N 1 1 371.441 2.474 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176939556 546511277 /nfs/dbraw/zinc/51/12/77/546511277.db2.gz YUQBBTGNTSTHKR-UHFFFAOYSA-N 1 1 371.434 2.419 20 5 FEBDMO CC[C@@H](C)C[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000480705306 561214818 /nfs/dbraw/zinc/21/48/18/561214818.db2.gz RDMZJTQIBVGTRK-CYBMUJFWSA-N 1 1 355.460 2.256 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)N2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177762659 546682010 /nfs/dbraw/zinc/68/20/10/546682010.db2.gz MMUHMOANZUSMDX-UONOGXRCSA-N 1 1 362.430 2.101 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000481497219 561234205 /nfs/dbraw/zinc/23/42/05/561234205.db2.gz YDTNKIPKNQOXHN-UHFFFAOYSA-N 1 1 364.431 2.413 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737327 561240357 /nfs/dbraw/zinc/24/03/57/561240357.db2.gz CWZZAJTVSJGLJO-GDBMZVCRSA-N 1 1 352.387 2.016 20 5 FEBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180529623 547125198 /nfs/dbraw/zinc/12/51/98/547125198.db2.gz IDRANUKRJGRLDX-UHFFFAOYSA-N 1 1 357.414 2.342 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181479264 547320809 /nfs/dbraw/zinc/32/08/09/547320809.db2.gz VBYXLSHQZKBGSL-UKRRQHHQSA-N 1 1 363.462 2.259 20 5 FEBDMO Cc1ccc(C[N@H+](CCO)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000181960665 547413896 /nfs/dbraw/zinc/41/38/96/547413896.db2.gz HLUPGDRKAWFKIA-UHFFFAOYSA-N 1 1 369.421 2.287 20 5 FEBDMO Cc1ccc(C[N@@H+](CCO)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1 ZINC000181960665 547413897 /nfs/dbraw/zinc/41/38/97/547413897.db2.gz HLUPGDRKAWFKIA-UHFFFAOYSA-N 1 1 369.421 2.287 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000182767628 547549939 /nfs/dbraw/zinc/54/99/39/547549939.db2.gz RMSLLGSAWSDGAD-SNVBAGLBSA-N 1 1 356.810 2.033 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000182850996 547562006 /nfs/dbraw/zinc/56/20/06/547562006.db2.gz NUNJJZURVKYPKM-YJBOKZPZSA-N 1 1 360.458 2.203 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183204091 547619814 /nfs/dbraw/zinc/61/98/14/547619814.db2.gz MGOHDDHIHXABQA-QWRGUYRKSA-N 1 1 360.357 2.450 20 5 FEBDMO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000183453183 547663299 /nfs/dbraw/zinc/66/32/99/547663299.db2.gz FFYUYRVKZBEBAK-GOSISDBHSA-N 1 1 369.421 2.020 20 5 FEBDMO CCN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183770043 547717531 /nfs/dbraw/zinc/71/75/31/547717531.db2.gz FWYMMMZQDAZGSC-SFHVURJKSA-N 1 1 370.453 2.353 20 5 FEBDMO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183770043 547717536 /nfs/dbraw/zinc/71/75/36/547717536.db2.gz FWYMMMZQDAZGSC-SFHVURJKSA-N 1 1 370.453 2.353 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183770043 547717538 /nfs/dbraw/zinc/71/75/38/547717538.db2.gz FWYMMMZQDAZGSC-SFHVURJKSA-N 1 1 370.453 2.353 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184106104 547770804 /nfs/dbraw/zinc/77/08/04/547770804.db2.gz MFRQONHFAOCZOR-AWEZNQCLSA-N 1 1 363.414 2.051 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184106104 547770807 /nfs/dbraw/zinc/77/08/07/547770807.db2.gz MFRQONHFAOCZOR-AWEZNQCLSA-N 1 1 363.414 2.051 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000184287931 547800550 /nfs/dbraw/zinc/80/05/50/547800550.db2.gz GDZOPZOLYKBFLN-GFCCVEGCSA-N 1 1 354.838 2.004 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CC1 ZINC000186417925 548132369 /nfs/dbraw/zinc/13/23/69/548132369.db2.gz DUULUDRIIDBPSU-KRWDZBQOSA-N 1 1 369.425 2.411 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000485910242 561332185 /nfs/dbraw/zinc/33/21/85/561332185.db2.gz ZCCIRDJMAUBUAD-ZDUSSCGKSA-N 1 1 364.446 2.467 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000486514751 561349595 /nfs/dbraw/zinc/34/95/95/561349595.db2.gz FFHTVZBRHKOMLY-OAHLLOKOSA-N 1 1 350.419 2.085 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000194909516 548549506 /nfs/dbraw/zinc/54/95/06/548549506.db2.gz QWAJERKOALWYBL-ZNMIVQPWSA-N 1 1 364.446 2.406 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000194909516 548549508 /nfs/dbraw/zinc/54/95/08/548549508.db2.gz QWAJERKOALWYBL-ZNMIVQPWSA-N 1 1 364.446 2.406 20 5 FEBDMO CC[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1CCOC ZINC000486931657 561359902 /nfs/dbraw/zinc/35/99/02/561359902.db2.gz FTCDVDAWUQMBDL-AWEZNQCLSA-N 1 1 361.402 2.192 20 5 FEBDMO COc1ccc(OCC[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000195311034 548619260 /nfs/dbraw/zinc/61/92/60/548619260.db2.gz VCTFFEKEIJWZKD-GASCZTMLSA-N 1 1 367.446 2.023 20 5 FEBDMO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000245433083 548917364 /nfs/dbraw/zinc/91/73/64/548917364.db2.gz BQJNTZSBHOGNDS-UKRRQHHQSA-N 1 1 373.457 2.266 20 5 FEBDMO C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000245433083 548917367 /nfs/dbraw/zinc/91/73/67/548917367.db2.gz BQJNTZSBHOGNDS-UKRRQHHQSA-N 1 1 373.457 2.266 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000245440757 548921123 /nfs/dbraw/zinc/92/11/23/548921123.db2.gz UWFYOGDQETUCJM-BBRMVZONSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000487998460 561380862 /nfs/dbraw/zinc/38/08/62/561380862.db2.gz HSHLIKAWVOSXBF-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000487998460 561380863 /nfs/dbraw/zinc/38/08/63/561380863.db2.gz HSHLIKAWVOSXBF-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000487998460 561380864 /nfs/dbraw/zinc/38/08/64/561380864.db2.gz HSHLIKAWVOSXBF-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000246038037 549040330 /nfs/dbraw/zinc/04/03/30/549040330.db2.gz AZRWXCJAUOXMSN-ZFWWWQNUSA-N 1 1 355.460 2.254 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246054289 549041934 /nfs/dbraw/zinc/04/19/34/549041934.db2.gz XQGUWSZBQZVXJT-BXUZGUMPSA-N 1 1 363.443 2.203 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000246118461 549056818 /nfs/dbraw/zinc/05/68/18/549056818.db2.gz IWENRHNRMHNGFS-ZYHUDNBSSA-N 1 1 361.851 2.209 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1C ZINC000246256102 549090868 /nfs/dbraw/zinc/09/08/68/549090868.db2.gz SZJZWHPYXWRDBP-KGLIPLIRSA-N 1 1 355.460 2.172 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000246814679 549218973 /nfs/dbraw/zinc/21/89/73/549218973.db2.gz SDHFRMUZMVPBTJ-RVKKMQEKSA-N 1 1 361.442 2.238 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000246814679 549218978 /nfs/dbraw/zinc/21/89/78/549218978.db2.gz SDHFRMUZMVPBTJ-RVKKMQEKSA-N 1 1 361.442 2.238 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000246960748 549251565 /nfs/dbraw/zinc/25/15/65/549251565.db2.gz BQKKXQNWMJQSKH-CABCVRRESA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@H](O)CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000246960748 549251567 /nfs/dbraw/zinc/25/15/67/549251567.db2.gz BQKKXQNWMJQSKH-CABCVRRESA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@H](O)CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000246960748 549251572 /nfs/dbraw/zinc/25/15/72/549251572.db2.gz BQKKXQNWMJQSKH-CABCVRRESA-N 1 1 374.441 2.179 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1C ZINC000247154184 549291361 /nfs/dbraw/zinc/29/13/61/549291361.db2.gz KEPYHBMIPFFWNH-TZMCWYRMSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000247634135 549367253 /nfs/dbraw/zinc/36/72/53/549367253.db2.gz TYLAHUYKCMSXAD-UKRRQHHQSA-N 1 1 353.444 2.008 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000247653273 549369140 /nfs/dbraw/zinc/36/91/40/549369140.db2.gz WRGSEPJRQGGIQE-AAEUAGOBSA-N 1 1 373.862 2.353 20 5 FEBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000247687148 549371746 /nfs/dbraw/zinc/37/17/46/549371746.db2.gz SGAHHYFCFUHKHK-QGPMSJSTSA-N 1 1 360.414 2.114 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000489325755 561408229 /nfs/dbraw/zinc/40/82/29/561408229.db2.gz JONAKMVKTNYMMG-MRXNPFEDSA-N 1 1 363.414 2.184 20 5 FEBDMO CC(C)CCO[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248453343 549440767 /nfs/dbraw/zinc/44/07/67/549440767.db2.gz JXOZPOXZTYBMBG-CVEARBPZSA-N 1 1 352.431 2.472 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000248473711 549447901 /nfs/dbraw/zinc/44/79/01/549447901.db2.gz LCWXHGXICRXFQJ-SWLSCSKDSA-N 1 1 371.434 2.147 20 5 FEBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248717414 549489313 /nfs/dbraw/zinc/48/93/13/549489313.db2.gz GLCPTFWGHBLTBZ-IAGOWNOFSA-N 1 1 361.423 2.319 20 5 FEBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000248717414 549489317 /nfs/dbraw/zinc/48/93/17/549489317.db2.gz GLCPTFWGHBLTBZ-IAGOWNOFSA-N 1 1 361.423 2.319 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248918123 549528323 /nfs/dbraw/zinc/52/83/23/549528323.db2.gz WIHHHAQWLMASHY-PBHICJAKSA-N 1 1 371.441 2.127 20 5 FEBDMO Cc1ccc([C@@H](C)NC(=O)NCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000489602458 561415336 /nfs/dbraw/zinc/41/53/36/561415336.db2.gz JBHZOUWLSZXXEJ-CYBMUJFWSA-N 1 1 352.460 2.312 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000249128498 549557237 /nfs/dbraw/zinc/55/72/37/549557237.db2.gz CSDYSGUWPSCBDQ-GXTWGEPZSA-N 1 1 362.430 2.091 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000249299469 549578786 /nfs/dbraw/zinc/57/87/86/549578786.db2.gz CMNOCDFFNSYAKA-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO CC(C)[N@H+](CCO)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000268621298 550095204 /nfs/dbraw/zinc/09/52/04/550095204.db2.gz YJKMSUWAGIVGCP-UHFFFAOYSA-N 1 1 364.427 2.360 20 5 FEBDMO CC(C)[N@@H+](CCO)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000268621298 550095205 /nfs/dbraw/zinc/09/52/05/550095205.db2.gz YJKMSUWAGIVGCP-UHFFFAOYSA-N 1 1 364.427 2.360 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269653610 550214042 /nfs/dbraw/zinc/21/40/42/550214042.db2.gz MXETYGYEGOOVRF-KBPBESRZSA-N 1 1 367.413 2.304 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269653610 550214044 /nfs/dbraw/zinc/21/40/44/550214044.db2.gz MXETYGYEGOOVRF-KBPBESRZSA-N 1 1 367.413 2.304 20 5 FEBDMO CC(C)[NH+]1CCN(C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000270633446 550291100 /nfs/dbraw/zinc/29/11/00/550291100.db2.gz ORYIANIHBOMBSK-UHFFFAOYSA-N 1 1 374.485 2.154 20 5 FEBDMO COc1cc(C[NH+]2CCC(C3OCCO3)CC2)c([N+](=O)[O-])cc1OC ZINC000271142168 550344328 /nfs/dbraw/zinc/34/43/28/550344328.db2.gz FNKFGKFRLWSFEP-UHFFFAOYSA-N 1 1 352.387 2.197 20 5 FEBDMO COC(=O)c1ccc2c(c1)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000271303852 550362918 /nfs/dbraw/zinc/36/29/18/550362918.db2.gz FXYOUJUGSCQAQS-GOSISDBHSA-N 1 1 356.378 2.473 20 5 FEBDMO COC(=O)c1ccc2c(c1)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000271303852 550362919 /nfs/dbraw/zinc/36/29/19/550362919.db2.gz FXYOUJUGSCQAQS-GOSISDBHSA-N 1 1 356.378 2.473 20 5 FEBDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486026 550452438 /nfs/dbraw/zinc/45/24/38/550452438.db2.gz RMEKRDNZRBGWET-ZFWWWQNUSA-N 1 1 355.398 2.085 20 5 FEBDMO Cn1ccnc1[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272566944 550458124 /nfs/dbraw/zinc/45/81/24/550458124.db2.gz VFXFBHPWSVTLHS-KBXCAEBGSA-N 1 1 355.442 2.492 20 5 FEBDMO COc1cc(C[NH2+]CCN2CCCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272653125 550463066 /nfs/dbraw/zinc/46/30/66/550463066.db2.gz QDXZBBVAGSYGJO-UHFFFAOYSA-N 1 1 359.373 2.433 20 5 FEBDMO CCc1nn(C)c(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000273266034 550492161 /nfs/dbraw/zinc/49/21/61/550492161.db2.gz WIICZLKPJZEKQV-HNNXBMFYSA-N 1 1 359.430 2.069 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1F ZINC000273457212 550499308 /nfs/dbraw/zinc/49/93/08/550499308.db2.gz MFWFZYTXKQQJKV-CYBMUJFWSA-N 1 1 354.382 2.092 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000274913547 550564347 /nfs/dbraw/zinc/56/43/47/550564347.db2.gz KGYQPFXOWLXULL-HNNXBMFYSA-N 1 1 357.414 2.267 20 5 FEBDMO COC(=O)c1cnc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000276836086 550601378 /nfs/dbraw/zinc/60/13/78/550601378.db2.gz VTPZDADCTXEEQQ-IUODEOHRSA-N 1 1 360.414 2.230 20 5 FEBDMO CCOc1cc(CN2CCC([N@@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000276965526 550616357 /nfs/dbraw/zinc/61/63/57/550616357.db2.gz WADCOLJBWGUWML-UHFFFAOYSA-N 1 1 351.447 2.272 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000277074429 550628882 /nfs/dbraw/zinc/62/88/82/550628882.db2.gz SWAIDEJKGXFPEI-GOEBONIOSA-N 1 1 358.442 2.408 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000277420217 550668409 /nfs/dbraw/zinc/66/84/09/550668409.db2.gz CULHWVPVPZUIGM-ZDUSSCGKSA-N 1 1 361.398 2.113 20 5 FEBDMO Cc1noc(C)c1C[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000277487365 550676372 /nfs/dbraw/zinc/67/63/72/550676372.db2.gz DEBMVIXSZXCUHM-UHFFFAOYSA-N 1 1 356.386 2.398 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000277618888 550692514 /nfs/dbraw/zinc/69/25/14/550692514.db2.gz WIDUICKPUPGFGO-OAHLLOKOSA-N 1 1 362.430 2.420 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278086745 550747500 /nfs/dbraw/zinc/74/75/00/550747500.db2.gz HVAICDMDWIDWAF-CYBMUJFWSA-N 1 1 374.445 2.391 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278196199 550759537 /nfs/dbraw/zinc/75/95/37/550759537.db2.gz PIBAITMZUWMLIL-ZDUSSCGKSA-N 1 1 360.418 2.145 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278216164 550761819 /nfs/dbraw/zinc/76/18/19/550761819.db2.gz RNPBDPZTAGXAEZ-GFCCVEGCSA-N 1 1 355.822 2.479 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000279244620 550869137 /nfs/dbraw/zinc/86/91/37/550869137.db2.gz QUSFNDQYOZCGCG-UONOGXRCSA-N 1 1 350.394 2.157 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000279342877 550879783 /nfs/dbraw/zinc/87/97/83/550879783.db2.gz PXHUDKWANMJAFF-YVEFUNNKSA-N 1 1 363.414 2.431 20 5 FEBDMO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000279672470 550915416 /nfs/dbraw/zinc/91/54/16/550915416.db2.gz FQFQVZPGDQMKSI-RDJZCZTQSA-N 1 1 361.421 2.373 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280355259 550984398 /nfs/dbraw/zinc/98/43/98/550984398.db2.gz JJPZAFVWYWDYEC-ACJLOTCBSA-N 1 1 363.414 2.112 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC000280986085 551052247 /nfs/dbraw/zinc/05/22/47/551052247.db2.gz PYBGDFZTQWBQJW-UHFFFAOYSA-N 1 1 372.425 2.355 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281010082 551054616 /nfs/dbraw/zinc/05/46/16/551054616.db2.gz OOTOEAXCRBUESK-KRWDZBQOSA-N 1 1 374.441 2.447 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCO1 ZINC000281523803 551108896 /nfs/dbraw/zinc/10/88/96/551108896.db2.gz VSMVKFTZZQQFHR-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ncnn1C(C)(C)C ZINC000282702923 551261428 /nfs/dbraw/zinc/26/14/28/551261428.db2.gz KZEQESSLUWHNKH-GFCCVEGCSA-N 1 1 360.418 2.448 20 5 FEBDMO COC(=O)[C@]1(C)C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000282803430 551272203 /nfs/dbraw/zinc/27/22/03/551272203.db2.gz QWELMBAGUCEXJS-SUFBMKPHSA-N 1 1 363.414 2.361 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000498566275 561528616 /nfs/dbraw/zinc/52/86/16/561528616.db2.gz DQFWDDXETAGUKE-NEPJUHHUSA-N 1 1 358.398 2.403 20 5 FEBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285028713 551692883 /nfs/dbraw/zinc/69/28/83/551692883.db2.gz ZZNFLPWYBIAESJ-OAHLLOKOSA-N 1 1 363.414 2.342 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285319290 551737248 /nfs/dbraw/zinc/73/72/48/551737248.db2.gz RDMKOXGZWQUQPF-CFSAUIFESA-N 1 1 365.817 2.193 20 5 FEBDMO O=[N+]([O-])c1ccn(CCN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000285453166 551758951 /nfs/dbraw/zinc/75/89/51/551758951.db2.gz GKGWOZRPKTWUKW-LJQANCHMSA-N 1 1 355.442 2.389 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287488040 552010602 /nfs/dbraw/zinc/01/06/02/552010602.db2.gz SPXYBOVXDLIPHD-OAHLLOKOSA-N 1 1 374.441 2.176 20 5 FEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000287505309 552013072 /nfs/dbraw/zinc/01/30/72/552013072.db2.gz URHTVVNYIQBNPE-QGZVFWFLSA-N 1 1 360.458 2.404 20 5 FEBDMO CCc1nn(C)c(NCc2ccc(C[NH+]3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC000288062768 552083533 /nfs/dbraw/zinc/08/35/33/552083533.db2.gz GDILPHOYFNDWSC-UHFFFAOYSA-N 1 1 372.473 2.250 20 5 FEBDMO CN(C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288476634 552159843 /nfs/dbraw/zinc/15/98/43/552159843.db2.gz NABLCWYTUJZARW-ONXXMXGDSA-N 1 1 372.429 2.238 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000289893936 552395484 /nfs/dbraw/zinc/39/54/84/552395484.db2.gz TYLFVOZDGFLLBY-CHWSQXEVSA-N 1 1 350.419 2.076 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000289910824 552398025 /nfs/dbraw/zinc/39/80/25/552398025.db2.gz VAFKMVRBMXZDFF-CYBMUJFWSA-N 1 1 364.446 2.466 20 5 FEBDMO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000500808009 561583086 /nfs/dbraw/zinc/58/30/86/561583086.db2.gz LIIZSAYAVYERBK-HUUCEWRRSA-N 1 1 369.487 2.320 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000500936235 561586057 /nfs/dbraw/zinc/58/60/57/561586057.db2.gz PSPITJIJRSTUBK-GDBMZVCRSA-N 1 1 369.487 2.272 20 5 FEBDMO C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000290575521 552500617 /nfs/dbraw/zinc/50/06/17/552500617.db2.gz UXUJSOIJXIBSQB-SNVBAGLBSA-N 1 1 361.427 2.009 20 5 FEBDMO C[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000290575521 552500620 /nfs/dbraw/zinc/50/06/20/552500620.db2.gz UXUJSOIJXIBSQB-SNVBAGLBSA-N 1 1 361.427 2.009 20 5 FEBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000292178042 552701618 /nfs/dbraw/zinc/70/16/18/552701618.db2.gz JFIDAVGSUBCBBJ-KRWDZBQOSA-N 1 1 371.441 2.210 20 5 FEBDMO C[C@@H]1C[C@@H](CCNC(=O)c2c([N+](=O)[O-])cnn2C)C[N@H+]1Cc1ccccc1 ZINC000501477704 561598341 /nfs/dbraw/zinc/59/83/41/561598341.db2.gz UDEHGCRXQBJVQF-GDBMZVCRSA-N 1 1 371.441 2.359 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292703296 552750901 /nfs/dbraw/zinc/75/09/01/552750901.db2.gz DLVLENLVLZFJFO-MRXNPFEDSA-N 1 1 371.434 2.149 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292725226 552752660 /nfs/dbraw/zinc/75/26/60/552752660.db2.gz GCQSWZOQBVEDLO-INIZCTEOSA-N 1 1 353.444 2.010 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CO)CC1 ZINC000293250447 552803420 /nfs/dbraw/zinc/80/34/20/552803420.db2.gz TWOFHINWDTUBIY-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CO)CC1 ZINC000293250447 552803421 /nfs/dbraw/zinc/80/34/21/552803421.db2.gz TWOFHINWDTUBIY-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000293455030 552825740 /nfs/dbraw/zinc/82/57/40/552825740.db2.gz QCORRITUDUZMNV-ZDUSSCGKSA-N 1 1 374.441 2.175 20 5 FEBDMO C[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706833 552848907 /nfs/dbraw/zinc/84/89/07/552848907.db2.gz LRKNROJAIOEZDJ-RDTXWAMCSA-N 1 1 370.453 2.247 20 5 FEBDMO C[C@@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293706833 552848908 /nfs/dbraw/zinc/84/89/08/552848908.db2.gz LRKNROJAIOEZDJ-RDTXWAMCSA-N 1 1 370.453 2.247 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c(C)cc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000293771658 552855094 /nfs/dbraw/zinc/85/50/94/552855094.db2.gz AVIWKWFNAZHGCL-LSDHHAIUSA-N 1 1 367.833 2.492 20 5 FEBDMO COc1cc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000294419445 552904848 /nfs/dbraw/zinc/90/48/48/552904848.db2.gz KIZDNVJEQYOYIP-JTQLQIEISA-N 1 1 350.350 2.314 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000295024282 552952052 /nfs/dbraw/zinc/95/20/52/552952052.db2.gz HSOUBACLWCVLIK-UHFFFAOYSA-N 1 1 350.394 2.110 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295276991 552980660 /nfs/dbraw/zinc/98/06/60/552980660.db2.gz KEKCSQJZGIFQBS-LBPRGKRZSA-N 1 1 369.849 2.474 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295276991 552980662 /nfs/dbraw/zinc/98/06/62/552980662.db2.gz KEKCSQJZGIFQBS-LBPRGKRZSA-N 1 1 369.849 2.474 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(SC)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000502503191 561619892 /nfs/dbraw/zinc/61/98/92/561619892.db2.gz UAFGBYOXTUDORZ-JKSUJKDBSA-N 1 1 365.455 2.252 20 5 FEBDMO COC[C@]1(C)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000296661421 553194843 /nfs/dbraw/zinc/19/48/43/553194843.db2.gz JXPDSBFPQVOWGA-QGZVFWFLSA-N 1 1 351.403 2.290 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296853376 553220771 /nfs/dbraw/zinc/22/07/71/553220771.db2.gz ORZPDUCVSAXQIX-KBPBESRZSA-N 1 1 364.446 2.142 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000299446237 553564439 /nfs/dbraw/zinc/56/44/39/553564439.db2.gz YSLARNJSLWDUDI-ZBFHGGJFSA-N 1 1 374.441 2.093 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000299481572 553569306 /nfs/dbraw/zinc/56/93/06/553569306.db2.gz ZLDCASFRFUTYHO-IBGZPJMESA-N 1 1 374.441 2.094 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000299581822 553584550 /nfs/dbraw/zinc/58/45/50/553584550.db2.gz HSFSTMPUJBBBHC-ZBFHGGJFSA-N 1 1 374.441 2.093 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000319244845 553763635 /nfs/dbraw/zinc/76/36/35/553763635.db2.gz XGFMSFTWORECDP-JTQLQIEISA-N 1 1 369.219 2.063 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000319244845 553763636 /nfs/dbraw/zinc/76/36/36/553763636.db2.gz XGFMSFTWORECDP-JTQLQIEISA-N 1 1 369.219 2.063 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000325214148 553775294 /nfs/dbraw/zinc/77/52/94/553775294.db2.gz NUUJOQDKIHCGOI-LBPRGKRZSA-N 1 1 373.862 2.415 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000507552108 561732882 /nfs/dbraw/zinc/73/28/82/561732882.db2.gz PDISHXOADPHHGN-OAHLLOKOSA-N 1 1 363.458 2.490 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330429086 554120602 /nfs/dbraw/zinc/12/06/02/554120602.db2.gz ICPNKUJJGFFUKP-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000330492929 554128768 /nfs/dbraw/zinc/12/87/68/554128768.db2.gz RTVNIKKSORNHTF-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000330788932 554171837 /nfs/dbraw/zinc/17/18/37/554171837.db2.gz RFMLPSWRLVQRRI-TXEJJXNPSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000330788932 554171838 /nfs/dbraw/zinc/17/18/38/554171838.db2.gz RFMLPSWRLVQRRI-TXEJJXNPSA-N 1 1 351.403 2.167 20 5 FEBDMO O=C(N1CCCC1)[C@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331709936 554312825 /nfs/dbraw/zinc/31/28/25/554312825.db2.gz FFQLEMUBKVMXBQ-KRWDZBQOSA-N 1 1 367.833 2.198 20 5 FEBDMO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331709936 554312827 /nfs/dbraw/zinc/31/28/27/554312827.db2.gz FFQLEMUBKVMXBQ-KRWDZBQOSA-N 1 1 367.833 2.198 20 5 FEBDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332070977 554374192 /nfs/dbraw/zinc/37/41/92/554374192.db2.gz WNVMIEFRABIILV-NFAWXSAZSA-N 1 1 363.414 2.374 20 5 FEBDMO CC(C)[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+]1C ZINC000332226160 554405044 /nfs/dbraw/zinc/40/50/44/554405044.db2.gz ODWHJPNIYSRGBH-INIZCTEOSA-N 1 1 358.398 2.261 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000511013931 561854019 /nfs/dbraw/zinc/85/40/19/561854019.db2.gz PPGKSGGRMIDKDF-LBPRGKRZSA-N 1 1 361.851 2.401 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCN1C(=O)c2ccccc2C1=O ZINC000511072256 561855784 /nfs/dbraw/zinc/85/57/84/561855784.db2.gz DFPZHYIJIPLNIQ-UHFFFAOYSA-N 1 1 353.378 2.365 20 5 FEBDMO COC(=O)c1cccc(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511105029 561857111 /nfs/dbraw/zinc/85/71/11/561857111.db2.gz HYHUPPZNVIEUTQ-UHFFFAOYSA-N 1 1 371.393 2.494 20 5 FEBDMO COC(=O)c1cccc(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000511105029 561857112 /nfs/dbraw/zinc/85/71/12/561857112.db2.gz HYHUPPZNVIEUTQ-UHFFFAOYSA-N 1 1 371.393 2.494 20 5 FEBDMO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(COc3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000350350421 554781872 /nfs/dbraw/zinc/78/18/72/554781872.db2.gz ILIFYXJQOCWFMP-YOEHRIQHSA-N 1 1 360.370 2.483 20 5 FEBDMO C[C@@]12CCC[N@H+]1C[C@@H](c1noc(COc3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000350350421 554781876 /nfs/dbraw/zinc/78/18/76/554781876.db2.gz ILIFYXJQOCWFMP-YOEHRIQHSA-N 1 1 360.370 2.483 20 5 FEBDMO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(COc3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000350350418 554781961 /nfs/dbraw/zinc/78/19/61/554781961.db2.gz ILIFYXJQOCWFMP-PBHICJAKSA-N 1 1 360.370 2.483 20 5 FEBDMO C[C@@]12CCC[N@H+]1C[C@H](c1noc(COc3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000350350418 554781963 /nfs/dbraw/zinc/78/19/63/554781963.db2.gz ILIFYXJQOCWFMP-PBHICJAKSA-N 1 1 360.370 2.483 20 5 FEBDMO Cn1nccc1[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000360305940 554870291 /nfs/dbraw/zinc/87/02/91/554870291.db2.gz OWHYVCLTPJXBBB-HNNXBMFYSA-N 1 1 369.425 2.097 20 5 FEBDMO Cn1nccc1[C@H]1CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000360305940 554870293 /nfs/dbraw/zinc/87/02/93/554870293.db2.gz OWHYVCLTPJXBBB-HNNXBMFYSA-N 1 1 369.425 2.097 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361016230 554900314 /nfs/dbraw/zinc/90/03/14/554900314.db2.gz AFYUJROKACDGMF-XHSDSOJGSA-N 1 1 359.426 2.306 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000362741486 554985875 /nfs/dbraw/zinc/98/58/75/554985875.db2.gz MWKOKZCVFZSGHF-ZDUSSCGKSA-N 1 1 355.398 2.214 20 5 FEBDMO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363118324 555034132 /nfs/dbraw/zinc/03/41/32/555034132.db2.gz WKSIVGKUUODFLQ-WBIUFABUSA-N 1 1 351.353 2.429 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363259326 555066229 /nfs/dbraw/zinc/06/62/29/555066229.db2.gz NCHXNLKKUPHLNY-LZWOXQAQSA-N 1 1 365.455 2.008 20 5 FEBDMO O=[N+]([O-])c1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414027 555100106 /nfs/dbraw/zinc/10/01/06/555100106.db2.gz JGVNAQGTPCEILX-NJAFHUGGSA-N 1 1 359.426 2.377 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659166 555157717 /nfs/dbraw/zinc/15/77/17/555157717.db2.gz GKZHKNRVBBTOIF-VYDXJSESSA-N 1 1 358.442 2.340 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659166 555157720 /nfs/dbraw/zinc/15/77/20/555157720.db2.gz GKZHKNRVBBTOIF-VYDXJSESSA-N 1 1 358.442 2.340 20 5 FEBDMO COCC[C@H]1CCCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364138648 555257115 /nfs/dbraw/zinc/25/71/15/555257115.db2.gz KIWLXWSLAPYLJM-NVXWUHKLSA-N 1 1 352.431 2.473 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2cccnc2)n1 ZINC000364328429 555292193 /nfs/dbraw/zinc/29/21/93/555292193.db2.gz NJDCKSTXOTWYMM-INIZCTEOSA-N 1 1 367.413 2.424 20 5 FEBDMO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345056 555295364 /nfs/dbraw/zinc/29/53/64/555295364.db2.gz ZVBWPKVZCORNSH-SJLPKXTDSA-N 1 1 369.425 2.448 20 5 FEBDMO O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345056 555295366 /nfs/dbraw/zinc/29/53/66/555295366.db2.gz ZVBWPKVZCORNSH-SJLPKXTDSA-N 1 1 369.425 2.448 20 5 FEBDMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345262 555296134 /nfs/dbraw/zinc/29/61/34/555296134.db2.gz UYCJBFPHVHGMHM-ZACQAIPSSA-N 1 1 363.458 2.453 20 5 FEBDMO COCCN(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000364859455 555417450 /nfs/dbraw/zinc/41/74/50/555417450.db2.gz NRXUSMYVFWQKMR-INIZCTEOSA-N 1 1 374.445 2.106 20 5 FEBDMO COCCN(C)c1ccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000364859455 555417452 /nfs/dbraw/zinc/41/74/52/555417452.db2.gz NRXUSMYVFWQKMR-INIZCTEOSA-N 1 1 374.445 2.106 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364871196 555421075 /nfs/dbraw/zinc/42/10/75/555421075.db2.gz JZFHOZLNJDCVCR-CABCVRRESA-N 1 1 369.368 2.056 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000364871196 555421079 /nfs/dbraw/zinc/42/10/79/555421079.db2.gz JZFHOZLNJDCVCR-CABCVRRESA-N 1 1 369.368 2.056 20 5 FEBDMO Cn1nccc1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163019 555499126 /nfs/dbraw/zinc/49/91/26/555499126.db2.gz NBLOSKRXFXPBPB-KDOFPFPSSA-N 1 1 369.425 2.313 20 5 FEBDMO Cn1nccc1[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163019 555499127 /nfs/dbraw/zinc/49/91/27/555499127.db2.gz NBLOSKRXFXPBPB-KDOFPFPSSA-N 1 1 369.425 2.313 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540001 555603263 /nfs/dbraw/zinc/60/32/63/555603263.db2.gz QIYLJPRKCHPRIH-FHLIZLRMSA-N 1 1 361.442 2.143 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365549705 555605630 /nfs/dbraw/zinc/60/56/30/555605630.db2.gz HROWPYNWBLUJER-IMJJTQAJSA-N 1 1 365.455 2.008 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365621443 555624737 /nfs/dbraw/zinc/62/47/37/555624737.db2.gz DPZOFCSTPCOTDT-CYBMUJFWSA-N 1 1 373.413 2.155 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513698248 561946992 /nfs/dbraw/zinc/94/69/92/561946992.db2.gz YFVSOQBUJRBVGD-YOEHRIQHSA-N 1 1 352.398 2.288 20 5 FEBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@H]12 ZINC000366478516 555856222 /nfs/dbraw/zinc/85/62/22/555856222.db2.gz FCCOHQOFPLFMNW-GXTWGEPZSA-N 1 1 371.418 2.418 20 5 FEBDMO O=C1NC(=O)[C@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@@H]12 ZINC000366482906 555856816 /nfs/dbraw/zinc/85/68/16/555856816.db2.gz OQJWCRRHJNRSLE-CABCVRRESA-N 1 1 371.418 2.418 20 5 FEBDMO CC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366567403 555877796 /nfs/dbraw/zinc/87/77/96/555877796.db2.gz CQUUFOUFSDCCMG-KSSFIOAISA-N 1 1 366.414 2.252 20 5 FEBDMO CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366567403 555877797 /nfs/dbraw/zinc/87/77/97/555877797.db2.gz CQUUFOUFSDCCMG-KSSFIOAISA-N 1 1 366.414 2.252 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000366730914 555920032 /nfs/dbraw/zinc/92/00/32/555920032.db2.gz FHLKWYBKGXVLDA-INIZCTEOSA-N 1 1 365.430 2.358 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000366730914 555920036 /nfs/dbraw/zinc/92/00/36/555920036.db2.gz FHLKWYBKGXVLDA-INIZCTEOSA-N 1 1 365.430 2.358 20 5 FEBDMO Nc1nccc([C@@H]2CCC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366991763 555991404 /nfs/dbraw/zinc/99/14/04/555991404.db2.gz ZRZWMUJGWBCWJU-CQSZACIVSA-N 1 1 357.414 2.616 20 5 FEBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000514640660 561971250 /nfs/dbraw/zinc/97/12/50/561971250.db2.gz YSLNAYSHRUKLBR-HNNXBMFYSA-N 1 1 363.462 2.155 20 5 FEBDMO Cn1cccc1C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000367297433 556010910 /nfs/dbraw/zinc/01/09/10/556010910.db2.gz BILPBRUZGPJRIE-UHFFFAOYSA-N 1 1 360.389 2.467 20 5 FEBDMO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000515216821 562001276 /nfs/dbraw/zinc/00/12/76/562001276.db2.gz PMPBCRTVMBUXRQ-KGLIPLIRSA-N 1 1 355.460 2.277 20 5 FEBDMO CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368847643 556428259 /nfs/dbraw/zinc/42/82/59/556428259.db2.gz YVOJBAKOJYNOPT-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000369266386 556555587 /nfs/dbraw/zinc/55/55/87/556555587.db2.gz LRRDUFSHFFGFBY-CQSZACIVSA-N 1 1 373.457 2.060 20 5 FEBDMO C[NH+]1CCC(N2CC[C@@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000369266386 556555591 /nfs/dbraw/zinc/55/55/91/556555591.db2.gz LRRDUFSHFFGFBY-CQSZACIVSA-N 1 1 373.457 2.060 20 5 FEBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000369855102 556713500 /nfs/dbraw/zinc/71/35/00/556713500.db2.gz CKKAFCKCBMSSRC-SFHVURJKSA-N 1 1 363.414 2.193 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(c2ncccn2)CC1 ZINC000370081491 556775751 /nfs/dbraw/zinc/77/57/51/556775751.db2.gz GEZDIBSFVJEEPK-UHFFFAOYSA-N 1 1 357.414 2.364 20 5 FEBDMO Cc1cnn([C@H]2CC[N@@H+](CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)C2)c1 ZINC000516999390 562070208 /nfs/dbraw/zinc/07/02/08/562070208.db2.gz PSVCVFCQUVFDRU-HNNXBMFYSA-N 1 1 371.397 2.345 20 5 FEBDMO Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000370924316 557017833 /nfs/dbraw/zinc/01/78/33/557017833.db2.gz RMOQEVBCKPICLQ-PBHICJAKSA-N 1 1 357.414 2.141 20 5 FEBDMO Nc1c(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cccc1[N+](=O)[O-] ZINC000371253410 557120492 /nfs/dbraw/zinc/12/04/92/557120492.db2.gz JXLBXPIFOMRJJA-HWWDLCQESA-N 1 1 352.394 2.037 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000371334904 557151260 /nfs/dbraw/zinc/15/12/60/557151260.db2.gz HPMBAZZGAIRSPJ-CQSZACIVSA-N 1 1 363.462 2.445 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000517555654 562092360 /nfs/dbraw/zinc/09/23/60/562092360.db2.gz UMVFVIIPWFMHNK-KRWDZBQOSA-N 1 1 356.382 2.175 20 5 FEBDMO CN(C)C(=O)c1cccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372281504 557428312 /nfs/dbraw/zinc/42/83/12/557428312.db2.gz IVNWVOVQPUGPJK-INIZCTEOSA-N 1 1 357.414 2.330 20 5 FEBDMO CN(C)C(=O)c1cccc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000372281504 557428315 /nfs/dbraw/zinc/42/83/15/557428315.db2.gz IVNWVOVQPUGPJK-INIZCTEOSA-N 1 1 357.414 2.330 20 5 FEBDMO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372289051 557430828 /nfs/dbraw/zinc/43/08/28/557430828.db2.gz NUINORDQLCUDAD-GDBMZVCRSA-N 1 1 369.425 2.406 20 5 FEBDMO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372289051 557430831 /nfs/dbraw/zinc/43/08/31/557430831.db2.gz NUINORDQLCUDAD-GDBMZVCRSA-N 1 1 369.425 2.406 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000373289333 557666014 /nfs/dbraw/zinc/66/60/14/557666014.db2.gz QDXGEVMMCODEON-NHYWBVRUSA-N 1 1 361.427 2.288 20 5 FEBDMO CC(C)NC(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000373672498 557735561 /nfs/dbraw/zinc/73/55/61/557735561.db2.gz IEPDOFADDIGQBG-GJZGRUSLSA-N 1 1 362.430 2.008 20 5 FEBDMO O=C(NC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccco1 ZINC000374566653 557900623 /nfs/dbraw/zinc/90/06/23/557900623.db2.gz RMPPBYKRUGKAKL-RHSMWYFYSA-N 1 1 373.409 2.363 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OC)CC1 ZINC000374666470 557914069 /nfs/dbraw/zinc/91/40/69/557914069.db2.gz UYCFUKQYKQVURF-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](OC)CC1 ZINC000374666470 557914070 /nfs/dbraw/zinc/91/40/70/557914070.db2.gz UYCFUKQYKQVURF-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000374884244 557945932 /nfs/dbraw/zinc/94/59/32/557945932.db2.gz YLAURDSHYCMAAR-UHFFFAOYSA-N 1 1 361.402 2.432 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000375206106 557991809 /nfs/dbraw/zinc/99/18/09/557991809.db2.gz HDLYMVUGJDRZOQ-AWEZNQCLSA-N 1 1 353.444 2.031 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c1F ZINC000375224286 557994603 /nfs/dbraw/zinc/99/46/03/557994603.db2.gz YYSGAVVZNMCPSB-GXTWGEPZSA-N 1 1 351.378 2.025 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c1F ZINC000375224286 557994604 /nfs/dbraw/zinc/99/46/04/557994604.db2.gz YYSGAVVZNMCPSB-GXTWGEPZSA-N 1 1 351.378 2.025 20 5 FEBDMO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375351619 558013785 /nfs/dbraw/zinc/01/37/85/558013785.db2.gz DNFRBWJRJAJOND-DRZCJDIDSA-N 1 1 371.397 2.353 20 5 FEBDMO O=C(c1cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556450 558048105 /nfs/dbraw/zinc/04/81/05/558048105.db2.gz GWTHREZWGCYTHZ-HZPDHXFCSA-N 1 1 374.441 2.106 20 5 FEBDMO COc1ccccc1N1CC[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000375673972 558066023 /nfs/dbraw/zinc/06/60/23/558066023.db2.gz RROSFBMSDMZVNN-OAHLLOKOSA-N 1 1 359.430 2.401 20 5 FEBDMO O=C1[C@H]([NH+]2CCC(c3cn[nH]c3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000375791378 558080232 /nfs/dbraw/zinc/08/02/32/558080232.db2.gz KECRUNAHMGGQCB-QGZVFWFLSA-N 1 1 355.398 2.303 20 5 FEBDMO O=c1[nH]c(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)nc2ccc([N+](=O)[O-])cc21 ZINC000376218955 558143486 /nfs/dbraw/zinc/14/34/86/558143486.db2.gz LWGVMNAJYQIDPT-HZUKXOBISA-N 1 1 355.398 2.164 20 5 FEBDMO COCC[C@H]1CCCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376376886 558165090 /nfs/dbraw/zinc/16/50/90/558165090.db2.gz QEJGUSMLHHXBIN-CVEARBPZSA-N 1 1 352.431 2.473 20 5 FEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnnn3-c3ccccc3)CC2)n1 ZINC000377607855 558376601 /nfs/dbraw/zinc/37/66/01/558376601.db2.gz QBLRQXJKJYMIAR-UHFFFAOYSA-N 1 1 353.386 2.209 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000377837640 558432077 /nfs/dbraw/zinc/43/20/77/558432077.db2.gz PMRZMUAPHIBILB-GJYPPUQNSA-N 1 1 366.421 2.433 20 5 FEBDMO COc1ccc([C@@H]2[C@@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000378306843 558525357 /nfs/dbraw/zinc/52/53/57/558525357.db2.gz AGFQXKIVIJOOPJ-CXAGYDPISA-N 1 1 373.413 2.139 20 5 FEBDMO COc1ccc([C@@H]2[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000378306843 558525358 /nfs/dbraw/zinc/52/53/58/558525358.db2.gz AGFQXKIVIJOOPJ-CXAGYDPISA-N 1 1 373.413 2.139 20 5 FEBDMO COc1ccc([C@@H]2[C@@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000378306843 558525360 /nfs/dbraw/zinc/52/53/60/558525360.db2.gz AGFQXKIVIJOOPJ-CXAGYDPISA-N 1 1 373.413 2.139 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](O)c3ccccc3C2)c1 ZINC000378495748 558569457 /nfs/dbraw/zinc/56/94/57/558569457.db2.gz MLYHAZUWIMOACI-APWZRJJASA-N 1 1 358.394 2.274 20 5 FEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(c2cnccn2)CC1 ZINC000378555490 558582107 /nfs/dbraw/zinc/58/21/07/558582107.db2.gz DEWZCBAMWNEZON-UHFFFAOYSA-N 1 1 372.385 2.394 20 5 FEBDMO Cc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408299398 558664901 /nfs/dbraw/zinc/66/49/01/558664901.db2.gz TUPZFTRDBVTRSQ-NSHDSACASA-N 1 1 356.220 2.187 20 5 FEBDMO Cc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408299398 558664902 /nfs/dbraw/zinc/66/49/02/558664902.db2.gz TUPZFTRDBVTRSQ-NSHDSACASA-N 1 1 356.220 2.187 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000524719279 562233024 /nfs/dbraw/zinc/23/30/24/562233024.db2.gz AUWMQLJMAAEINZ-CYBMUJFWSA-N 1 1 357.414 2.067 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000524869520 562236476 /nfs/dbraw/zinc/23/64/76/562236476.db2.gz LUQSIUPAOHSXPM-OLZOCXBDSA-N 1 1 371.459 2.097 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1F ZINC000411144643 558844856 /nfs/dbraw/zinc/84/48/56/558844856.db2.gz AGJHSSQQSGWQSF-ZDUSSCGKSA-N 1 1 365.361 2.297 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000525385595 562247019 /nfs/dbraw/zinc/24/70/19/562247019.db2.gz CJSBUOTVBNKJHG-KBPBESRZSA-N 1 1 355.460 2.397 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000411498625 558905812 /nfs/dbraw/zinc/90/58/12/558905812.db2.gz PJXQQEURIVRTIQ-GFCCVEGCSA-N 1 1 361.402 2.359 20 5 FEBDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411617228 558930058 /nfs/dbraw/zinc/93/00/58/558930058.db2.gz KOKKIEBKJKQZAW-PVUWLOKVSA-N 1 1 361.398 2.197 20 5 FEBDMO COc1ccc(NC(=O)CCN(C)[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000411858295 558977844 /nfs/dbraw/zinc/97/78/44/558977844.db2.gz CQAVTBGXCIRQNU-AWEZNQCLSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000411858295 558977845 /nfs/dbraw/zinc/97/78/45/558977845.db2.gz CQAVTBGXCIRQNU-AWEZNQCLSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCN(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000411858295 558977846 /nfs/dbraw/zinc/97/78/46/558977846.db2.gz CQAVTBGXCIRQNU-AWEZNQCLSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412076055 559010080 /nfs/dbraw/zinc/01/00/80/559010080.db2.gz JJBGLKXNNIHUEU-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1F ZINC000412289089 559025234 /nfs/dbraw/zinc/02/52/34/559025234.db2.gz GWJFJYUYIQUACR-CYBMUJFWSA-N 1 1 365.405 2.418 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412393697 559033015 /nfs/dbraw/zinc/03/30/15/559033015.db2.gz DYGVLHLLULBHAV-LBPRGKRZSA-N 1 1 353.394 2.228 20 5 FEBDMO CC[NH+]1CCN([C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)CC1 ZINC000413128000 559080987 /nfs/dbraw/zinc/08/09/87/559080987.db2.gz CJFQUMFBKUAAAN-OAHLLOKOSA-N 1 1 355.442 2.359 20 5 FEBDMO CN(C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)(C)C[NH+]1CCOCC1 ZINC000414043943 559148767 /nfs/dbraw/zinc/14/87/67/559148767.db2.gz RJUBQHGCYDIFQJ-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000414468595 559166707 /nfs/dbraw/zinc/16/67/07/559166707.db2.gz KOQPFFAWPCHMGV-GFCCVEGCSA-N 1 1 366.443 2.331 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000416409009 559310694 /nfs/dbraw/zinc/31/06/94/559310694.db2.gz TVJMLSKDQGJGHW-UONOGXRCSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1C ZINC000416505243 559318403 /nfs/dbraw/zinc/31/84/03/559318403.db2.gz CDIAZPDLRZGWOF-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000417157951 559350349 /nfs/dbraw/zinc/35/03/49/559350349.db2.gz VLOVTKXKCUYTKE-QWHCGFSZSA-N 1 1 350.419 2.076 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000417157951 559350350 /nfs/dbraw/zinc/35/03/50/559350350.db2.gz VLOVTKXKCUYTKE-QWHCGFSZSA-N 1 1 350.419 2.076 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000419010158 559425323 /nfs/dbraw/zinc/42/53/23/559425323.db2.gz XJMKQQGOLSNKRG-QWRGUYRKSA-N 1 1 358.236 2.249 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419338566 559438086 /nfs/dbraw/zinc/43/80/86/559438086.db2.gz LJICXLLJDUJAHX-CABCVRRESA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H]1CN(CCO)[C@@H](C)C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419338566 559438087 /nfs/dbraw/zinc/43/80/87/559438087.db2.gz LJICXLLJDUJAHX-CABCVRRESA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H]1CN(CCO)[C@@H](C)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419338566 559438088 /nfs/dbraw/zinc/43/80/88/559438088.db2.gz LJICXLLJDUJAHX-CABCVRRESA-N 1 1 374.441 2.179 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329554 559481021 /nfs/dbraw/zinc/48/10/21/559481021.db2.gz OQZLDVIWNRLGBK-GJZGRUSLSA-N 1 1 357.414 2.466 20 5 FEBDMO CC1(C)C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](CO)O1 ZINC000420932100 559512287 /nfs/dbraw/zinc/51/22/87/559512287.db2.gz HBCJALKUQDKFBI-OAHLLOKOSA-N 1 1 361.398 2.264 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421023077 559520137 /nfs/dbraw/zinc/52/01/37/559520137.db2.gz VVWFMKMRWZBPQZ-AWEZNQCLSA-N 1 1 365.430 2.417 20 5 FEBDMO COc1ccc(-c2ccc(C[N@@H+](C[C@H](O)CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000421414655 559541863 /nfs/dbraw/zinc/54/18/63/559541863.db2.gz ZVRVSALMOJMWSW-ZDUSSCGKSA-N 1 1 364.398 2.427 20 5 FEBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423977913 559648868 /nfs/dbraw/zinc/64/88/68/559648868.db2.gz WDYLPSGOCKPLIK-SFHVURJKSA-N 1 1 369.425 2.355 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000424981690 559682066 /nfs/dbraw/zinc/68/20/66/559682066.db2.gz BXJRAHZKOJEVFD-ZDUSSCGKSA-N 1 1 367.421 2.407 20 5 FEBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000425076352 559686322 /nfs/dbraw/zinc/68/63/22/559686322.db2.gz FRPGCKZJYUIVOL-UHFFFAOYSA-N 1 1 350.404 2.183 20 5 FEBDMO CC[C@@]1(CO)CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000426465769 559735100 /nfs/dbraw/zinc/73/51/00/559735100.db2.gz BYDVGRIHDNFVSK-GOSISDBHSA-N 1 1 363.414 2.377 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000427378083 559754463 /nfs/dbraw/zinc/75/44/63/559754463.db2.gz ADKHZMQCXYWLFK-HOCLYGCPSA-N 1 1 371.441 2.452 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000427378079 559754476 /nfs/dbraw/zinc/75/44/76/559754476.db2.gz ADKHZMQCXYWLFK-GDBMZVCRSA-N 1 1 371.441 2.452 20 5 FEBDMO CNc1c(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428543315 559777804 /nfs/dbraw/zinc/77/78/04/559777804.db2.gz WEULAQKTHBGKDK-OAHLLOKOSA-N 1 1 370.409 2.455 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000428555044 559778247 /nfs/dbraw/zinc/77/82/47/559778247.db2.gz WJAQREWAVVJUHH-MRXNPFEDSA-N 1 1 371.393 2.422 20 5 FEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999076 559787720 /nfs/dbraw/zinc/78/77/20/559787720.db2.gz RZQLDYXJVNAMAG-IIDMSEBBSA-N 1 1 360.458 2.220 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429769268 559805279 /nfs/dbraw/zinc/80/52/79/559805279.db2.gz CAEQJJGJCGLZQZ-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434779912 559909146 /nfs/dbraw/zinc/90/91/46/559909146.db2.gz XYZGBWPRUDETFK-MRXNPFEDSA-N 1 1 367.471 2.074 20 5 FEBDMO C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000434909749 559912201 /nfs/dbraw/zinc/91/22/01/559912201.db2.gz PXGKAULAPIMZIR-MOPGFXCFSA-N 1 1 358.442 2.497 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000438945291 559985996 /nfs/dbraw/zinc/98/59/96/559985996.db2.gz GEOMTFODBSJLHX-HNNXBMFYSA-N 1 1 355.460 2.384 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+](CCO)[C@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000439011327 559987012 /nfs/dbraw/zinc/98/70/12/559987012.db2.gz SWBGZIKNNNSIEJ-AWEZNQCLSA-N 1 1 367.471 2.422 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000441095435 560023604 /nfs/dbraw/zinc/02/36/04/560023604.db2.gz RCKNDMDICHUVBR-MNOVXSKESA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000441095435 560023605 /nfs/dbraw/zinc/02/36/05/560023605.db2.gz RCKNDMDICHUVBR-MNOVXSKESA-N 1 1 368.821 2.128 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441211081 560026424 /nfs/dbraw/zinc/02/64/24/560026424.db2.gz PWDMJPGTNVRWJR-KGLIPLIRSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441211081 560026425 /nfs/dbraw/zinc/02/64/25/560026425.db2.gz PWDMJPGTNVRWJR-KGLIPLIRSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443342032 560081296 /nfs/dbraw/zinc/08/12/96/560081296.db2.gz DHLLDCKFJFKFAZ-SLEUVZQESA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443342032 560081297 /nfs/dbraw/zinc/08/12/97/560081297.db2.gz DHLLDCKFJFKFAZ-SLEUVZQESA-N 1 1 351.403 2.023 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000443706037 560090769 /nfs/dbraw/zinc/09/07/69/560090769.db2.gz HXZLVEDSYSGKJY-HNNXBMFYSA-N 1 1 369.468 2.379 20 5 FEBDMO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000443712543 560090896 /nfs/dbraw/zinc/09/08/96/560090896.db2.gz WNYAADWRRLHNCC-KBPBESRZSA-N 1 1 355.460 2.277 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21)C(C)C ZINC000444166354 560103858 /nfs/dbraw/zinc/10/38/58/560103858.db2.gz BEFBMRSWXOUCPC-UHFFFAOYSA-N 1 1 366.443 2.152 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562574 560164604 /nfs/dbraw/zinc/16/46/04/560164604.db2.gz MIGMFZANJPNZBV-YJBOKZPZSA-N 1 1 360.458 2.149 20 5 FEBDMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000447811544 560169725 /nfs/dbraw/zinc/16/97/25/560169725.db2.gz GDHTVMKHRQGSGX-OAHLLOKOSA-N 1 1 357.414 2.050 20 5 FEBDMO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000449498322 560231866 /nfs/dbraw/zinc/23/18/66/560231866.db2.gz LCKDFVNAPWVTHW-LJQANCHMSA-N 1 1 374.485 2.361 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449567127 560233800 /nfs/dbraw/zinc/23/38/00/560233800.db2.gz ULNOPDXYJWRICD-HNNXBMFYSA-N 1 1 365.430 2.063 20 5 FEBDMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449884294 560244029 /nfs/dbraw/zinc/24/40/29/560244029.db2.gz OOZSODLSBWXBMG-HOCLYGCPSA-N 1 1 369.425 2.479 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450054527 560249466 /nfs/dbraw/zinc/24/94/66/560249466.db2.gz YAADDCSUPLKDJA-HZPDHXFCSA-N 1 1 369.425 2.479 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000450320066 560258459 /nfs/dbraw/zinc/25/84/59/560258459.db2.gz MVFANNPFSJHWAQ-ZDUSSCGKSA-N 1 1 374.441 2.433 20 5 FEBDMO C[C@@H]1CN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000450547764 560265783 /nfs/dbraw/zinc/26/57/83/560265783.db2.gz PCIXQFSVWBHKIB-INIZCTEOSA-N 1 1 374.485 2.348 20 5 FEBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)nc1-c1ccccc1 ZINC000450794638 560273472 /nfs/dbraw/zinc/27/34/72/560273472.db2.gz RYMRWLZFDSFHBA-IYBDPMFKSA-N 1 1 354.410 2.932 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451804564 560329484 /nfs/dbraw/zinc/32/94/84/560329484.db2.gz BQQRNEVNWZDBIU-GXTWGEPZSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451804564 560329485 /nfs/dbraw/zinc/32/94/85/560329485.db2.gz BQQRNEVNWZDBIU-GXTWGEPZSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)nc1 ZINC000452058913 560348663 /nfs/dbraw/zinc/34/86/63/560348663.db2.gz NMNHEHSRDILTCG-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454192204 560433997 /nfs/dbraw/zinc/43/39/97/560433997.db2.gz BBNYNTIUVONPAK-GFCCVEGCSA-N 1 1 356.810 2.217 20 5 FEBDMO CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455486180 560484212 /nfs/dbraw/zinc/48/42/12/560484212.db2.gz BPLFYDFCPPYAPV-LBPRGKRZSA-N 1 1 358.402 2.268 20 5 FEBDMO Cc1[nH+]ccn1CC(=O)N[C@H](CC(=O)OC(C)C)c1ccccc1[N+](=O)[O-] ZINC000457396360 560565029 /nfs/dbraw/zinc/56/50/29/560565029.db2.gz BVMUYDOTTWRMQE-OAHLLOKOSA-N 1 1 374.397 2.299 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000458221345 560609745 /nfs/dbraw/zinc/60/97/45/560609745.db2.gz ZMYUBENYBGQISP-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO COCCC1(C)C[NH+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000459636163 560699014 /nfs/dbraw/zinc/69/90/14/560699014.db2.gz QGNYFRPGSJFMJW-UHFFFAOYSA-N 1 1 352.387 2.005 20 5 FEBDMO CC(C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000461269400 560765669 /nfs/dbraw/zinc/76/56/69/560765669.db2.gz WZABZWTYXNJMGU-RVKKMQEKSA-N 1 1 363.458 2.387 20 5 FEBDMO CC(C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000461269400 560765670 /nfs/dbraw/zinc/76/56/70/560765670.db2.gz WZABZWTYXNJMGU-RVKKMQEKSA-N 1 1 363.458 2.387 20 5 FEBDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000464787937 560850984 /nfs/dbraw/zinc/85/09/84/560850984.db2.gz GCSCAYHCKGCZNR-ZWKOTPCHSA-N 1 1 364.421 2.490 20 5 FEBDMO CCOc1cc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020997 560901752 /nfs/dbraw/zinc/90/17/52/560901752.db2.gz DAIHEBCVCZFTDS-SMDDNHRTSA-N 1 1 363.414 2.215 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467127704 560904186 /nfs/dbraw/zinc/90/41/86/560904186.db2.gz HZEHGVMPXSHDCJ-QWHCGFSZSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467132295 560904383 /nfs/dbraw/zinc/90/43/83/560904383.db2.gz TUROVRONDLNKDJ-ZDUSSCGKSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1cc(C(=O)NCCNc2cccc(C)[nH+]2)cc([N+](=O)[O-])c1OC ZINC000469585364 560959067 /nfs/dbraw/zinc/95/90/67/560959067.db2.gz QTZOSTFDQGONQA-UHFFFAOYSA-N 1 1 360.370 2.157 20 5 FEBDMO C[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000470153213 560975592 /nfs/dbraw/zinc/97/55/92/560975592.db2.gz WZMWAOVKGCWCPO-NSHDSACASA-N 1 1 354.382 2.043 20 5 FEBDMO COC(=O)c1cn([C@H]2CC[N@@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208205 560976733 /nfs/dbraw/zinc/97/67/33/560976733.db2.gz GOTDCSGSXBEQNL-OIQJVACTSA-N 1 1 371.397 2.323 20 5 FEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470813176 560990531 /nfs/dbraw/zinc/99/05/31/560990531.db2.gz TYFFNIUJEPSION-RDJZCZTQSA-N 1 1 359.405 2.429 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475693077 561102390 /nfs/dbraw/zinc/10/23/90/561102390.db2.gz HZOIYPDYHKPREI-NWDGAFQWSA-N 1 1 354.428 2.472 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475693077 561102391 /nfs/dbraw/zinc/10/23/91/561102391.db2.gz HZOIYPDYHKPREI-NWDGAFQWSA-N 1 1 354.428 2.472 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000475697588 561102580 /nfs/dbraw/zinc/10/25/80/561102580.db2.gz GVDCQMJHMHZJFZ-UHFFFAOYSA-N 1 1 366.414 2.395 20 5 FEBDMO COC[C@H]1CCC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000475708040 561102841 /nfs/dbraw/zinc/10/28/41/561102841.db2.gz FKOVJZFXDLVKHV-AWEZNQCLSA-N 1 1 352.387 2.005 20 5 FEBDMO COc1c(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cccc1[N+](=O)[O-] ZINC000476360655 561117648 /nfs/dbraw/zinc/11/76/48/561117648.db2.gz AZNVJWQIONCECZ-UHFFFAOYSA-N 1 1 356.382 2.269 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000477006948 561134216 /nfs/dbraw/zinc/13/42/16/561134216.db2.gz BACXNSBDZKPGOM-XHDPSFHLSA-N 1 1 363.443 2.203 20 5 FEBDMO O=C(C[N@H+]1CCC[C@]2(CCCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000477068912 561135877 /nfs/dbraw/zinc/13/58/77/561135877.db2.gz KACYIOMTCIUVCD-IBGZPJMESA-N 1 1 359.426 2.377 20 5 FEBDMO COc1ccc(OCC[N@@H+](CC(C)(C)O)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000530700575 562420996 /nfs/dbraw/zinc/42/09/96/562420996.db2.gz KNPWVQSEULKEQJ-UHFFFAOYSA-N 1 1 368.430 2.234 20 5 FEBDMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000532174879 562469826 /nfs/dbraw/zinc/46/98/26/562469826.db2.gz HEDUFUFAHRAMNM-SJLPKXTDSA-N 1 1 372.425 2.449 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000534537592 562536322 /nfs/dbraw/zinc/53/63/22/562536322.db2.gz HPRFVKCRKAJTBM-KRWDZBQOSA-N 1 1 369.425 2.493 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000534537592 562536323 /nfs/dbraw/zinc/53/63/23/562536323.db2.gz HPRFVKCRKAJTBM-KRWDZBQOSA-N 1 1 369.425 2.493 20 5 FEBDMO COc1cc(C)c(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(C)n1 ZINC000540996593 562599710 /nfs/dbraw/zinc/59/97/10/562599710.db2.gz MXXLUOVPVCGOGI-UHFFFAOYSA-N 1 1 357.414 2.332 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000570553881 568486655 /nfs/dbraw/zinc/48/66/55/568486655.db2.gz RZDMMEBMYFELNX-ZDUSSCGKSA-N 1 1 374.397 2.399 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736264020 598500635 /nfs/dbraw/zinc/50/06/35/598500635.db2.gz AZDQTIXXXVNIBD-LLVKDONJSA-N 1 1 360.422 2.092 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC ZINC000557561994 674454196 /nfs/dbraw/zinc/45/41/96/674454196.db2.gz BJJWTEWJUDZHRG-CYBMUJFWSA-N 1 1 351.403 2.213 20 5 FEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000809821054 674512992 /nfs/dbraw/zinc/51/29/92/674512992.db2.gz HHFQCVBJYICEOP-IUCAKERBSA-N 1 1 365.814 2.148 20 5 FEBDMO O=[N+]([O-])c1cccc(CCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)c1 ZINC000826499573 607968539 /nfs/dbraw/zinc/96/85/39/607968539.db2.gz NRDTTYNZZOMDFO-UHFFFAOYSA-N 1 1 361.365 2.400 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812320028 674665913 /nfs/dbraw/zinc/66/59/13/674665913.db2.gz AFLHQLMVADFDPS-PWSUYJOCSA-N 1 1 368.231 2.381 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000564325101 674995741 /nfs/dbraw/zinc/99/57/41/674995741.db2.gz LMXBBNHCFUQEEZ-CQSZACIVSA-N 1 1 367.471 2.197 20 5 FEBDMO C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101572010 670768469 /nfs/dbraw/zinc/76/84/69/670768469.db2.gz HCQZOYDKUCWWOE-LLVKDONJSA-N 1 1 361.851 2.401 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101572010 670768472 /nfs/dbraw/zinc/76/84/72/670768472.db2.gz HCQZOYDKUCWWOE-LLVKDONJSA-N 1 1 361.851 2.401 20 5 FEBDMO Cc1c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000108325591 670828561 /nfs/dbraw/zinc/82/85/61/670828561.db2.gz LPOQDODQZPUITG-LBPRGKRZSA-N 1 1 350.375 2.191 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000817677849 675160589 /nfs/dbraw/zinc/16/05/89/675160589.db2.gz HXMUAKSRFPDNAF-LLVKDONJSA-N 1 1 368.821 2.373 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000573061177 671076372 /nfs/dbraw/zinc/07/63/72/671076372.db2.gz ZWZGZRUOEZFXLF-YGRLFVJLSA-N 1 1 368.231 2.442 20 5 FEBDMO CC(C)C[C@@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000573825948 671169329 /nfs/dbraw/zinc/16/93/29/671169329.db2.gz LZFYLBHNLSLJIN-CQSZACIVSA-N 1 1 355.460 2.336 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000574115369 671204003 /nfs/dbraw/zinc/20/40/03/671204003.db2.gz XYEMNRNKKNQXIZ-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000574115369 671204005 /nfs/dbraw/zinc/20/40/05/671204005.db2.gz XYEMNRNKKNQXIZ-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000574493473 671246267 /nfs/dbraw/zinc/24/62/67/671246267.db2.gz IHTFFAJJMIVUDF-CYBMUJFWSA-N 1 1 372.491 2.377 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576580860 671379237 /nfs/dbraw/zinc/37/92/37/671379237.db2.gz KACTWEMMENLOTJ-BZUAXINKSA-N 1 1 350.415 2.226 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609545623 675925663 /nfs/dbraw/zinc/92/56/63/675925663.db2.gz HCCNRFNQLUINLA-GFCCVEGCSA-N 1 1 361.851 2.401 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000580009817 671776147 /nfs/dbraw/zinc/77/61/47/671776147.db2.gz OHUBPOUAYXZQEP-GFCCVEGCSA-N 1 1 359.448 2.002 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000154031276 672209213 /nfs/dbraw/zinc/20/92/13/672209213.db2.gz WDEVELQOFTWGGM-OKILXGFUSA-N 1 1 350.419 2.476 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000610906174 676004977 /nfs/dbraw/zinc/00/49/77/676004977.db2.gz QQIKGRKRNYPBAE-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000611516153 676042195 /nfs/dbraw/zinc/04/21/95/676042195.db2.gz WYOWPUQYWSEGLI-UHFFFAOYSA-N 1 1 367.471 2.236 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1COCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592133485 672762206 /nfs/dbraw/zinc/76/22/06/672762206.db2.gz VTFWOWDNVVNHNM-BRWVUGGUSA-N 1 1 350.415 2.116 20 5 FEBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccc(S(N)(=O)=O)cc1 ZINC000611931323 676060897 /nfs/dbraw/zinc/06/08/97/676060897.db2.gz NPKCGXKOJUPJEC-JTQLQIEISA-N 1 1 353.375 2.232 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCS[C@H]4COCC[C@H]43)n2)c1 ZINC000246738146 672841793 /nfs/dbraw/zinc/84/17/93/672841793.db2.gz GNQXXCMBUBDFGX-CABCVRRESA-N 1 1 361.427 2.017 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCS[C@H]4COCC[C@H]43)n2)c1 ZINC000246738146 672841795 /nfs/dbraw/zinc/84/17/95/672841795.db2.gz GNQXXCMBUBDFGX-CABCVRRESA-N 1 1 361.427 2.017 20 5 FEBDMO C[C@H](CSc1ccccc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593045597 672867642 /nfs/dbraw/zinc/86/76/42/672867642.db2.gz JIOXKCXNRXUUAT-HIFRSBDPSA-N 1 1 350.444 2.265 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000249690162 672873749 /nfs/dbraw/zinc/87/37/49/672873749.db2.gz QHQVBARMSKTBLP-NWDGAFQWSA-N 1 1 359.423 2.133 20 5 FEBDMO COCCOCC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000593116926 672878732 /nfs/dbraw/zinc/87/87/32/672878732.db2.gz MRPPDHCMIUZIBP-UHFFFAOYSA-N 1 1 357.838 2.029 20 5 FEBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@@H]1C ZINC000594568625 673098534 /nfs/dbraw/zinc/09/85/34/673098534.db2.gz ZDQJOVZBQHDKFT-ZDUSSCGKSA-N 1 1 352.410 2.101 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594788071 673141946 /nfs/dbraw/zinc/14/19/46/673141946.db2.gz DDVHMWNGZOXIKJ-GFCCVEGCSA-N 1 1 371.459 2.002 20 5 FEBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594788929 673143118 /nfs/dbraw/zinc/14/31/18/673143118.db2.gz ICDZCOBBNLQUEO-NSHDSACASA-N 1 1 361.851 2.399 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594788929 673143120 /nfs/dbraw/zinc/14/31/20/673143120.db2.gz ICDZCOBBNLQUEO-NSHDSACASA-N 1 1 361.851 2.399 20 5 FEBDMO C[C@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CS1(=O)=O ZINC000594976595 673182012 /nfs/dbraw/zinc/18/20/12/673182012.db2.gz PPEHSZUQOATLCE-ONGXEEELSA-N 1 1 364.370 2.252 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)CN1CCN(C)CC1 ZINC000595012006 673186209 /nfs/dbraw/zinc/18/62/09/673186209.db2.gz MOBSKWXZMCHRNE-HUUCEWRRSA-N 1 1 350.463 2.138 20 5 FEBDMO Cc1noc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000595296086 673218374 /nfs/dbraw/zinc/21/83/74/673218374.db2.gz HXJPWAKZTIEJCP-GFCCVEGCSA-N 1 1 350.419 2.362 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000595382560 673239030 /nfs/dbraw/zinc/23/90/30/673239030.db2.gz WKWMENZNANVTNO-UHFFFAOYSA-N 1 1 357.476 2.177 20 5 FEBDMO COc1cc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596103253 673358952 /nfs/dbraw/zinc/35/89/52/673358952.db2.gz BIXUITAPYYRWFG-LLVKDONJSA-N 1 1 370.837 2.256 20 5 FEBDMO COC(=O)c1c(Cl)c(NC[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000596136114 673362196 /nfs/dbraw/zinc/36/21/96/673362196.db2.gz TTWTXPUPUPAAKF-NSHDSACASA-N 1 1 371.821 2.415 20 5 FEBDMO COC(=O)c1c(Cl)c(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000596167558 673364631 /nfs/dbraw/zinc/36/46/31/673364631.db2.gz KPQPTDFFPGKLGG-SKDRFNHKSA-N 1 1 357.794 2.166 20 5 FEBDMO COC(=O)c1c(Cl)c(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000596167558 673364635 /nfs/dbraw/zinc/36/46/35/673364635.db2.gz KPQPTDFFPGKLGG-SKDRFNHKSA-N 1 1 357.794 2.166 20 5 FEBDMO O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000596422116 673383912 /nfs/dbraw/zinc/38/39/12/673383912.db2.gz AHRHGUWQHOLNBP-AWEZNQCLSA-N 1 1 362.817 2.244 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000734485002 673464601 /nfs/dbraw/zinc/46/46/01/673464601.db2.gz QBBQXELKIKHRTD-UHFFFAOYSA-N 1 1 350.444 2.488 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608639 673589856 /nfs/dbraw/zinc/58/98/56/673589856.db2.gz OIFCJYBLUPXLJZ-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598616879 673590968 /nfs/dbraw/zinc/59/09/68/673590968.db2.gz FNDZMHBLIRPMPA-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO COc1cc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000598989919 673626894 /nfs/dbraw/zinc/62/68/94/673626894.db2.gz VYVVRVRKWDRCAV-CYBMUJFWSA-N 1 1 360.292 2.399 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])cc1OC(F)F ZINC000543182781 673631450 /nfs/dbraw/zinc/63/14/50/673631450.db2.gz XWRBVTKJIHCTFR-UFGOTCBOSA-N 1 1 358.341 2.408 20 5 FEBDMO C[NH+]1CCN(CC2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C2)CC1 ZINC000599108569 673634052 /nfs/dbraw/zinc/63/40/52/673634052.db2.gz NKBLNPYAOYCNLX-UHFFFAOYSA-N 1 1 358.364 2.297 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599390511 673668472 /nfs/dbraw/zinc/66/84/72/673668472.db2.gz JAPXEHCRNKRTBY-MRXNPFEDSA-N 1 1 367.471 2.421 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599464630 673678761 /nfs/dbraw/zinc/67/87/61/673678761.db2.gz OUJLJAIQHUPEKM-HNNXBMFYSA-N 1 1 353.444 2.198 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CO)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000599674581 673705041 /nfs/dbraw/zinc/70/50/41/673705041.db2.gz CSENHFOYCIMAHA-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000601375552 673851188 /nfs/dbraw/zinc/85/11/88/673851188.db2.gz XPJRTNURKPBGLM-GXTWGEPZSA-N 1 1 371.434 2.147 20 5 FEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000602549338 673908101 /nfs/dbraw/zinc/90/81/01/673908101.db2.gz BMWQCXTXJXBYPZ-LLVKDONJSA-N 1 1 352.334 2.280 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000823054765 675526438 /nfs/dbraw/zinc/52/64/38/675526438.db2.gz BWCKJNCCPKOHOR-SECBINFHSA-N 1 1 368.821 2.419 20 5 FEBDMO Nc1c(C(=O)N2CC[NH+](CCCF)CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000823652842 675565532 /nfs/dbraw/zinc/56/55/32/675565532.db2.gz PLLBBEOGVXUINA-UHFFFAOYSA-N 1 1 362.764 2.087 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000824427064 675601301 /nfs/dbraw/zinc/60/13/01/675601301.db2.gz IELHCUWDZOODAV-XHDPSFHLSA-N 1 1 352.822 2.484 20 5 FEBDMO O=C(N1C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1)C(F)(F)F ZINC000824829787 675624328 /nfs/dbraw/zinc/62/43/28/675624328.db2.gz RBCJUBBYELKWOU-QWHCGFSZSA-N 1 1 357.332 2.437 20 5 FEBDMO C[NH+]1CCN(C2CCN(C(=O)c3cccc(Cl)c3[N+](=O)[O-])CC2)CC1 ZINC000827449762 675756690 /nfs/dbraw/zinc/75/66/90/675756690.db2.gz JOKXUEZDJDVTIO-UHFFFAOYSA-N 1 1 366.849 2.100 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@H]1C ZINC000827573800 675765940 /nfs/dbraw/zinc/76/59/40/675765940.db2.gz OXCGPFMTMHUWTD-VXGBXAGGSA-N 1 1 352.410 2.355 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000603640474 675800433 /nfs/dbraw/zinc/80/04/33/675800433.db2.gz GIVICHSIPYKUAU-ZIAGYGMSSA-N 1 1 355.460 2.444 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCC1OCCO1)[C@H]1CC[C@H](O)CC1 ZINC000828816642 675846594 /nfs/dbraw/zinc/84/65/94/675846594.db2.gz CSGJVCSJAWMYKV-WKILWMFISA-N 1 1 350.415 2.463 20 5 FEBDMO CCOC(=O)CC(C)(C)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000838840836 680721834 /nfs/dbraw/zinc/72/18/34/680721834.db2.gz MZOCUXYFCDEQPG-ZDUSSCGKSA-N 1 1 350.419 2.455 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000839439257 680752868 /nfs/dbraw/zinc/75/28/68/680752868.db2.gz NEVAFSFKOUJCDS-UHFFFAOYSA-N 1 1 350.375 2.416 20 5 FEBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000839669361 680770480 /nfs/dbraw/zinc/77/04/80/680770480.db2.gz OXAURAUDKKMIOA-GFCCVEGCSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCC(=O)N1 ZINC000839669361 680770483 /nfs/dbraw/zinc/77/04/83/680770483.db2.gz OXAURAUDKKMIOA-GFCCVEGCSA-N 1 1 368.821 2.176 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000839715272 680774033 /nfs/dbraw/zinc/77/40/33/680774033.db2.gz CMRPXGYYGDHIFQ-DRABBMOASA-N 1 1 355.797 2.253 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000749990439 680093753 /nfs/dbraw/zinc/09/37/53/680093753.db2.gz VWQKMXWWGZIDRN-LBPRGKRZSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000749990439 680093757 /nfs/dbraw/zinc/09/37/57/680093757.db2.gz VWQKMXWWGZIDRN-LBPRGKRZSA-N 1 1 366.849 2.147 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000832490057 680139567 /nfs/dbraw/zinc/13/95/67/680139567.db2.gz IUZDQEGQCOMCBX-VXGBXAGGSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000832490057 680139568 /nfs/dbraw/zinc/13/95/68/680139568.db2.gz IUZDQEGQCOMCBX-VXGBXAGGSA-N 1 1 355.822 2.084 20 5 FEBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754997358 680393192 /nfs/dbraw/zinc/39/31/92/680393192.db2.gz MPOUMMMKGFDDEM-SECBINFHSA-N 1 1 360.183 2.320 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836368218 680458928 /nfs/dbraw/zinc/45/89/28/680458928.db2.gz MNZNUTCKJNGBGN-LBPRGKRZSA-N 1 1 356.810 2.217 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@@H]21 ZINC000836847839 680522280 /nfs/dbraw/zinc/52/22/80/680522280.db2.gz FTMCGNNOLWEQMU-PELKAZGASA-N 1 1 372.194 2.273 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000757642399 680529342 /nfs/dbraw/zinc/52/93/42/680529342.db2.gz LPMHXHLHUOXSPE-NSHDSACASA-N 1 1 363.805 2.410 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000766556966 680881432 /nfs/dbraw/zinc/88/14/32/680881432.db2.gz QXTUOOYIOTXHIL-GHMZBOCLSA-N 1 1 350.375 2.366 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000766556966 680881433 /nfs/dbraw/zinc/88/14/33/680881433.db2.gz QXTUOOYIOTXHIL-GHMZBOCLSA-N 1 1 350.375 2.366 20 5 FEBDMO C[N@@H+]1CCO[C@@H](CSCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000842652266 680957232 /nfs/dbraw/zinc/95/72/32/680957232.db2.gz NOZUXQHLJVKNSU-LLVKDONJSA-N 1 1 359.835 2.251 20 5 FEBDMO C[N@H+]1CCO[C@@H](CSCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000842652266 680957234 /nfs/dbraw/zinc/95/72/34/680957234.db2.gz NOZUXQHLJVKNSU-LLVKDONJSA-N 1 1 359.835 2.251 20 5 FEBDMO O=C(CN1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843364277 681000034 /nfs/dbraw/zinc/00/00/34/681000034.db2.gz ZFYFIEOAOGQRMZ-UHFFFAOYSA-N 1 1 352.822 2.262 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000845740203 681150093 /nfs/dbraw/zinc/15/00/93/681150093.db2.gz YHUYCHLSXACJBG-LLVKDONJSA-N 1 1 350.371 2.396 20 5 FEBDMO Cc1nsc(N2CCC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000776277596 681378940 /nfs/dbraw/zinc/37/89/40/681378940.db2.gz OLGGJQGFMARNCU-HNNXBMFYSA-N 1 1 363.443 2.000 20 5 FEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583257 681410801 /nfs/dbraw/zinc/41/08/01/681410801.db2.gz ZJYUNZUHAOIHBW-DZGCQCFKSA-N 1 1 351.403 2.227 20 5 FEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583257 681410804 /nfs/dbraw/zinc/41/08/04/681410804.db2.gz ZJYUNZUHAOIHBW-DZGCQCFKSA-N 1 1 351.403 2.227 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC000933466076 681417184 /nfs/dbraw/zinc/41/71/84/681417184.db2.gz YDZOURGBNZZTGN-CYBMUJFWSA-N 1 1 353.423 2.041 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000848589988 681585040 /nfs/dbraw/zinc/58/50/40/681585040.db2.gz JAEHCSSJIAKBMT-HNNXBMFYSA-N 1 1 355.341 2.121 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000849411796 681719966 /nfs/dbraw/zinc/71/99/66/681719966.db2.gz TWKQOKILLGLADJ-NSHDSACASA-N 1 1 359.423 2.133 20 5 FEBDMO CCN1CC[NH+](CCC(=O)NCc2cc(F)c(Cl)c([N+](=O)[O-])c2)CC1 ZINC000913384646 685476042 /nfs/dbraw/zinc/47/60/42/685476042.db2.gz AAXKJZKQPHKJDT-UHFFFAOYSA-N 1 1 372.828 2.031 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000779882963 681765764 /nfs/dbraw/zinc/76/57/64/681765764.db2.gz VPNYYOHLVYGOCG-JTQLQIEISA-N 1 1 359.835 2.072 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000779882963 681765768 /nfs/dbraw/zinc/76/57/68/681765768.db2.gz VPNYYOHLVYGOCG-JTQLQIEISA-N 1 1 359.835 2.072 20 5 FEBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000935690899 681802180 /nfs/dbraw/zinc/80/21/80/681802180.db2.gz XZKLXCCARVYLIO-HOCLYGCPSA-N 1 1 353.369 2.311 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000935760120 681817037 /nfs/dbraw/zinc/81/70/37/681817037.db2.gz SZBOILAEYFIIGX-UHFFFAOYSA-N 1 1 351.794 2.453 20 5 FEBDMO CCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000850607794 681925323 /nfs/dbraw/zinc/92/53/23/681925323.db2.gz RLKFIGFCAJVBPB-LBPRGKRZSA-N 1 1 368.821 2.129 20 5 FEBDMO CCN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[N@@H+](CC)C1 ZINC000850607231 681925333 /nfs/dbraw/zinc/92/53/33/681925333.db2.gz UZWUYLGIHXRISA-GFCCVEGCSA-N 1 1 368.821 2.129 20 5 FEBDMO CC[N@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000852166962 682231133 /nfs/dbraw/zinc/23/11/33/682231133.db2.gz KOARAXIMIJPVAX-CYBMUJFWSA-N 1 1 352.410 2.479 20 5 FEBDMO CCN1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000852166962 682231135 /nfs/dbraw/zinc/23/11/35/682231135.db2.gz KOARAXIMIJPVAX-CYBMUJFWSA-N 1 1 352.410 2.479 20 5 FEBDMO CCN1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C)C1 ZINC000852166962 682231138 /nfs/dbraw/zinc/23/11/38/682231138.db2.gz KOARAXIMIJPVAX-CYBMUJFWSA-N 1 1 352.410 2.479 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000917908866 685535588 /nfs/dbraw/zinc/53/55/88/685535588.db2.gz KDYDLMFIRHVIMY-VXGBXAGGSA-N 1 1 359.835 2.153 20 5 FEBDMO COCCOCC[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853715749 682460157 /nfs/dbraw/zinc/46/01/57/682460157.db2.gz KTNMYQVPMGVRDV-UHFFFAOYSA-N 1 1 359.373 2.317 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000854352471 682541323 /nfs/dbraw/zinc/54/13/23/682541323.db2.gz DDESJOITGYDAAL-LLVKDONJSA-N 1 1 373.240 2.021 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000855164142 682634459 /nfs/dbraw/zinc/63/44/59/682634459.db2.gz IGMNFMPWSITJBV-NSHDSACASA-N 1 1 352.410 2.403 20 5 FEBDMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000791835933 682769775 /nfs/dbraw/zinc/76/97/75/682769775.db2.gz GPSRRJQGEOVVPB-UHFFFAOYSA-N 1 1 353.394 2.307 20 5 FEBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000794157521 682941556 /nfs/dbraw/zinc/94/15/56/682941556.db2.gz ISUZCLQGVTXFJT-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000794157521 682941558 /nfs/dbraw/zinc/94/15/58/682941558.db2.gz ISUZCLQGVTXFJT-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCC[N@H+]1CC[C@H](O)C1 ZINC000858868182 683009528 /nfs/dbraw/zinc/00/95/28/683009528.db2.gz VWKBSSFHIGNNCG-VIFPVBQESA-N 1 1 364.280 2.000 20 5 FEBDMO O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCC[N@@H+]1CC[C@H](O)C1 ZINC000858868182 683009529 /nfs/dbraw/zinc/00/95/29/683009529.db2.gz VWKBSSFHIGNNCG-VIFPVBQESA-N 1 1 364.280 2.000 20 5 FEBDMO C[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccns1 ZINC000860051382 683195743 /nfs/dbraw/zinc/19/57/43/683195743.db2.gz MCVXXMYQEXPRGL-QMMMGPOBSA-N 1 1 350.356 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1C ZINC000919860689 683303802 /nfs/dbraw/zinc/30/38/02/683303802.db2.gz QMZHFAUYVFNQPO-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1C ZINC000919860689 683303804 /nfs/dbraw/zinc/30/38/04/683303804.db2.gz QMZHFAUYVFNQPO-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1C ZINC000919860122 683303995 /nfs/dbraw/zinc/30/39/95/683303995.db2.gz HXUUTVHOOUKRMI-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1C ZINC000919860122 683304001 /nfs/dbraw/zinc/30/40/01/683304001.db2.gz HXUUTVHOOUKRMI-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798160217 683315922 /nfs/dbraw/zinc/31/59/22/683315922.db2.gz GDQSRGISNQGHCC-JTQLQIEISA-N 1 1 371.235 2.357 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1COC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000861031981 683334136 /nfs/dbraw/zinc/33/41/36/683334136.db2.gz FXPXREIFRPCUGQ-AWEZNQCLSA-N 1 1 354.428 2.341 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928094200 683384623 /nfs/dbraw/zinc/38/46/23/683384623.db2.gz AMAKRRMCNPEVAD-IUODEOHRSA-N 1 1 360.439 2.386 20 5 FEBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000929521572 683605806 /nfs/dbraw/zinc/60/58/06/683605806.db2.gz TVAZAGIVCCEIQV-VHSXEESVSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000929521572 683605808 /nfs/dbraw/zinc/60/58/08/683605808.db2.gz TVAZAGIVCCEIQV-VHSXEESVSA-N 1 1 356.220 2.443 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000930922432 683803600 /nfs/dbraw/zinc/80/36/00/683803600.db2.gz JXEHFQXZLHPECR-LLVKDONJSA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000930922432 683803606 /nfs/dbraw/zinc/80/36/06/683803606.db2.gz JXEHFQXZLHPECR-LLVKDONJSA-N 1 1 366.219 2.471 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865067458 683930277 /nfs/dbraw/zinc/93/02/77/683930277.db2.gz VYSVAPKFGJECJF-UHFFFAOYSA-N 1 1 367.203 2.221 20 5 FEBDMO CCC[C@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@H+]1CCOC ZINC000865650232 684010542 /nfs/dbraw/zinc/01/05/42/684010542.db2.gz AEPZXNGPIOXWNY-AWEZNQCLSA-N 1 1 355.410 2.163 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000931296453 684257419 /nfs/dbraw/zinc/25/74/19/684257419.db2.gz HKBYZIUUCOXRGV-QWHCGFSZSA-N 1 1 368.821 2.311 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000872662594 685000422 /nfs/dbraw/zinc/00/04/22/685000422.db2.gz JCSDVNVIMXZIOK-GJZGRUSLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872666400 685001809 /nfs/dbraw/zinc/00/18/09/685001809.db2.gz UXSVEQAEYYFVLP-KBPBESRZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872666400 685001811 /nfs/dbraw/zinc/00/18/11/685001811.db2.gz UXSVEQAEYYFVLP-KBPBESRZSA-N 1 1 373.862 2.414 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000874828154 685676518 /nfs/dbraw/zinc/67/65/18/685676518.db2.gz FVTVRFIRSPSMCL-NEPJUHHUSA-N 1 1 369.219 2.061 20 5 FEBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000880494389 687054048 /nfs/dbraw/zinc/05/40/48/687054048.db2.gz ASBLAFZJYMVJSN-LSDHHAIUSA-N 1 1 367.833 2.477 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881863593 687237624 /nfs/dbraw/zinc/23/76/24/687237624.db2.gz CJYVYBQRNRPPME-GFCCVEGCSA-N 1 1 356.220 2.458 20 5 FEBDMO CC(C)N1CC[NH+](C2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000882139811 687311567 /nfs/dbraw/zinc/31/15/67/687311567.db2.gz AQDXKFVJSBGPTD-UHFFFAOYSA-N 1 1 351.426 2.124 20 5 FEBDMO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883294548 687601141 /nfs/dbraw/zinc/60/11/41/687601141.db2.gz BUKDGELZOYNESQ-SECBINFHSA-N 1 1 365.249 2.270 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000884959452 687975566 /nfs/dbraw/zinc/97/55/66/687975566.db2.gz LOYQMUSWMYNXTR-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000884958136 687975963 /nfs/dbraw/zinc/97/59/63/687975963.db2.gz ZLCMXNCRFCRWTF-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000885857829 688170551 /nfs/dbraw/zinc/17/05/51/688170551.db2.gz IHAXSWTXDBVRPS-CYBMUJFWSA-N 1 1 353.806 2.231 20 5 FEBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000885872746 688174777 /nfs/dbraw/zinc/17/47/77/688174777.db2.gz JBYKWMKUMURMOW-AWEZNQCLSA-N 1 1 351.378 2.025 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000894047627 689456368 /nfs/dbraw/zinc/45/63/68/689456368.db2.gz PFLNSOMMOYYATA-DYVFJYSZSA-N 1 1 366.849 2.384 20 5 FEBDMO O=[N+]([O-])c1c(Br)cccc1NCC[N@@H+]1CCC2(C1)OCCO2 ZINC000895252562 689685192 /nfs/dbraw/zinc/68/51/92/689685192.db2.gz OSHBHSYQNDWLPY-UHFFFAOYSA-N 1 1 372.219 2.218 20 5 FEBDMO O=[N+]([O-])c1c(Br)cccc1NCC[N@H+]1CCC2(C1)OCCO2 ZINC000895252562 689685194 /nfs/dbraw/zinc/68/51/94/689685194.db2.gz OSHBHSYQNDWLPY-UHFFFAOYSA-N 1 1 372.219 2.218 20 5 FEBDMO C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H](C)[NH+]1CCOCC1 ZINC000906580679 691287368 /nfs/dbraw/zinc/28/73/68/691287368.db2.gz HLOVGNSCLOKHFZ-CHWSQXEVSA-N 1 1 369.849 2.406 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000908541074 691695643 /nfs/dbraw/zinc/69/56/43/691695643.db2.gz PJGJOMXUGAEZPI-CQSZACIVSA-N 1 1 369.849 2.144 20 5 FEBDMO COc1nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164723586 720352240 /nfs/dbraw/zinc/35/22/40/720352240.db2.gz IBQIALFHBRVSNK-GJZGRUSLSA-N 1 1 355.398 2.247 20 5 FEBDMO COc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164724295 720370724 /nfs/dbraw/zinc/37/07/24/720370724.db2.gz JCYVTHALDRVIOY-GJZGRUSLSA-N 1 1 355.398 2.247 20 5 FEBDMO COc1nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164781711 721398197 /nfs/dbraw/zinc/39/81/97/721398197.db2.gz CWCBUBIGTRUKIE-VXGBXAGGSA-N 1 1 361.427 2.023 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1Cl ZINC001164928545 721858432 /nfs/dbraw/zinc/85/84/32/721858432.db2.gz OEYCUIHQQQOYRW-CHWSQXEVSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1Cl ZINC001164928545 721858433 /nfs/dbraw/zinc/85/84/33/721858433.db2.gz OEYCUIHQQQOYRW-CHWSQXEVSA-N 1 1 353.854 2.166 20 5 FEBDMO CC(C)Oc1nc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC001164966973 722076058 /nfs/dbraw/zinc/07/60/58/722076058.db2.gz HTADXKIZWVAQGY-GASCZTMLSA-N 1 1 362.430 2.076 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000028013609 539823920 /nfs/dbraw/zinc/82/39/20/539823920.db2.gz NRVKAYDBKVFDJY-CYBMUJFWSA-N 1 1 355.822 2.335 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000041664464 540029689 /nfs/dbraw/zinc/02/96/89/540029689.db2.gz VZWNXKVUVGHMPP-LLVKDONJSA-N 1 1 368.821 2.177 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000041729097 540031367 /nfs/dbraw/zinc/03/13/67/540031367.db2.gz VJWSXTUNRBOIRJ-OKILXGFUSA-N 1 1 362.430 2.018 20 5 FEBDMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045262843 540208077 /nfs/dbraw/zinc/20/80/77/540208077.db2.gz BIEOTVURFDSOGS-CQSZACIVSA-N 1 1 365.393 2.475 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000045744923 540225027 /nfs/dbraw/zinc/22/50/27/540225027.db2.gz NCIKSWNPHJFTQV-GXTWGEPZSA-N 1 1 355.460 2.302 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000046879095 540274771 /nfs/dbraw/zinc/27/47/71/540274771.db2.gz NITNVJQTMLCXCW-CYBMUJFWSA-N 1 1 365.430 2.464 20 5 FEBDMO CN1CC[NH+](Cc2ccc(CNC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000047284806 540301747 /nfs/dbraw/zinc/30/17/47/540301747.db2.gz QAOVGSGKJDNQEA-UHFFFAOYSA-N 1 1 368.437 2.272 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000052305701 540461731 /nfs/dbraw/zinc/46/17/31/540461731.db2.gz PDQWAVJEVMTGBW-BETUJISGSA-N 1 1 370.475 2.022 20 5 FEBDMO Cc1nn(C)c(NCCC[NH+]2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000051956898 540448409 /nfs/dbraw/zinc/44/84/09/540448409.db2.gz GQHVDIIZTMRAPI-UHFFFAOYSA-N 1 1 372.473 2.257 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000052954617 540501963 /nfs/dbraw/zinc/50/19/63/540501963.db2.gz CJRTUHNKCSVJLG-OAHLLOKOSA-N 1 1 357.414 2.209 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000535593124 540487462 /nfs/dbraw/zinc/48/74/62/540487462.db2.gz ZTBRNHRSFSCQDG-MRXNPFEDSA-N 1 1 369.425 2.409 20 5 FEBDMO CNC(=O)c1ccc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000053552354 540543042 /nfs/dbraw/zinc/54/30/42/540543042.db2.gz OSRUZVHDKYPJDN-GOSISDBHSA-N 1 1 354.410 2.448 20 5 FEBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000053552354 540543045 /nfs/dbraw/zinc/54/30/45/540543045.db2.gz OSRUZVHDKYPJDN-GOSISDBHSA-N 1 1 354.410 2.448 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000054626409 540599282 /nfs/dbraw/zinc/59/92/82/540599282.db2.gz CWAUWFXHEBISKM-UHFFFAOYSA-N 1 1 351.366 2.343 20 5 FEBDMO CCCCNC(=O)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350239 541202415 /nfs/dbraw/zinc/20/24/15/541202415.db2.gz MBDTWDJFZDUQMP-UHFFFAOYSA-N 1 1 350.419 2.431 20 5 FEBDMO CCCCNC(=O)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350239 541202417 /nfs/dbraw/zinc/20/24/17/541202417.db2.gz MBDTWDJFZDUQMP-UHFFFAOYSA-N 1 1 350.419 2.431 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000065744639 541257594 /nfs/dbraw/zinc/25/75/94/541257594.db2.gz ISVYLMGKRZIRTA-UHFFFAOYSA-N 1 1 372.360 2.049 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1F ZINC000066053659 541279560 /nfs/dbraw/zinc/27/95/60/541279560.db2.gz KPKXILQFGOAPAN-UHFFFAOYSA-N 1 1 372.360 2.131 20 5 FEBDMO C[NH+]1CCN(C(=O)CC2CCN(c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000066860334 541382182 /nfs/dbraw/zinc/38/21/82/541382182.db2.gz HFZFKSJXTMWUGJ-UHFFFAOYSA-N 1 1 364.421 2.114 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067744183 541507314 /nfs/dbraw/zinc/50/73/14/541507314.db2.gz QRXKDMRMWCJBSA-QGZVFWFLSA-N 1 1 363.439 2.484 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000069139325 541662407 /nfs/dbraw/zinc/66/24/07/541662407.db2.gz YDFGJYCXOIRYDO-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000069470104 541687840 /nfs/dbraw/zinc/68/78/40/541687840.db2.gz VTSUFUQCMYPAHB-AWEZNQCLSA-N 1 1 362.430 2.290 20 5 FEBDMO Cc1ccc([C@H]2CSCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000075747079 542202381 /nfs/dbraw/zinc/20/23/81/542202381.db2.gz NYDOZPVRLYTQER-DLBZAZTESA-N 1 1 362.455 2.251 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076485690 542284395 /nfs/dbraw/zinc/28/43/95/542284395.db2.gz RLNNCOWAIOLFLD-MLGOLLRUSA-N 1 1 363.414 2.184 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1[N+](=O)[O-] ZINC000079945556 542552450 /nfs/dbraw/zinc/55/24/50/542552450.db2.gz RMWMYZUPILEEHP-IUODEOHRSA-N 1 1 357.414 2.409 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000079888858 542547645 /nfs/dbraw/zinc/54/76/45/542547645.db2.gz KHVPQOLCVJYTIY-WMLDXEAASA-N 1 1 364.446 2.312 20 5 FEBDMO CC[NH+]1CCN(C(=O)Cc2ccc(Nc3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000080247629 542578083 /nfs/dbraw/zinc/57/80/83/542578083.db2.gz ISQJNTHEQNVPFL-UHFFFAOYSA-N 1 1 369.425 2.440 20 5 FEBDMO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093843229 542942848 /nfs/dbraw/zinc/94/28/48/542942848.db2.gz FZDLGIGFXNIZMI-JKNJVXJCSA-N 1 1 372.469 2.237 20 5 FEBDMO Nc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000103133624 543093975 /nfs/dbraw/zinc/09/39/75/543093975.db2.gz MYVQISPODTUFRW-INIZCTEOSA-N 1 1 368.437 2.471 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103466589 543108833 /nfs/dbraw/zinc/10/88/33/543108833.db2.gz YDXGSQLGLLSGCJ-UHFFFAOYSA-N 1 1 366.437 2.110 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103466589 543108835 /nfs/dbraw/zinc/10/88/35/543108835.db2.gz YDXGSQLGLLSGCJ-UHFFFAOYSA-N 1 1 366.437 2.110 20 5 FEBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000104943117 543152152 /nfs/dbraw/zinc/15/21/52/543152152.db2.gz NPCFMPGCMXLDQV-UHFFFAOYSA-N 1 1 370.409 2.432 20 5 FEBDMO COc1cc(OCC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000106791214 543247330 /nfs/dbraw/zinc/24/73/30/543247330.db2.gz BWKQWDVYRLTNLH-ZDUSSCGKSA-N 1 1 363.414 2.115 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000106866006 543251651 /nfs/dbraw/zinc/25/16/51/543251651.db2.gz VPKJFPNPEBHJNP-IUODEOHRSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000106866006 543251652 /nfs/dbraw/zinc/25/16/52/543251652.db2.gz VPKJFPNPEBHJNP-IUODEOHRSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891886 543252914 /nfs/dbraw/zinc/25/29/14/543252914.db2.gz JWPPTIWNBCWCDK-CYBMUJFWSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106891803 543253152 /nfs/dbraw/zinc/25/31/52/543253152.db2.gz MYOPLNKXGPPNMX-CQSZACIVSA-N 1 1 353.444 2.031 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111614770 543409039 /nfs/dbraw/zinc/40/90/39/543409039.db2.gz ZTHKRPUFZUAUHG-LBPRGKRZSA-N 1 1 370.409 2.183 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000112921747 543468547 /nfs/dbraw/zinc/46/85/47/543468547.db2.gz JMUUFPJQUVUFAQ-CQSZACIVSA-N 1 1 373.457 2.080 20 5 FEBDMO COC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112989176 543471094 /nfs/dbraw/zinc/47/10/94/543471094.db2.gz NMSRRPGRTMQIOC-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000113197967 543476979 /nfs/dbraw/zinc/47/69/79/543476979.db2.gz GJYOKXCZGZASRK-OAHLLOKOSA-N 1 1 372.429 2.170 20 5 FEBDMO CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000114645076 543528115 /nfs/dbraw/zinc/52/81/15/543528115.db2.gz DOQBOFVTQRMEKD-INIZCTEOSA-N 1 1 371.441 2.307 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000115275291 543557459 /nfs/dbraw/zinc/55/74/59/543557459.db2.gz NXIHSRXALKAVCD-DYVFJYSZSA-N 1 1 364.446 2.165 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000115586097 543576357 /nfs/dbraw/zinc/57/63/57/543576357.db2.gz JDLPTGCGRDSUIW-NSHDSACASA-N 1 1 361.851 2.211 20 5 FEBDMO COC(=O)CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000117341757 543629416 /nfs/dbraw/zinc/62/94/16/543629416.db2.gz DPMBTYVDDPFPAZ-UHFFFAOYSA-N 1 1 365.386 2.166 20 5 FEBDMO C[C@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000124597625 543831927 /nfs/dbraw/zinc/83/19/27/543831927.db2.gz PBVAHRPQGNPTTP-IHRRRGAJSA-N 1 1 363.418 2.095 20 5 FEBDMO Nc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000126827786 543958517 /nfs/dbraw/zinc/95/85/17/543958517.db2.gz BTPRUOJLRQYYHI-ABAIWWIYSA-N 1 1 362.405 2.405 20 5 FEBDMO O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000132842803 544245912 /nfs/dbraw/zinc/24/59/12/544245912.db2.gz YLTJOOGDGYDQOV-UHFFFAOYSA-N 1 1 350.404 2.403 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000132984627 544251214 /nfs/dbraw/zinc/25/12/14/544251214.db2.gz DCGLGYAXKIAQSN-WBMJQRKESA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000132984627 544251216 /nfs/dbraw/zinc/25/12/16/544251216.db2.gz DCGLGYAXKIAQSN-WBMJQRKESA-N 1 1 351.403 2.025 20 5 FEBDMO O=C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000134872237 544324533 /nfs/dbraw/zinc/32/45/33/544324533.db2.gz WBLLTRQOKAHFFW-PBHICJAKSA-N 1 1 358.442 2.482 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134934443 544328569 /nfs/dbraw/zinc/32/85/69/544328569.db2.gz OGISUJRCIUNJCZ-PBHICJAKSA-N 1 1 371.441 2.269 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)COC1CCOCC1)C1CC1 ZINC000135223883 544338337 /nfs/dbraw/zinc/33/83/37/544338337.db2.gz KIFHQQNPGDFHQM-INIZCTEOSA-N 1 1 350.415 2.116 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000151288169 544524657 /nfs/dbraw/zinc/52/46/57/544524657.db2.gz JHKNJQZJRQPUHE-AWEZNQCLSA-N 1 1 369.468 2.379 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+](CCO)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000152310049 544638070 /nfs/dbraw/zinc/63/80/70/544638070.db2.gz BCQAHMQPGYWOMI-UHFFFAOYSA-N 1 1 358.398 2.121 20 5 FEBDMO C[C@@H]1CN(C[C@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 ZINC000153294693 544757444 /nfs/dbraw/zinc/75/74/44/544757444.db2.gz BXNZJNKTRMDTNA-KHYOSLBOSA-N 1 1 363.458 2.029 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000153421844 544773422 /nfs/dbraw/zinc/77/34/22/544773422.db2.gz BDFVJCRUMRFARN-RDTXWAMCSA-N 1 1 359.426 2.449 20 5 FEBDMO Cc1ccc(NCCCNC(=O)NCC[N@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000154164463 544871831 /nfs/dbraw/zinc/87/18/31/544871831.db2.gz OMBXIFDPTAZTAC-UHFFFAOYSA-N 1 1 351.451 2.345 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@H]1C ZINC000553415369 674259882 /nfs/dbraw/zinc/25/98/82/674259882.db2.gz GJZFWPKMDRLXDS-CHWSQXEVSA-N 1 1 350.419 2.394 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccs2)CC1 ZINC000182252967 327767798 /nfs/dbraw/zinc/76/77/98/327767798.db2.gz JHHWEOKNOGLJQB-CQSZACIVSA-N 1 1 363.439 2.218 20 5 FEBDMO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187527214 328031786 /nfs/dbraw/zinc/03/17/86/328031786.db2.gz OGOHXCYOHPNHDD-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187527214 328031787 /nfs/dbraw/zinc/03/17/87/328031787.db2.gz OGOHXCYOHPNHDD-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188125176 328067894 /nfs/dbraw/zinc/06/78/94/328067894.db2.gz KRBDIRNZHQMUAL-LBPRGKRZSA-N 1 1 353.444 2.157 20 5 FEBDMO C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000188681068 328103813 /nfs/dbraw/zinc/10/38/13/328103813.db2.gz MNEISASVNBDCTL-OLZOCXBDSA-N 1 1 367.421 2.141 20 5 FEBDMO CCOC(=O)C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000188928569 328118324 /nfs/dbraw/zinc/11/83/24/328118324.db2.gz QDADBCYBCHCORG-UHFFFAOYSA-N 1 1 355.366 2.336 20 5 FEBDMO CCOC(=O)C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C(C)C ZINC000188928569 328118326 /nfs/dbraw/zinc/11/83/26/328118326.db2.gz QDADBCYBCHCORG-UHFFFAOYSA-N 1 1 355.366 2.336 20 5 FEBDMO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000189220907 328135786 /nfs/dbraw/zinc/13/57/86/328135786.db2.gz YAXZEICVWGEWAT-SFHVURJKSA-N 1 1 359.426 2.375 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190042566 328184257 /nfs/dbraw/zinc/18/42/57/328184257.db2.gz FLIBQHIEGUXKAP-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO Cc1c(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000190046109 328184317 /nfs/dbraw/zinc/18/43/17/328184317.db2.gz WSMCSBVJQXJDIA-GFCCVEGCSA-N 1 1 350.419 2.212 20 5 FEBDMO O=C1C[C@@H]([NH+]2CCC([C@H]3CCCO3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000190079889 328186369 /nfs/dbraw/zinc/18/63/69/328186369.db2.gz HRBZKDXPTNMDHQ-IAGOWNOFSA-N 1 1 373.409 2.118 20 5 FEBDMO CCN1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000190179622 328192962 /nfs/dbraw/zinc/19/29/62/328192962.db2.gz CHUMNDDTHCDORS-UHFFFAOYSA-N 1 1 358.398 2.347 20 5 FEBDMO CCN1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1=O ZINC000190179622 328192963 /nfs/dbraw/zinc/19/29/63/328192963.db2.gz CHUMNDDTHCDORS-UHFFFAOYSA-N 1 1 358.398 2.347 20 5 FEBDMO CCOCCOCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190293303 328198799 /nfs/dbraw/zinc/19/87/99/328198799.db2.gz ROYHTUMEJRFQTD-CQSZACIVSA-N 1 1 353.419 2.215 20 5 FEBDMO CCOCCOCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190293303 328198800 /nfs/dbraw/zinc/19/88/00/328198800.db2.gz ROYHTUMEJRFQTD-CQSZACIVSA-N 1 1 353.419 2.215 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000191082238 328249046 /nfs/dbraw/zinc/24/90/46/328249046.db2.gz QXYMFAPGHVZTKA-UHFFFAOYSA-N 1 1 359.835 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191155661 328252116 /nfs/dbraw/zinc/25/21/16/328252116.db2.gz ZUBUMFYEDPLAFY-ONXXMXGDSA-N 1 1 351.403 2.166 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191987166 328291960 /nfs/dbraw/zinc/29/19/60/328291960.db2.gz JAWPYTGLTIEWOB-KBPBESRZSA-N 1 1 355.460 2.172 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000191999112 328292942 /nfs/dbraw/zinc/29/29/42/328292942.db2.gz OAZXIKGCZJWXIU-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2)N1 ZINC000193466665 328376952 /nfs/dbraw/zinc/37/69/52/328376952.db2.gz VVVIAVAQFQKYNI-SFHVURJKSA-N 1 1 370.365 2.029 20 5 FEBDMO Cc1ccc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000193707076 328390610 /nfs/dbraw/zinc/39/06/10/328390610.db2.gz RTVPRPKSLVBOBL-OKILXGFUSA-N 1 1 350.419 2.476 20 5 FEBDMO Cc1ccc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000193707076 328390612 /nfs/dbraw/zinc/39/06/12/328390612.db2.gz RTVPRPKSLVBOBL-OKILXGFUSA-N 1 1 350.419 2.476 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193829923 328397767 /nfs/dbraw/zinc/39/77/67/328397767.db2.gz VINTZQGCORMKPB-ZDUSSCGKSA-N 1 1 350.375 2.241 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193829923 328397769 /nfs/dbraw/zinc/39/77/69/328397769.db2.gz VINTZQGCORMKPB-ZDUSSCGKSA-N 1 1 350.375 2.241 20 5 FEBDMO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237058673 328503159 /nfs/dbraw/zinc/50/31/59/328503159.db2.gz MFLPOIOXVFGWIA-SSDOTTSWSA-N 1 1 356.231 2.035 20 5 FEBDMO Cc1nn(CCC(=O)N2CC[N@@H+](C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000078415733 325045597 /nfs/dbraw/zinc/04/55/97/325045597.db2.gz XBXIDWFWILUELP-UHFFFAOYSA-N 1 1 357.414 2.277 20 5 FEBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000078415733 325045599 /nfs/dbraw/zinc/04/55/99/325045599.db2.gz XBXIDWFWILUELP-UHFFFAOYSA-N 1 1 357.414 2.277 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000081572270 325185221 /nfs/dbraw/zinc/18/52/21/325185221.db2.gz VOUIMRSBPQMIER-CRAIPNDOSA-N 1 1 360.458 2.364 20 5 FEBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000090551426 325362617 /nfs/dbraw/zinc/36/26/17/325362617.db2.gz OOMWUAUBGVRDDT-SFHVURJKSA-N 1 1 370.453 2.353 20 5 FEBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000090551426 325362619 /nfs/dbraw/zinc/36/26/19/325362619.db2.gz OOMWUAUBGVRDDT-SFHVURJKSA-N 1 1 370.453 2.353 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000090551426 325362620 /nfs/dbraw/zinc/36/26/20/325362620.db2.gz OOMWUAUBGVRDDT-SFHVURJKSA-N 1 1 370.453 2.353 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000090559620 325363299 /nfs/dbraw/zinc/36/32/99/325363299.db2.gz IILLDXAVRGUJPP-UHFFFAOYSA-N 1 1 365.817 2.295 20 5 FEBDMO COc1cc(C[NH+]2CCC(c3nncn3C)CC2)c([N+](=O)[O-])cc1OC ZINC000091795129 325394055 /nfs/dbraw/zinc/39/40/55/325394055.db2.gz IXBWEEMZPJUKQC-UHFFFAOYSA-N 1 1 361.402 2.120 20 5 FEBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1[n-]ncc1[N+](=O)[O-] ZINC000119262894 326142789 /nfs/dbraw/zinc/14/27/89/326142789.db2.gz DGKUMOZYHDCORZ-UHFFFAOYSA-N 1 1 369.381 2.473 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000120290990 326247052 /nfs/dbraw/zinc/24/70/52/326247052.db2.gz VANQSHXDTUPKOJ-ZDUSSCGKSA-N 1 1 373.450 2.380 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000120322484 326249720 /nfs/dbraw/zinc/24/97/20/326249720.db2.gz KWAXBUBKWKTARC-AWEZNQCLSA-N 1 1 355.460 2.241 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120838167 326292250 /nfs/dbraw/zinc/29/22/50/326292250.db2.gz WWVFVLGJCJAIDP-QWHCGFSZSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000120838167 326292251 /nfs/dbraw/zinc/29/22/51/326292251.db2.gz WWVFVLGJCJAIDP-QWHCGFSZSA-N 1 1 350.419 2.130 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000120955081 326301843 /nfs/dbraw/zinc/30/18/43/326301843.db2.gz OCIJFRWXAPFRQR-DOTOQJQBSA-N 1 1 367.471 2.026 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000137010174 326657227 /nfs/dbraw/zinc/65/72/27/326657227.db2.gz KSTGIGBGOPREBU-MRXNPFEDSA-N 1 1 362.817 2.499 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000150712408 326666347 /nfs/dbraw/zinc/66/63/47/326666347.db2.gz FKFVOMWBFGSXPV-LBPRGKRZSA-N 1 1 353.444 2.015 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000162723980 327033019 /nfs/dbraw/zinc/03/30/19/327033019.db2.gz JOESIMHDLACJPM-ZFWWWQNUSA-N 1 1 357.414 2.443 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000171807092 327162652 /nfs/dbraw/zinc/16/26/52/327162652.db2.gz VNYRRHOQAXEQMQ-CYBMUJFWSA-N 1 1 361.402 2.349 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172048849 327177926 /nfs/dbraw/zinc/17/79/26/327177926.db2.gz SFGBYFODSNYVCL-PRCBLGNRSA-N 1 1 363.414 2.023 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000172048849 327177927 /nfs/dbraw/zinc/17/79/27/327177927.db2.gz SFGBYFODSNYVCL-PRCBLGNRSA-N 1 1 363.414 2.023 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000172140789 327183564 /nfs/dbraw/zinc/18/35/64/327183564.db2.gz HHNTVWJBZDEGML-ZDUSSCGKSA-N 1 1 350.419 2.087 20 5 FEBDMO O=C(CN1CCC[N@H+](C2CC2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000172346969 327197146 /nfs/dbraw/zinc/19/71/46/327197146.db2.gz USCHCRWFKPVLLL-UHFFFAOYSA-N 1 1 352.822 2.357 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000172505594 327204482 /nfs/dbraw/zinc/20/44/82/327204482.db2.gz MURAKOZFTAZCJJ-HNNXBMFYSA-N 1 1 355.822 2.335 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000173022040 327230978 /nfs/dbraw/zinc/23/09/78/327230978.db2.gz IQXOIIARALEKDI-SNVBAGLBSA-N 1 1 359.835 2.011 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)c1 ZINC000173203120 327240756 /nfs/dbraw/zinc/24/07/56/327240756.db2.gz XHYKZBKIEZJUFS-ZFWWWQNUSA-N 1 1 371.397 2.173 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000173261927 327244830 /nfs/dbraw/zinc/24/48/30/327244830.db2.gz DPTKRTHNMONDTQ-UKRRQHHQSA-N 1 1 355.460 2.254 20 5 FEBDMO CC(C)CN(C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC000173469510 327259297 /nfs/dbraw/zinc/25/92/97/327259297.db2.gz KEKCZAKVKHOQKA-HNNXBMFYSA-N 1 1 363.462 2.369 20 5 FEBDMO CC(C)CN(C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC000173469510 327259298 /nfs/dbraw/zinc/25/92/98/327259298.db2.gz KEKCZAKVKHOQKA-HNNXBMFYSA-N 1 1 363.462 2.369 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000173832205 327287478 /nfs/dbraw/zinc/28/74/78/327287478.db2.gz UVJGBTBJCCHEMD-UONOGXRCSA-N 1 1 353.444 2.151 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000173864624 327289606 /nfs/dbraw/zinc/28/96/06/327289606.db2.gz FKEDALKAYKEVCV-CQSZACIVSA-N 1 1 353.444 2.138 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000173949516 327297241 /nfs/dbraw/zinc/29/72/41/327297241.db2.gz GAKPXLKWTBTADE-CQSZACIVSA-N 1 1 355.460 2.256 20 5 FEBDMO CCc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000174224035 327314084 /nfs/dbraw/zinc/31/40/84/327314084.db2.gz FIRDZJCQSFKGAW-HNNXBMFYSA-N 1 1 361.442 2.342 20 5 FEBDMO C[NH+]1CCN([C@H]2CCCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174369492 327322673 /nfs/dbraw/zinc/32/26/73/327322673.db2.gz VYEREVCZMYJQAH-KRWDZBQOSA-N 1 1 361.446 2.229 20 5 FEBDMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174721252 327345830 /nfs/dbraw/zinc/34/58/30/327345830.db2.gz GGBBCPHKSVJJOY-CYBMUJFWSA-N 1 1 374.319 2.183 20 5 FEBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000174873370 327356633 /nfs/dbraw/zinc/35/66/33/327356633.db2.gz PQPWGZQURWMXPD-UHFFFAOYSA-N 1 1 370.312 2.253 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000174873370 327356634 /nfs/dbraw/zinc/35/66/34/327356634.db2.gz PQPWGZQURWMXPD-UHFFFAOYSA-N 1 1 370.312 2.253 20 5 FEBDMO CCCc1[nH]nc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000175104433 327374310 /nfs/dbraw/zinc/37/43/10/327374310.db2.gz NOZXRTLZVFMKHR-UHFFFAOYSA-N 1 1 374.401 2.023 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000175116986 327375202 /nfs/dbraw/zinc/37/52/02/327375202.db2.gz IQEWBYGCODFDQZ-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261935493 328830377 /nfs/dbraw/zinc/83/03/77/328830377.db2.gz KAEHCLPRHFXEGN-QGZVFWFLSA-N 1 1 359.357 2.286 20 5 FEBDMO Cc1c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000264502222 329030270 /nfs/dbraw/zinc/03/02/70/329030270.db2.gz ILJMEEQLJAHSOF-INIZCTEOSA-N 1 1 360.458 2.145 20 5 FEBDMO C[C@@H](CNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000265753083 329156909 /nfs/dbraw/zinc/15/69/09/329156909.db2.gz XHLJWSROKZOGGR-KBPBESRZSA-N 1 1 367.471 2.160 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266089487 329189075 /nfs/dbraw/zinc/18/90/75/329189075.db2.gz YIVIDQOWAITIGR-IBGZPJMESA-N 1 1 369.421 2.155 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266089487 329189076 /nfs/dbraw/zinc/18/90/76/329189076.db2.gz YIVIDQOWAITIGR-IBGZPJMESA-N 1 1 369.421 2.155 20 5 FEBDMO COCCC[N@H+](C)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000266156631 329195692 /nfs/dbraw/zinc/19/56/92/329195692.db2.gz MBZVJLUCQJOJEK-UHFFFAOYSA-N 1 1 361.446 2.053 20 5 FEBDMO COCCC[N@@H+](C)CCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000266156631 329195693 /nfs/dbraw/zinc/19/56/93/329195693.db2.gz MBZVJLUCQJOJEK-UHFFFAOYSA-N 1 1 361.446 2.053 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266212322 329201134 /nfs/dbraw/zinc/20/11/34/329201134.db2.gz GLXABHSKGIWVSY-GXTWGEPZSA-N 1 1 355.460 2.165 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000266741084 329254863 /nfs/dbraw/zinc/25/48/63/329254863.db2.gz QCUBJBKVHMGKPS-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000266741084 329254864 /nfs/dbraw/zinc/25/48/64/329254864.db2.gz QCUBJBKVHMGKPS-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266965623 329277972 /nfs/dbraw/zinc/27/79/72/329277972.db2.gz XZYWCFGWRCLMQZ-GFCCVEGCSA-N 1 1 359.386 2.145 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267068664 329288706 /nfs/dbraw/zinc/28/87/06/329288706.db2.gz VHSBLCCSNCRHKI-TZMCWYRMSA-N 1 1 353.394 2.097 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160132 329391951 /nfs/dbraw/zinc/39/19/51/329391951.db2.gz VKCRFPAIPCAGRV-WCQYABFASA-N 1 1 351.403 2.071 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC[N@H+]1CC(C)(C)O ZINC000275442498 330049146 /nfs/dbraw/zinc/04/91/46/330049146.db2.gz BVCAXQPCGIQNIN-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000275853168 330096621 /nfs/dbraw/zinc/09/66/21/330096621.db2.gz SCQJYSLQMWQNPX-KBPBESRZSA-N 1 1 364.446 2.142 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000367221115 330232131 /nfs/dbraw/zinc/23/21/31/330232131.db2.gz CZNDHEVXWQCTOT-NSHDSACASA-N 1 1 354.370 2.313 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000371460583 330244390 /nfs/dbraw/zinc/24/43/90/330244390.db2.gz YMQYHLVSSJATPT-ZDUSSCGKSA-N 1 1 371.319 2.358 20 5 FEBDMO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000375783084 330251147 /nfs/dbraw/zinc/25/11/47/330251147.db2.gz BIRLZXVUEGKQJR-DOTOQJQBSA-N 1 1 363.414 2.464 20 5 FEBDMO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000375783084 330251148 /nfs/dbraw/zinc/25/11/48/330251148.db2.gz BIRLZXVUEGKQJR-DOTOQJQBSA-N 1 1 363.414 2.464 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@H]1Cn1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375785712 330251503 /nfs/dbraw/zinc/25/15/03/330251503.db2.gz CXMQLFOXQVYGCZ-KRWDZBQOSA-N 1 1 369.425 2.235 20 5 FEBDMO O=C(C[N@H+]1CCCC[C@H]1Cn1cccn1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000375785712 330251505 /nfs/dbraw/zinc/25/15/05/330251505.db2.gz CXMQLFOXQVYGCZ-KRWDZBQOSA-N 1 1 369.425 2.235 20 5 FEBDMO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478010537 561158049 /nfs/dbraw/zinc/15/80/49/561158049.db2.gz PJWSGTKLSBTFIH-LSDHHAIUSA-N 1 1 350.419 2.235 20 5 FEBDMO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478010537 561158050 /nfs/dbraw/zinc/15/80/50/561158050.db2.gz PJWSGTKLSBTFIH-LSDHHAIUSA-N 1 1 350.419 2.235 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000161726017 546134507 /nfs/dbraw/zinc/13/45/07/546134507.db2.gz UHLYYAZAWYYDKZ-RISCZKNCSA-N 1 1 353.444 2.156 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000161726017 546134511 /nfs/dbraw/zinc/13/45/11/546134511.db2.gz UHLYYAZAWYYDKZ-RISCZKNCSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H](NC(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000175693801 546335208 /nfs/dbraw/zinc/33/52/08/546335208.db2.gz OBFHZZVQHCSWPT-ZQIUZPCESA-N 1 1 362.430 2.018 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176490954 546453483 /nfs/dbraw/zinc/45/34/83/546453483.db2.gz JUVHTEDSAIUOJR-CYBMUJFWSA-N 1 1 368.865 2.252 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1C1CC1 ZINC000177095921 546544147 /nfs/dbraw/zinc/54/41/47/546544147.db2.gz KUSLEMWKRRGWPP-CHWSQXEVSA-N 1 1 355.398 2.136 20 5 FEBDMO CCOc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161207 546558227 /nfs/dbraw/zinc/55/82/27/546558227.db2.gz WEECYGFNDQZOPH-RYUDHWBXSA-N 1 1 363.414 2.357 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000481130068 561225814 /nfs/dbraw/zinc/22/58/14/561225814.db2.gz YUCILWSOJTYMBR-CHWSQXEVSA-N 1 1 362.430 2.158 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000481365892 561231492 /nfs/dbraw/zinc/23/14/92/561231492.db2.gz ASCRTRBBIMGBJB-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000481365892 561231493 /nfs/dbraw/zinc/23/14/93/561231493.db2.gz ASCRTRBBIMGBJB-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)o2)cc1 ZINC000483052143 561265979 /nfs/dbraw/zinc/26/59/79/561265979.db2.gz AGQMGXHXGYYPJP-MRXNPFEDSA-N 1 1 374.397 2.415 20 5 FEBDMO C[N@H+]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000181959765 547413959 /nfs/dbraw/zinc/41/39/59/547413959.db2.gz IVXCNSZTVXPZSQ-INIZCTEOSA-N 1 1 363.458 2.285 20 5 FEBDMO CN1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000181959765 547413961 /nfs/dbraw/zinc/41/39/61/547413961.db2.gz IVXCNSZTVXPZSQ-INIZCTEOSA-N 1 1 363.458 2.285 20 5 FEBDMO CN1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000181959765 547413962 /nfs/dbraw/zinc/41/39/62/547413962.db2.gz IVXCNSZTVXPZSQ-INIZCTEOSA-N 1 1 363.458 2.285 20 5 FEBDMO Cc1cnc(CC[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000182253645 547461589 /nfs/dbraw/zinc/46/15/89/547461589.db2.gz BDYKWBSSMSXUEH-ZDUSSCGKSA-N 1 1 351.428 2.274 20 5 FEBDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000184004358 547753458 /nfs/dbraw/zinc/75/34/58/547753458.db2.gz PAIDQOXCCUBJBO-MRXNPFEDSA-N 1 1 356.426 2.357 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC000484897804 561308087 /nfs/dbraw/zinc/30/80/87/561308087.db2.gz AGGAEHOWFNXJSN-VYDXJSESSA-N 1 1 352.431 2.472 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000184478966 547833792 /nfs/dbraw/zinc/83/37/92/547833792.db2.gz BUDMEXXIBZHHDK-UHFFFAOYSA-N 1 1 359.423 2.195 20 5 FEBDMO Cn1cc(-c2cc(C[N@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)on2)cn1 ZINC000185034509 547920438 /nfs/dbraw/zinc/92/04/38/547920438.db2.gz WXEULRUYGOSRHX-CYBMUJFWSA-N 1 1 369.385 2.065 20 5 FEBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000485561259 561322466 /nfs/dbraw/zinc/32/24/66/561322466.db2.gz SMBLNVCHBNJQCA-PWSUYJOCSA-N 1 1 374.363 2.339 20 5 FEBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000186007804 548073052 /nfs/dbraw/zinc/07/30/52/548073052.db2.gz GLCPTFWGHBLTBZ-SJORKVTESA-N 1 1 361.423 2.319 20 5 FEBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000186007804 548073057 /nfs/dbraw/zinc/07/30/57/548073057.db2.gz GLCPTFWGHBLTBZ-SJORKVTESA-N 1 1 361.423 2.319 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186338207 548122183 /nfs/dbraw/zinc/12/21/83/548122183.db2.gz WVAMTMURVMGVCE-VAFHRPCXSA-N 1 1 374.485 2.388 20 5 FEBDMO CC[C@@H]1C[N@H+](CCNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCO1 ZINC000486042435 561336617 /nfs/dbraw/zinc/33/66/17/561336617.db2.gz XIAHFVYUSPZZLU-CQSZACIVSA-N 1 1 351.403 2.213 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCNc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CCO1 ZINC000486042435 561336618 /nfs/dbraw/zinc/33/66/18/561336618.db2.gz XIAHFVYUSPZZLU-CQSZACIVSA-N 1 1 351.403 2.213 20 5 FEBDMO C[C@@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000194909531 548549044 /nfs/dbraw/zinc/54/90/44/548549044.db2.gz QWAJERKOALWYBL-QLFBSQMISA-N 1 1 364.446 2.406 20 5 FEBDMO C[C@@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000194909531 548549047 /nfs/dbraw/zinc/54/90/47/548549047.db2.gz QWAJERKOALWYBL-QLFBSQMISA-N 1 1 364.446 2.406 20 5 FEBDMO Cc1cc(NC[C@@H]2C[N@H+](C)CCN2C)c(Br)cc1[N+](=O)[O-] ZINC000234319126 548764043 /nfs/dbraw/zinc/76/40/43/548764043.db2.gz VXTAVSVJAUHTFF-LLVKDONJSA-N 1 1 357.252 2.323 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246050937 549042610 /nfs/dbraw/zinc/04/26/10/549042610.db2.gz AXIUHDADXAWVRA-MLGOLLRUSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000246063134 549044786 /nfs/dbraw/zinc/04/47/86/549044786.db2.gz ZDBBKRQHAWMABM-KBPBESRZSA-N 1 1 363.414 2.023 20 5 FEBDMO CC[N@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488641717 561393719 /nfs/dbraw/zinc/39/37/19/561393719.db2.gz FFMAWPVVFAAOKJ-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488641717 561393720 /nfs/dbraw/zinc/39/37/20/561393720.db2.gz FFMAWPVVFAAOKJ-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000246628828 549177827 /nfs/dbraw/zinc/17/78/27/549177827.db2.gz IVRPVKYPVYBFHN-UONOGXRCSA-N 1 1 355.460 2.135 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246654550 549183585 /nfs/dbraw/zinc/18/35/85/549183585.db2.gz LKLMVPAPMNZIOG-BBRMVZONSA-N 1 1 363.414 2.433 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@H](C)O ZINC000246753039 549204194 /nfs/dbraw/zinc/20/41/94/549204194.db2.gz HAKUHPYIFJHRKE-NWDGAFQWSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@H](C)O ZINC000246753039 549204197 /nfs/dbraw/zinc/20/41/97/549204197.db2.gz HAKUHPYIFJHRKE-NWDGAFQWSA-N 1 1 355.822 2.165 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)o2)cc1 ZINC000247277985 549310658 /nfs/dbraw/zinc/31/06/58/549310658.db2.gz SPHXBZJLNWLCRQ-KGLIPLIRSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCS[C@H]4COCC[C@H]43)o2)cc1 ZINC000247277985 549310661 /nfs/dbraw/zinc/31/06/61/549310661.db2.gz SPHXBZJLNWLCRQ-KGLIPLIRSA-N 1 1 362.411 2.351 20 5 FEBDMO Cc1nn(CCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000248133247 549409364 /nfs/dbraw/zinc/40/93/64/549409364.db2.gz WYIMCYLKOWKCMV-APWZRJJASA-N 1 1 371.441 2.360 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCO[C@H]1C ZINC000489395455 561409834 /nfs/dbraw/zinc/40/98/34/561409834.db2.gz CTWVZFUNRSBULI-YOEHRIQHSA-N 1 1 365.430 2.358 20 5 FEBDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249144318 549560647 /nfs/dbraw/zinc/56/06/47/549560647.db2.gz XAFVXYIZXUSSHW-UONOGXRCSA-N 1 1 364.446 2.142 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000252012483 549661740 /nfs/dbraw/zinc/66/17/40/549661740.db2.gz XUEJIGSJNFNCPA-BLLLJJGKSA-N 1 1 351.403 2.289 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)n2)cc1 ZINC000263641629 549911698 /nfs/dbraw/zinc/91/16/98/549911698.db2.gz CGODVDACOBUMMS-ZDUSSCGKSA-N 1 1 360.370 2.230 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](C4OCCO4)C3)n2)cc1 ZINC000263641629 549911702 /nfs/dbraw/zinc/91/17/02/549911702.db2.gz CGODVDACOBUMMS-ZDUSSCGKSA-N 1 1 360.370 2.230 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491094351 561442890 /nfs/dbraw/zinc/44/28/90/561442890.db2.gz YNCXRHYQMWREJB-QGZVFWFLSA-N 1 1 350.438 2.336 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000493150201 561454779 /nfs/dbraw/zinc/45/47/79/561454779.db2.gz HIKDZWXFKQXPIQ-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO CCOc1cc(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000493573496 561457061 /nfs/dbraw/zinc/45/70/61/561457061.db2.gz PIMZLZIDCPWWHI-CQSZACIVSA-N 1 1 351.447 2.271 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n1 ZINC000270755857 550303926 /nfs/dbraw/zinc/30/39/26/550303926.db2.gz DIBXDVHKUMUADD-LBPRGKRZSA-N 1 1 363.443 2.032 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)n1 ZINC000494005732 561460732 /nfs/dbraw/zinc/46/07/32/561460732.db2.gz CGQCXFHXIGIFNP-DZGCQCFKSA-N 1 1 357.414 2.204 20 5 FEBDMO C[C@@H]1[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000494039912 561461320 /nfs/dbraw/zinc/46/13/20/561461320.db2.gz VZWHJVJZYUAASD-IUODEOHRSA-N 1 1 356.382 2.088 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000270973287 550327530 /nfs/dbraw/zinc/32/75/30/550327530.db2.gz UFJWCUZTDJEDLX-ZFWWWQNUSA-N 1 1 357.414 2.111 20 5 FEBDMO C[N@@H+]1CC=C(CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000271799375 550403083 /nfs/dbraw/zinc/40/30/83/550403083.db2.gz DFUCNZBXIJDMCE-UHFFFAOYSA-N 1 1 354.204 2.349 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000272535279 550456808 /nfs/dbraw/zinc/45/68/08/550456808.db2.gz NALIYUFPKBGGQD-BETUJISGSA-N 1 1 371.384 2.302 20 5 FEBDMO Cc1nn(C)c(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1[N+](=O)[O-] ZINC000273080689 550484204 /nfs/dbraw/zinc/48/42/04/550484204.db2.gz HDWHPDXVLGSJSG-MRXNPFEDSA-N 1 1 359.430 2.206 20 5 FEBDMO COC1CCC([N@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273326806 550494387 /nfs/dbraw/zinc/49/43/87/550494387.db2.gz LJWOFRKKYNEZEY-UHFFFAOYSA-N 1 1 356.444 2.258 20 5 FEBDMO COC1CCC([N@@H+](C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273326806 550494388 /nfs/dbraw/zinc/49/43/88/550494388.db2.gz LJWOFRKKYNEZEY-UHFFFAOYSA-N 1 1 356.444 2.258 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000273339375 550495067 /nfs/dbraw/zinc/49/50/67/550495067.db2.gz NLWZWPDTPMKBKC-OAHLLOKOSA-N 1 1 350.415 2.227 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[S@@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277184688 550641068 /nfs/dbraw/zinc/64/10/68/550641068.db2.gz LMTQBQBHIQABBT-MCFWBGNESA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)[S@@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277184688 550641069 /nfs/dbraw/zinc/64/10/69/550641069.db2.gz LMTQBQBHIQABBT-MCFWBGNESA-N 1 1 353.444 2.075 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCO1 ZINC000277211075 550644059 /nfs/dbraw/zinc/64/40/59/550644059.db2.gz KPILKOXCSOTTRI-LBPRGKRZSA-N 1 1 354.382 2.356 20 5 FEBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]2CO)cn1 ZINC000277657368 550697421 /nfs/dbraw/zinc/69/74/21/550697421.db2.gz DNGJDUDRKGJLPZ-KBPBESRZSA-N 1 1 350.806 2.190 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278664490 550809378 /nfs/dbraw/zinc/80/93/78/550809378.db2.gz KXSLSFMXNWFTBG-CYBMUJFWSA-N 1 1 374.445 2.487 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000279362765 550881760 /nfs/dbraw/zinc/88/17/60/550881760.db2.gz RWKFZXQNEAWGPF-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000279362765 550881762 /nfs/dbraw/zinc/88/17/62/550881762.db2.gz RWKFZXQNEAWGPF-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000279927762 550943778 /nfs/dbraw/zinc/94/37/78/550943778.db2.gz WPLPOAYSGUEEHH-CHWSQXEVSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000279927762 550943779 /nfs/dbraw/zinc/94/37/79/550943779.db2.gz WPLPOAYSGUEEHH-CHWSQXEVSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280264669 550975280 /nfs/dbraw/zinc/97/52/80/550975280.db2.gz MCDHJXMZQVIHEQ-IFXJQAMLSA-N 1 1 372.425 2.375 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000280264669 550975281 /nfs/dbraw/zinc/97/52/81/550975281.db2.gz MCDHJXMZQVIHEQ-IFXJQAMLSA-N 1 1 372.425 2.375 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CC2CCC2)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000280277307 550976162 /nfs/dbraw/zinc/97/61/62/550976162.db2.gz DFVAXMAUBLISON-LBPRGKRZSA-N 1 1 351.403 2.025 20 5 FEBDMO CN(CC(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390050 561500061 /nfs/dbraw/zinc/50/00/61/561500061.db2.gz YNRPBGKBNVZBDU-IRXDYDNUSA-N 1 1 368.437 2.245 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000497410465 561500358 /nfs/dbraw/zinc/50/03/58/561500358.db2.gz HGRZOOAQUXZFJR-UONOGXRCSA-N 1 1 357.414 2.269 20 5 FEBDMO COC(=O)[C@]1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000282241601 551199790 /nfs/dbraw/zinc/19/97/90/551199790.db2.gz BMQAZGDPERJFQW-FZKQIMNGSA-N 1 1 363.414 2.363 20 5 FEBDMO COc1cccc(CNC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282552622 551245696 /nfs/dbraw/zinc/24/56/96/551245696.db2.gz XKYPRTISFNSQSW-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO COc1cccc(CNC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282552622 551245698 /nfs/dbraw/zinc/24/56/98/551245698.db2.gz XKYPRTISFNSQSW-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284937723 551671614 /nfs/dbraw/zinc/67/16/14/551671614.db2.gz DRSWBQBMAGNQBR-CYBMUJFWSA-N 1 1 359.430 2.363 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498922235 561537913 /nfs/dbraw/zinc/53/79/13/561537913.db2.gz BFMNSIFFGZZSSZ-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498922235 561537914 /nfs/dbraw/zinc/53/79/14/561537914.db2.gz BFMNSIFFGZZSSZ-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498922235 561537915 /nfs/dbraw/zinc/53/79/15/561537915.db2.gz BFMNSIFFGZZSSZ-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000499464370 561551594 /nfs/dbraw/zinc/55/15/94/561551594.db2.gz NLUNSFNXQRXAAU-LSDHHAIUSA-N 1 1 371.441 2.221 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000289351173 552305476 /nfs/dbraw/zinc/30/54/76/552305476.db2.gz JCINLOONLPTBLO-PPYMECGQSA-N 1 1 367.471 2.211 20 5 FEBDMO C[C@@]1(C[C@@H]2CCC[N@H+]2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623594 552351725 /nfs/dbraw/zinc/35/17/25/552351725.db2.gz LQFFZDTYDIVCEI-GLERGHRYSA-N 1 1 358.398 2.061 20 5 FEBDMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)NC(=O)NC1=O ZINC000289661893 552358366 /nfs/dbraw/zinc/35/83/66/552358366.db2.gz NFHVIVKOKPAJNK-MLGOLLRUSA-N 1 1 366.805 2.201 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289746669 552372052 /nfs/dbraw/zinc/37/20/52/552372052.db2.gz FDEKVRCJBXMHGW-OAHLLOKOSA-N 1 1 373.413 2.384 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000289937836 552402629 /nfs/dbraw/zinc/40/26/29/552402629.db2.gz WUQVMWRDVMJBPU-AWEZNQCLSA-N 1 1 363.462 2.162 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290019080 552415084 /nfs/dbraw/zinc/41/50/84/552415084.db2.gz VADFXRIDQKEPSQ-KBPBESRZSA-N 1 1 366.805 2.131 20 5 FEBDMO NC(=O)c1ccnc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000290442459 552479499 /nfs/dbraw/zinc/47/94/99/552479499.db2.gz CCZWQPOHJZUZIY-AWEZNQCLSA-N 1 1 355.398 2.165 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC(F)(F)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000291777475 552660623 /nfs/dbraw/zinc/66/06/23/552660623.db2.gz MBIXJPBINLQQSI-LBPRGKRZSA-N 1 1 357.357 2.181 20 5 FEBDMO O=C1NCCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1Cc1ccccc1 ZINC000292855403 552765265 /nfs/dbraw/zinc/76/52/65/552765265.db2.gz CCBYJWMOEWNXBF-RBUKOAKNSA-N 1 1 369.421 2.061 20 5 FEBDMO O=C1NCCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1Cc1ccccc1 ZINC000292855403 552765267 /nfs/dbraw/zinc/76/52/67/552765267.db2.gz CCBYJWMOEWNXBF-RBUKOAKNSA-N 1 1 369.421 2.061 20 5 FEBDMO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCCCCn2cccn2)CC1 ZINC000293119586 552790545 /nfs/dbraw/zinc/79/05/45/552790545.db2.gz MFVFLDFDBITXDD-UHFFFAOYSA-N 1 1 371.441 2.420 20 5 FEBDMO COCC1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000293377683 552817292 /nfs/dbraw/zinc/81/72/92/552817292.db2.gz IELKLKRPBAYKIJ-QGZVFWFLSA-N 1 1 374.441 2.451 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](O)Cc1ccccc1 ZINC000293436359 552823522 /nfs/dbraw/zinc/82/35/22/552823522.db2.gz UUODLKXABFFLJU-GOSISDBHSA-N 1 1 369.421 2.019 20 5 FEBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C[C@H](O)Cc1ccccc1 ZINC000293436359 552823523 /nfs/dbraw/zinc/82/35/23/552823523.db2.gz UUODLKXABFFLJU-GOSISDBHSA-N 1 1 369.421 2.019 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000293479778 552827953 /nfs/dbraw/zinc/82/79/53/552827953.db2.gz YBDMSJKWRQJYLY-INIZCTEOSA-N 1 1 357.410 2.459 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c[nH]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC000293961442 552871261 /nfs/dbraw/zinc/87/12/61/552871261.db2.gz SZDOHPGAWZNUON-DLBZAZTESA-N 1 1 358.398 2.011 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295111426 552959966 /nfs/dbraw/zinc/95/99/66/552959966.db2.gz LSTVULYOVQJNCP-HNNXBMFYSA-N 1 1 353.419 2.221 20 5 FEBDMO C[C@@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1=CC[N@@H+](C)CC1 ZINC000295630539 553036584 /nfs/dbraw/zinc/03/65/84/553036584.db2.gz BGGNILOORNJLHM-GFCCVEGCSA-N 1 1 355.398 2.365 20 5 FEBDMO CC(C)(CCC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)[N+](=O)[O-] ZINC000295668096 553041881 /nfs/dbraw/zinc/04/18/81/553041881.db2.gz JMXQXWCSFPNFRF-QGZVFWFLSA-N 1 1 363.458 2.095 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296855455 553221117 /nfs/dbraw/zinc/22/11/17/553221117.db2.gz TYZXNFCRMFRVQO-STQMWFEESA-N 1 1 353.419 2.473 20 5 FEBDMO CCC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)O ZINC000298042071 553375839 /nfs/dbraw/zinc/37/58/39/553375839.db2.gz GUOFYHFCJTXHRY-UHFFFAOYSA-N 1 1 353.419 2.415 20 5 FEBDMO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000298424918 553423350 /nfs/dbraw/zinc/42/33/50/553423350.db2.gz XYSUXRMQDXAXJR-HIFRSBDPSA-N 1 1 354.428 2.446 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000299194566 553528370 /nfs/dbraw/zinc/52/83/70/553528370.db2.gz DJQSJPCQLQLUGT-ZDUSSCGKSA-N 1 1 374.441 2.175 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427856 553561821 /nfs/dbraw/zinc/56/18/21/553561821.db2.gz XJPSPZFMWKIITI-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000299731442 553609096 /nfs/dbraw/zinc/60/90/96/553609096.db2.gz XFKJFHFPJNHRAV-OAHLLOKOSA-N 1 1 353.419 2.271 20 5 FEBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301061604 553618304 /nfs/dbraw/zinc/61/83/04/553618304.db2.gz BPXWRZOUHQOIKZ-UHFFFAOYSA-N 1 1 374.363 2.262 20 5 FEBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301061604 553618306 /nfs/dbraw/zinc/61/83/06/553618306.db2.gz BPXWRZOUHQOIKZ-UHFFFAOYSA-N 1 1 374.363 2.262 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301866994 553686696 /nfs/dbraw/zinc/68/66/96/553686696.db2.gz GFVGXAYNIKNCMT-CYBMUJFWSA-N 1 1 355.460 2.388 20 5 FEBDMO C[N@H+]1CCN(CCCNc2ncc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000302179789 553709197 /nfs/dbraw/zinc/70/91/97/553709197.db2.gz YYEUCEKJTZERDB-KRWDZBQOSA-N 1 1 356.430 2.176 20 5 FEBDMO CN1CC[N@H+](CCCNc2ncc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000302179789 553709201 /nfs/dbraw/zinc/70/92/01/553709201.db2.gz YYEUCEKJTZERDB-KRWDZBQOSA-N 1 1 356.430 2.176 20 5 FEBDMO CN1CC[N@@H+](CCCNc2ncc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1 ZINC000302179789 553709204 /nfs/dbraw/zinc/70/92/04/553709204.db2.gz YYEUCEKJTZERDB-KRWDZBQOSA-N 1 1 356.430 2.176 20 5 FEBDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000506265763 561694521 /nfs/dbraw/zinc/69/45/21/561694521.db2.gz YWEGVWZLEBYYPC-AWEZNQCLSA-N 1 1 372.381 2.420 20 5 FEBDMO COc1ccc(C[N@H+](C)CC(N)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506459416 561699340 /nfs/dbraw/zinc/69/93/40/561699340.db2.gz LQLPNNSIXVXXHF-UHFFFAOYSA-N 1 1 359.382 2.100 20 5 FEBDMO COc1ccc(C[N@@H+](C)CC(N)=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000506459416 561699341 /nfs/dbraw/zinc/69/93/41/561699341.db2.gz LQLPNNSIXVXXHF-UHFFFAOYSA-N 1 1 359.382 2.100 20 5 FEBDMO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331280510 554240608 /nfs/dbraw/zinc/24/06/08/554240608.db2.gz FFAYUIZPGLSDNT-NWDGAFQWSA-N 1 1 359.423 2.133 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331280510 554240610 /nfs/dbraw/zinc/24/06/10/554240610.db2.gz FFAYUIZPGLSDNT-NWDGAFQWSA-N 1 1 359.423 2.133 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331736620 554318934 /nfs/dbraw/zinc/31/89/34/554318934.db2.gz UEVYCOICDGLMPM-KXBFYZLASA-N 1 1 361.442 2.414 20 5 FEBDMO Cc1ncc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cn1 ZINC000509621753 561807696 /nfs/dbraw/zinc/80/76/96/561807696.db2.gz ALWVWFWHMDQCRU-UHFFFAOYSA-N 1 1 367.413 2.282 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000332470929 554452036 /nfs/dbraw/zinc/45/20/36/554452036.db2.gz UYMOUDPBZHQTMA-UHFFFAOYSA-N 1 1 350.400 2.126 20 5 FEBDMO O=C(c1ccc[nH]1)N1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000359941652 554857510 /nfs/dbraw/zinc/85/75/10/554857510.db2.gz NKLWTQUIOFJLRN-UHFFFAOYSA-N 1 1 358.398 2.150 20 5 FEBDMO O=C(c1ccc[nH]1)N1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000359941652 554857512 /nfs/dbraw/zinc/85/75/12/554857512.db2.gz NKLWTQUIOFJLRN-UHFFFAOYSA-N 1 1 358.398 2.150 20 5 FEBDMO C[NH+]1CCN(C[C@H]2CCCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)CC1 ZINC000360468783 554876157 /nfs/dbraw/zinc/87/61/57/554876157.db2.gz XHKFZPXRHXSIDO-CYBMUJFWSA-N 1 1 354.401 2.337 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787822 554988481 /nfs/dbraw/zinc/98/84/81/554988481.db2.gz LCBLCUDWFQLBKC-IAGOWNOFSA-N 1 1 374.441 2.132 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363043090 555017283 /nfs/dbraw/zinc/01/72/83/555017283.db2.gz VOKVRMCKADQMIP-KBPBESRZSA-N 1 1 357.414 2.220 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000363231460 555059833 /nfs/dbraw/zinc/05/98/33/555059833.db2.gz VNHZLXLOUNAQHE-UHFFFAOYSA-N 1 1 350.419 2.479 20 5 FEBDMO COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)C2 ZINC000363711459 555169670 /nfs/dbraw/zinc/16/96/70/555169670.db2.gz JIBLHSVZCKSPMD-FZKQIMNGSA-N 1 1 372.381 2.420 20 5 FEBDMO C[C@@H]1C[N@H+](CCC2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1 ZINC000364229615 555274360 /nfs/dbraw/zinc/27/43/60/555274360.db2.gz NSYODBQLBYBQIH-GASCZTMLSA-N 1 1 365.478 2.040 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000364322092 555290828 /nfs/dbraw/zinc/29/08/28/555290828.db2.gz DMDYZVXFFHDKCE-ZIAGYGMSSA-N 1 1 352.387 2.016 20 5 FEBDMO CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364492861 555323592 /nfs/dbraw/zinc/32/35/92/555323592.db2.gz SDVXPPMGEAKJJO-AWEZNQCLSA-N 1 1 358.464 2.033 20 5 FEBDMO CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364492861 555323593 /nfs/dbraw/zinc/32/35/93/555323593.db2.gz SDVXPPMGEAKJJO-AWEZNQCLSA-N 1 1 358.464 2.033 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000364504185 555325619 /nfs/dbraw/zinc/32/56/19/555325619.db2.gz GEVUDYVTIMLNAR-CQSZACIVSA-N 1 1 353.444 2.070 20 5 FEBDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512458170 561905928 /nfs/dbraw/zinc/90/59/28/561905928.db2.gz YSFXABBFJOVFRO-GDBMZVCRSA-N 1 1 361.442 2.499 20 5 FEBDMO C[C@H](CO)[N@H+]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000364892681 555428154 /nfs/dbraw/zinc/42/81/54/555428154.db2.gz GIBMUGXOHHVWKO-OAHLLOKOSA-N 1 1 374.441 2.181 20 5 FEBDMO C[C@H](CO)N1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000364892681 555428156 /nfs/dbraw/zinc/42/81/56/555428156.db2.gz GIBMUGXOHHVWKO-OAHLLOKOSA-N 1 1 374.441 2.181 20 5 FEBDMO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000513255378 561931119 /nfs/dbraw/zinc/93/11/19/561931119.db2.gz GGXHBOFFHIEHOK-MNOVXSKESA-N 1 1 353.325 2.359 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513419574 561937573 /nfs/dbraw/zinc/93/75/73/561937573.db2.gz IPCKIWKSKLZIIU-DZGCQCFKSA-N 1 1 357.414 2.443 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513698246 561946967 /nfs/dbraw/zinc/94/69/67/561946967.db2.gz YFVSOQBUJRBVGD-RHSMWYFYSA-N 1 1 352.398 2.288 20 5 FEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366578921 555881630 /nfs/dbraw/zinc/88/16/30/555881630.db2.gz QKFDSSAGIKXIGI-KBXCAEBGSA-N 1 1 363.414 2.193 20 5 FEBDMO Cc1cc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000367395538 556037241 /nfs/dbraw/zinc/03/72/41/556037241.db2.gz XUSUOTNHAQAVOJ-UHFFFAOYSA-N 1 1 371.397 2.106 20 5 FEBDMO CC(=O)c1cc(N2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437468 556048451 /nfs/dbraw/zinc/04/84/51/556048451.db2.gz WMZJWYIWJSJYHU-RDTXWAMCSA-N 1 1 360.458 2.260 20 5 FEBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCc2cccnc21 ZINC000368368863 556289626 /nfs/dbraw/zinc/28/96/26/556289626.db2.gz CSKKKCVTTLZHOR-QGZVFWFLSA-N 1 1 372.425 2.178 20 5 FEBDMO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369007042 556474180 /nfs/dbraw/zinc/47/41/80/556474180.db2.gz BTSFNULYDLNHKA-RDJZCZTQSA-N 1 1 360.414 2.177 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000369018195 556478092 /nfs/dbraw/zinc/47/80/92/556478092.db2.gz RRQSSOKARVFHCY-DOTOQJQBSA-N 1 1 355.398 2.234 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000369018195 556478093 /nfs/dbraw/zinc/47/80/93/556478093.db2.gz RRQSSOKARVFHCY-DOTOQJQBSA-N 1 1 355.398 2.234 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000369379603 556585343 /nfs/dbraw/zinc/58/53/43/556585343.db2.gz NBSATQQFVJLSLV-HNNXBMFYSA-N 1 1 372.429 2.378 20 5 FEBDMO Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc([N+](=O)[O-])s3)CCC[N@H+]2C)cn1 ZINC000369818889 556703828 /nfs/dbraw/zinc/70/38/28/556703828.db2.gz KBVKDVCICGGTGU-IAQYHMDHSA-N 1 1 363.443 2.203 20 5 FEBDMO COC[C@@H]1CCCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000369940861 556736724 /nfs/dbraw/zinc/73/67/24/556736724.db2.gz XXJMODMHGODEBH-CQSZACIVSA-N 1 1 356.444 2.117 20 5 FEBDMO COC[C@@H]1CCCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000369940861 556736725 /nfs/dbraw/zinc/73/67/25/556736725.db2.gz XXJMODMHGODEBH-CQSZACIVSA-N 1 1 356.444 2.117 20 5 FEBDMO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@@H+]1C1CCN(C)CC1 ZINC000370121531 556786475 /nfs/dbraw/zinc/78/64/75/556786475.db2.gz MSHMXYZOQFCOFC-AWEZNQCLSA-N 1 1 359.474 2.168 20 5 FEBDMO C[C@H]1CN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC[N@H+]1C1CCN(C)CC1 ZINC000370121531 556786477 /nfs/dbraw/zinc/78/64/77/556786477.db2.gz MSHMXYZOQFCOFC-AWEZNQCLSA-N 1 1 359.474 2.168 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370408947 556863656 /nfs/dbraw/zinc/86/36/56/556863656.db2.gz ZQLARHCTUCLUQP-LJQANCHMSA-N 1 1 374.441 2.176 20 5 FEBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370554612 556907571 /nfs/dbraw/zinc/90/75/71/556907571.db2.gz CYXPDMJSQRQWBU-WBVHZDCISA-N 1 1 362.430 2.037 20 5 FEBDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370818522 556977735 /nfs/dbraw/zinc/97/77/35/556977735.db2.gz GRTBVRMRKMRDFD-KRWDZBQOSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1cc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000370818522 556977738 /nfs/dbraw/zinc/97/77/38/556977738.db2.gz GRTBVRMRKMRDFD-KRWDZBQOSA-N 1 1 360.458 2.144 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827257 556981257 /nfs/dbraw/zinc/98/12/57/556981257.db2.gz RIEQAXZKDWYYBR-GXTWGEPZSA-N 1 1 373.331 2.207 20 5 FEBDMO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370847606 556989210 /nfs/dbraw/zinc/98/92/10/556989210.db2.gz ZWUOGFSWFLZLRF-INIZCTEOSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1c(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370847606 556989213 /nfs/dbraw/zinc/98/92/13/556989213.db2.gz ZWUOGFSWFLZLRF-INIZCTEOSA-N 1 1 360.458 2.144 20 5 FEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000371128238 557083199 /nfs/dbraw/zinc/08/31/99/557083199.db2.gz KRSBZCBUMUZUQX-OAHLLOKOSA-N 1 1 358.398 2.424 20 5 FEBDMO CCN1CCC([N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000371258561 557122233 /nfs/dbraw/zinc/12/22/33/557122233.db2.gz BGPKQYAEAUOCEA-SFHVURJKSA-N 1 1 363.458 2.283 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372156394 557394520 /nfs/dbraw/zinc/39/45/20/557394520.db2.gz KHIOCXUHTLMPFA-KGLIPLIRSA-N 1 1 363.414 2.290 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000372639205 557527574 /nfs/dbraw/zinc/52/75/74/557527574.db2.gz MBSXVFPIULGUQT-UHFFFAOYSA-N 1 1 362.430 2.032 20 5 FEBDMO Cc1nc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])nc2ccccc12 ZINC000519637590 562138151 /nfs/dbraw/zinc/13/81/51/562138151.db2.gz JQVQOEGMTXGMCR-AWEZNQCLSA-N 1 1 368.393 2.376 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000373098354 557628328 /nfs/dbraw/zinc/62/83/28/557628328.db2.gz IZTYURHEZIVGMO-CQSZACIVSA-N 1 1 357.414 2.455 20 5 FEBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)CC2)C1CC1 ZINC000373217967 557651505 /nfs/dbraw/zinc/65/15/05/557651505.db2.gz RZRXDYWCCYSUIX-CYBMUJFWSA-N 1 1 360.414 2.032 20 5 FEBDMO CCOc1cc(C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000373591615 557725177 /nfs/dbraw/zinc/72/51/77/557725177.db2.gz GHFDPVFHZSWLQM-KBXCAEBGSA-N 1 1 364.398 2.005 20 5 FEBDMO CC(C)NC(=O)c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000373672497 557735690 /nfs/dbraw/zinc/73/56/90/557735690.db2.gz IEPDOFADDIGQBG-CABCVRRESA-N 1 1 362.430 2.008 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000520901957 562165928 /nfs/dbraw/zinc/16/59/28/562165928.db2.gz QOKHIAXCAXTGDZ-JTQLQIEISA-N 1 1 356.810 2.032 20 5 FEBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598584 557904790 /nfs/dbraw/zinc/90/47/90/557904790.db2.gz XUAAWFFYIUYUDQ-SKDZVZGDSA-N 1 1 360.414 2.244 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](n3ncc4ccccc43)C2)c([N+](=O)[O-])c1 ZINC000374755571 557926190 /nfs/dbraw/zinc/92/61/90/557926190.db2.gz SBUNNEVYDKTQAK-MRXNPFEDSA-N 1 1 365.393 2.490 20 5 FEBDMO C[C@H]([C@@H]1CN(Cc2ccccc2)CCO1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883172 557945655 /nfs/dbraw/zinc/94/56/55/557945655.db2.gz RLPBFJVDSGYPBP-APWZRJJASA-N 1 1 373.457 2.013 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000375085584 557975332 /nfs/dbraw/zinc/97/53/32/557975332.db2.gz TVUWEOXBRSZNFY-GFCCVEGCSA-N 1 1 368.821 2.434 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c1F ZINC000375224287 557994516 /nfs/dbraw/zinc/99/45/16/557994516.db2.gz YYSGAVVZNMCPSB-JSGCOSHPSA-N 1 1 351.378 2.025 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)c1F ZINC000375224287 557994518 /nfs/dbraw/zinc/99/45/18/557994518.db2.gz YYSGAVVZNMCPSB-JSGCOSHPSA-N 1 1 351.378 2.025 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466933 558032061 /nfs/dbraw/zinc/03/20/61/558032061.db2.gz XGRBEJDNICYJNE-UKRRQHHQSA-N 1 1 374.397 2.084 20 5 FEBDMO O=C(CC[N@H+]1CCCC[C@H]1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000375594876 558054290 /nfs/dbraw/zinc/05/42/90/558054290.db2.gz BZCGABJNVYNAGK-HNNXBMFYSA-N 1 1 374.441 2.400 20 5 FEBDMO CC(C)N1CCN([C@@H]2CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375907620 558097992 /nfs/dbraw/zinc/09/79/92/558097992.db2.gz YMOFLSOLHNUGEV-GOSISDBHSA-N 1 1 362.474 2.074 20 5 FEBDMO CC(C)N1CCN([C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375907620 558097994 /nfs/dbraw/zinc/09/79/94/558097994.db2.gz YMOFLSOLHNUGEV-GOSISDBHSA-N 1 1 362.474 2.074 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521650662 562181441 /nfs/dbraw/zinc/18/14/41/562181441.db2.gz WEKUQMOHVLIXRY-LBPRGKRZSA-N 1 1 361.398 2.113 20 5 FEBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000376269412 558150090 /nfs/dbraw/zinc/15/00/90/558150090.db2.gz ZFGWFSDARJMVSJ-UHFFFAOYSA-N 1 1 369.425 2.460 20 5 FEBDMO COc1cc(C(=O)NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000522435553 562198428 /nfs/dbraw/zinc/19/84/28/562198428.db2.gz WKZYKOWHDYYNPR-UHFFFAOYSA-N 1 1 361.345 2.275 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000378012021 558463076 /nfs/dbraw/zinc/46/30/76/558463076.db2.gz USJOKZVWUBLNRR-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000378085473 558477255 /nfs/dbraw/zinc/47/72/55/558477255.db2.gz GEOCPQRRMCBLPE-JTQLQIEISA-N 1 1 357.382 2.136 20 5 FEBDMO CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000523649449 562216594 /nfs/dbraw/zinc/21/65/94/562216594.db2.gz OLUBLODWZVOTNX-HIFRSBDPSA-N 1 1 363.414 2.046 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000408342949 558669081 /nfs/dbraw/zinc/66/90/81/558669081.db2.gz MFXMEHRSLMZZBV-HUUCEWRRSA-N 1 1 353.444 2.117 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000525103987 562240574 /nfs/dbraw/zinc/24/05/74/562240574.db2.gz VUJCBVWOPVXTBC-VXGBXAGGSA-N 1 1 351.403 2.215 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411601728 558927227 /nfs/dbraw/zinc/92/72/27/558927227.db2.gz BBDQZWNYIGQTED-AVGNSLFASA-N 1 1 351.403 2.430 20 5 FEBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411617224 558929900 /nfs/dbraw/zinc/92/99/00/558929900.db2.gz KOKKIEBKJKQZAW-MJEQTWJJSA-N 1 1 361.398 2.197 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000412086922 559011692 /nfs/dbraw/zinc/01/16/92/559011692.db2.gz RORDEUXRBRLGBN-AWEZNQCLSA-N 1 1 362.430 2.221 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000412086925 559011912 /nfs/dbraw/zinc/01/19/12/559011912.db2.gz RORDEUXRBRLGBN-CQSZACIVSA-N 1 1 362.430 2.221 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412165232 559017903 /nfs/dbraw/zinc/01/79/03/559017903.db2.gz UKJNBJMMTAETTB-GFCCVEGCSA-N 1 1 353.394 2.228 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c(F)c1 ZINC000413189636 559087270 /nfs/dbraw/zinc/08/72/70/559087270.db2.gz CHTHJZOOSLBUDC-WMLDXEAASA-N 1 1 360.389 2.424 20 5 FEBDMO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415098156 559205142 /nfs/dbraw/zinc/20/51/42/559205142.db2.gz UZPMKALIEWLENW-QGZVFWFLSA-N 1 1 356.426 2.441 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420373773 559483692 /nfs/dbraw/zinc/48/36/92/559483692.db2.gz NFQHHVKBUDMFNZ-SFHVURJKSA-N 1 1 362.430 2.008 20 5 FEBDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420458811 559488658 /nfs/dbraw/zinc/48/86/58/559488658.db2.gz KZSWGNBUGASFQR-UHFFFAOYSA-N 1 1 361.423 2.343 20 5 FEBDMO O=[N+]([O-])c1cnc2c(c1)CN(Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000420953261 559513786 /nfs/dbraw/zinc/51/37/86/559513786.db2.gz UWSJWCNTFABVJS-UHFFFAOYSA-N 1 1 368.437 2.380 20 5 FEBDMO O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000421211202 559531218 /nfs/dbraw/zinc/53/12/18/559531218.db2.gz ICIDPQBIUVCFJE-UHFFFAOYSA-N 1 1 363.801 2.290 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000421766008 559552564 /nfs/dbraw/zinc/55/25/64/559552564.db2.gz BRJHPZRFVNRBCZ-KRWDZBQOSA-N 1 1 374.485 2.454 20 5 FEBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000423948161 559647571 /nfs/dbraw/zinc/64/75/71/559647571.db2.gz KQQCBIBFPQZPQN-UHFFFAOYSA-N 1 1 372.425 2.287 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)CCC(F)(F)F ZINC000427286506 559752154 /nfs/dbraw/zinc/75/21/54/559752154.db2.gz GDCVJQWOOHIYQU-UHFFFAOYSA-N 1 1 366.315 2.320 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429398386 559797790 /nfs/dbraw/zinc/79/77/90/559797790.db2.gz ICFQDEYMNPAQEH-WWGRRREGSA-N 1 1 363.414 2.441 20 5 FEBDMO CC(C)[C@@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000429833185 559806725 /nfs/dbraw/zinc/80/67/25/559806725.db2.gz WCSYILJXXIAVFE-QGZVFWFLSA-N 1 1 363.458 2.345 20 5 FEBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433954935 559891188 /nfs/dbraw/zinc/89/11/88/559891188.db2.gz XYBNREDVWOZOCF-OAHLLOKOSA-N 1 1 361.446 2.323 20 5 FEBDMO Cc1ccc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000440509744 560012941 /nfs/dbraw/zinc/01/29/41/560012941.db2.gz JJLYNWSNLNPJDR-FQEVSTJZSA-N 1 1 369.421 2.270 20 5 FEBDMO COc1cc(C[NH2+]Cc2cccc(N3CCC3=O)c2)c([N+](=O)[O-])cc1O ZINC000441205174 560026289 /nfs/dbraw/zinc/02/62/89/560026289.db2.gz QLTQVXATXNRCFA-UHFFFAOYSA-N 1 1 357.366 2.336 20 5 FEBDMO C[C@@H]1CN(C[C@@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000441244373 560026924 /nfs/dbraw/zinc/02/69/24/560026924.db2.gz BTEWFKHAJXYQHO-IIDMSEBBSA-N 1 1 363.458 2.029 20 5 FEBDMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000441244373 560026925 /nfs/dbraw/zinc/02/69/25/560026925.db2.gz BTEWFKHAJXYQHO-IIDMSEBBSA-N 1 1 363.458 2.029 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H](O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H](C)O1 ZINC000441244373 560026926 /nfs/dbraw/zinc/02/69/26/560026926.db2.gz BTEWFKHAJXYQHO-IIDMSEBBSA-N 1 1 363.458 2.029 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000446080625 560139575 /nfs/dbraw/zinc/13/95/75/560139575.db2.gz MPLLXUJVDQTVOR-RWMBFGLXSA-N 1 1 351.403 2.430 20 5 FEBDMO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C1CCN(C)CC1 ZINC000447687738 560167124 /nfs/dbraw/zinc/16/71/24/560167124.db2.gz VHYBITCKLUAVCK-CYBMUJFWSA-N 1 1 358.446 2.076 20 5 FEBDMO C[C@@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C1CC[NH+](C)CC1 ZINC000447687738 560167125 /nfs/dbraw/zinc/16/71/25/560167125.db2.gz VHYBITCKLUAVCK-CYBMUJFWSA-N 1 1 358.446 2.076 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447941520 560174128 /nfs/dbraw/zinc/17/41/28/560174128.db2.gz KSAIEMRBQXIMPM-HNNXBMFYSA-N 1 1 355.460 2.302 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000448354521 560185173 /nfs/dbraw/zinc/18/51/73/560185173.db2.gz KMNHQJUERAZQMU-HIFRSBDPSA-N 1 1 366.414 2.272 20 5 FEBDMO C[N@@H+](CCNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1CCCC1 ZINC000448917951 560206468 /nfs/dbraw/zinc/20/64/68/560206468.db2.gz OBFNSCKPIGKAQN-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO CN(C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000448959269 560208953 /nfs/dbraw/zinc/20/89/53/560208953.db2.gz DTTZHYQRJDINIZ-OAHLLOKOSA-N 1 1 355.398 2.089 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449685679 560236913 /nfs/dbraw/zinc/23/69/13/560236913.db2.gz VEFULWRENCUMMB-GOSISDBHSA-N 1 1 364.398 2.149 20 5 FEBDMO NC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449772435 560239766 /nfs/dbraw/zinc/23/97/66/560239766.db2.gz KZKGPPQGDUAWIY-GFCCVEGCSA-N 1 1 361.423 2.400 20 5 FEBDMO NC(=O)C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449772435 560239767 /nfs/dbraw/zinc/23/97/67/560239767.db2.gz KZKGPPQGDUAWIY-GFCCVEGCSA-N 1 1 361.423 2.400 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449903689 560244918 /nfs/dbraw/zinc/24/49/18/560244918.db2.gz OHVWEPIEGCMPRQ-ZDUSSCGKSA-N 1 1 357.414 2.399 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449903689 560244920 /nfs/dbraw/zinc/24/49/20/560244920.db2.gz OHVWEPIEGCMPRQ-ZDUSSCGKSA-N 1 1 357.414 2.399 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[N@H+]1C1CC1 ZINC000450137429 560251807 /nfs/dbraw/zinc/25/18/07/560251807.db2.gz RYHQRFBMQIURQV-WCQYABFASA-N 1 1 355.398 2.340 20 5 FEBDMO C[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[NH+]1CCN(C)CC1 ZINC000450306733 560257768 /nfs/dbraw/zinc/25/77/68/560257768.db2.gz UPBNYFZPLLWCGQ-ZDUSSCGKSA-N 1 1 361.471 2.766 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@H](C)C1 ZINC000450336805 560259065 /nfs/dbraw/zinc/25/90/65/560259065.db2.gz BKZVCABAGJLTBO-UKRRQHHQSA-N 1 1 361.446 2.442 20 5 FEBDMO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450811619 560274238 /nfs/dbraw/zinc/27/42/38/560274238.db2.gz ODVUICZYUHSKAF-AWEZNQCLSA-N 1 1 369.425 2.047 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000451033430 560283767 /nfs/dbraw/zinc/28/37/67/560283767.db2.gz UDAGLRMUGZINTB-GOSISDBHSA-N 1 1 359.382 2.045 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451335597 560300951 /nfs/dbraw/zinc/30/09/51/560300951.db2.gz DEHZQZPQZRHRSJ-BHIYHBOVSA-N 1 1 373.453 2.499 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000451648916 560319378 /nfs/dbraw/zinc/31/93/78/560319378.db2.gz AGUQULHDDQYNIC-GASCZTMLSA-N 1 1 351.447 2.269 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451759847 560326921 /nfs/dbraw/zinc/32/69/21/560326921.db2.gz SICMNOPIODADBX-RUZDIDTESA-N 1 1 367.471 2.465 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451759847 560326922 /nfs/dbraw/zinc/32/69/22/560326922.db2.gz SICMNOPIODADBX-RUZDIDTESA-N 1 1 367.471 2.465 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000451779912 560328175 /nfs/dbraw/zinc/32/81/75/560328175.db2.gz FYFFYQZPAUNXSI-KGLIPLIRSA-N 1 1 360.370 2.466 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451890520 560335044 /nfs/dbraw/zinc/33/50/44/560335044.db2.gz NIYZVFBKHMZVGZ-QMTHXVAHSA-N 1 1 361.320 2.169 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000452102252 560351444 /nfs/dbraw/zinc/35/14/44/560351444.db2.gz HRMBOTXXFMZISV-AWEZNQCLSA-N 1 1 355.460 2.315 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452376528 560361614 /nfs/dbraw/zinc/36/16/14/560361614.db2.gz LDYIHBTXCLKUAQ-AWEZNQCLSA-N 1 1 367.471 2.283 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452389492 560362957 /nfs/dbraw/zinc/36/29/57/560362957.db2.gz MAOLWHJVCIQDEX-HIFRSBDPSA-N 1 1 367.471 2.038 20 5 FEBDMO CCN1CC[NH+](CCC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000452845816 560376046 /nfs/dbraw/zinc/37/60/46/560376046.db2.gz JTCCJOKDNNJNAH-GOSISDBHSA-N 1 1 374.485 2.328 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454197749 560434145 /nfs/dbraw/zinc/43/41/45/560434145.db2.gz KWRKUIKWWFAKNN-LBPRGKRZSA-N 1 1 356.810 2.217 20 5 FEBDMO CNc1nc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454287329 560438101 /nfs/dbraw/zinc/43/81/01/560438101.db2.gz MZWAZIUCLJUKDE-OAHLLOKOSA-N 1 1 373.413 2.073 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000458182371 560607373 /nfs/dbraw/zinc/60/73/73/560607373.db2.gz DVXNAWSLYSEHDC-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000458182383 560607401 /nfs/dbraw/zinc/60/74/01/560607401.db2.gz DVXNAWSLYSEHDC-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C1 ZINC000458219057 560609683 /nfs/dbraw/zinc/60/96/83/560609683.db2.gz XYCYVAGFKWCNPL-CYBMUJFWSA-N 1 1 357.414 2.447 20 5 FEBDMO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517299 560629272 /nfs/dbraw/zinc/62/92/72/560629272.db2.gz SHKGYZUZNUCLIV-SJORKVTESA-N 1 1 364.446 2.192 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000459516490 560691360 /nfs/dbraw/zinc/69/13/60/560691360.db2.gz VKWVJYHZPZJHBG-UHFFFAOYSA-N 1 1 354.410 2.289 20 5 FEBDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000459571267 560695042 /nfs/dbraw/zinc/69/50/42/560695042.db2.gz CELVKOGWBBMZFO-SFHVURJKSA-N 1 1 363.414 2.247 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464850810 560853359 /nfs/dbraw/zinc/85/33/59/560853359.db2.gz LCBDPYXQNPUGNS-HIFRSBDPSA-N 1 1 361.398 2.394 20 5 FEBDMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000470128909 560974974 /nfs/dbraw/zinc/97/49/74/560974974.db2.gz QSGOUOHNUQQDLK-LBPRGKRZSA-N 1 1 354.382 2.308 20 5 FEBDMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000470128909 560974975 /nfs/dbraw/zinc/97/49/75/560974975.db2.gz QSGOUOHNUQQDLK-LBPRGKRZSA-N 1 1 354.382 2.308 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000470147567 560975430 /nfs/dbraw/zinc/97/54/30/560975430.db2.gz PVJDFYWCTTWWHP-TXEJJXNPSA-N 1 1 354.382 2.355 20 5 FEBDMO CCNS(=O)(=O)[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470217522 560976774 /nfs/dbraw/zinc/97/67/74/560976774.db2.gz GVXIXFHOXURGBW-OVHOFWQVSA-N 1 1 353.444 2.012 20 5 FEBDMO CCNS(=O)(=O)[C@H]1CC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470217522 560976775 /nfs/dbraw/zinc/97/67/75/560976775.db2.gz GVXIXFHOXURGBW-OVHOFWQVSA-N 1 1 353.444 2.012 20 5 FEBDMO C[N@@H+](CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000472600159 561030671 /nfs/dbraw/zinc/03/06/71/561030671.db2.gz PCGMOAWWPSLGQJ-UHFFFAOYSA-N 1 1 366.393 2.053 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475693078 561102340 /nfs/dbraw/zinc/10/23/40/561102340.db2.gz HZOIYPDYHKPREI-RYUDHWBXSA-N 1 1 354.428 2.472 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475693078 561102341 /nfs/dbraw/zinc/10/23/41/561102341.db2.gz HZOIYPDYHKPREI-RYUDHWBXSA-N 1 1 354.428 2.472 20 5 FEBDMO COC(=O)COc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000475713746 561102952 /nfs/dbraw/zinc/10/29/52/561102952.db2.gz KEPXMCPNHMCSHP-HIFRSBDPSA-N 1 1 365.430 2.061 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(CCO)CC1 ZINC000532958790 562493901 /nfs/dbraw/zinc/49/39/01/562493901.db2.gz UCNHUBPLINMCMC-GFCCVEGCSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000532987637 562494884 /nfs/dbraw/zinc/49/48/84/562494884.db2.gz IQDFJGJBLPFGDW-CQSZACIVSA-N 1 1 357.414 2.140 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000532987637 562494885 /nfs/dbraw/zinc/49/48/85/562494885.db2.gz IQDFJGJBLPFGDW-CQSZACIVSA-N 1 1 357.414 2.140 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000533469332 562510015 /nfs/dbraw/zinc/51/00/15/562510015.db2.gz UOPYCOFWARGUPN-RHSMWYFYSA-N 1 1 364.446 2.345 20 5 FEBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000533866402 562520239 /nfs/dbraw/zinc/52/02/39/562520239.db2.gz DMVBHWIZNYIMKD-ZDUSSCGKSA-N 1 1 354.370 2.368 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000535292785 562555299 /nfs/dbraw/zinc/55/52/99/562555299.db2.gz HSWNWNPGXYGJFD-GOSISDBHSA-N 1 1 369.425 2.493 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000535292785 562555300 /nfs/dbraw/zinc/55/53/00/562555300.db2.gz HSWNWNPGXYGJFD-GOSISDBHSA-N 1 1 369.425 2.493 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1OC ZINC000536600048 562580017 /nfs/dbraw/zinc/58/00/17/562580017.db2.gz RVNWTFMTPGSLMH-NEPJUHHUSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1OC ZINC000536600048 562580018 /nfs/dbraw/zinc/58/00/18/562580018.db2.gz RVNWTFMTPGSLMH-NEPJUHHUSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000541908371 562622946 /nfs/dbraw/zinc/62/29/46/562622946.db2.gz KXWWCQZXWRPBBX-DZGCQCFKSA-N 1 1 355.398 2.369 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000541975387 562624907 /nfs/dbraw/zinc/62/49/07/562624907.db2.gz NKPPOKOVOAIIPB-GOSISDBHSA-N 1 1 373.384 2.231 20 5 FEBDMO Cn1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c([N+](=O)[O-])n1 ZINC000602470704 567980521 /nfs/dbraw/zinc/98/05/21/567980521.db2.gz CWGYGLZYMIWRHE-UHFFFAOYSA-N 1 1 369.223 2.124 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@@H]1C ZINC000569000837 568266094 /nfs/dbraw/zinc/26/60/94/568266094.db2.gz NUQSXOBCDODRLM-KBPBESRZSA-N 1 1 366.437 2.489 20 5 FEBDMO COC(=O)c1cnc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000569860744 568431128 /nfs/dbraw/zinc/43/11/28/568431128.db2.gz CGZRCEGBTIVDGI-OAHLLOKOSA-N 1 1 356.382 2.463 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000810118294 674533256 /nfs/dbraw/zinc/53/32/56/674533256.db2.gz QOYRDLQPZSSVAF-GFCCVEGCSA-N 1 1 361.439 2.441 20 5 FEBDMO CC[N@@H+]1C[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000821240099 606730894 /nfs/dbraw/zinc/73/08/94/606730894.db2.gz DXRVEBSVUJVGMY-BONVTDFDSA-N 1 1 368.401 2.075 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820703859 607168437 /nfs/dbraw/zinc/16/84/37/607168437.db2.gz KHRJDGANSLLAES-GFCCVEGCSA-N 1 1 360.422 2.236 20 5 FEBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOc1ccccc1-c1nn[nH]n1)C2 ZINC000826500451 607943437 /nfs/dbraw/zinc/94/34/37/607943437.db2.gz YTLLOQJPGNZLNY-UHFFFAOYSA-N 1 1 366.381 2.212 20 5 FEBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOc1ccccc1-c1nn[nH]n1)C2 ZINC000826500451 607943438 /nfs/dbraw/zinc/94/34/38/607943438.db2.gz YTLLOQJPGNZLNY-UHFFFAOYSA-N 1 1 366.381 2.212 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@@H]2C1 ZINC000812335257 674668015 /nfs/dbraw/zinc/66/80/15/674668015.db2.gz QDBSIIQVQGWIFA-MNOVXSKESA-N 1 1 355.341 2.220 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750305 675077640 /nfs/dbraw/zinc/07/76/40/675077640.db2.gz LDLOYDINFHOUKB-LSDHHAIUSA-N 1 1 353.806 2.183 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000053690894 670326134 /nfs/dbraw/zinc/32/61/34/670326134.db2.gz RRZXNPOXCRQVQQ-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])Cc1ccccc1 ZINC000053690894 670326139 /nfs/dbraw/zinc/32/61/39/670326139.db2.gz RRZXNPOXCRQVQQ-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000817131583 675100753 /nfs/dbraw/zinc/10/07/53/675100753.db2.gz FXMSAJRKSOMNBS-SNVBAGLBSA-N 1 1 363.386 2.122 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000817131583 675100754 /nfs/dbraw/zinc/10/07/54/675100754.db2.gz FXMSAJRKSOMNBS-SNVBAGLBSA-N 1 1 363.386 2.122 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000110994378 670853355 /nfs/dbraw/zinc/85/33/55/670853355.db2.gz RBMFIKWCDQWIPO-GFCCVEGCSA-N 1 1 350.375 2.416 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000576819518 671397100 /nfs/dbraw/zinc/39/71/00/671397100.db2.gz JTASHCMNLBZIDB-TZMCWYRMSA-N 1 1 355.460 2.260 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000609352699 675919996 /nfs/dbraw/zinc/91/99/96/675919996.db2.gz DLOVXZQYPDSIBX-OKILXGFUSA-N 1 1 355.460 2.444 20 5 FEBDMO CS(=O)(=O)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000577575278 671605452 /nfs/dbraw/zinc/60/54/52/671605452.db2.gz OEMIYFANGYOVQT-UHFFFAOYSA-N 1 1 360.395 2.164 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000577806226 671620770 /nfs/dbraw/zinc/62/07/70/671620770.db2.gz AHURJHXFSDKZME-GFCCVEGCSA-N 1 1 358.464 2.035 20 5 FEBDMO CCC[N@@H+](C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)c1ccc(Cl)cc1 ZINC000578348960 671658796 /nfs/dbraw/zinc/65/87/96/671658796.db2.gz ZFLOALZOKPYGMR-CYBMUJFWSA-N 1 1 364.837 2.537 20 5 FEBDMO CC(C)(CO)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609677722 675932145 /nfs/dbraw/zinc/93/21/45/675932145.db2.gz HVNHQZDQNQQDDM-UHFFFAOYSA-N 1 1 356.810 2.169 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CCO)C1 ZINC000609848948 675939069 /nfs/dbraw/zinc/93/90/69/675939069.db2.gz RBZVZOKKORPHJS-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213845 675959724 /nfs/dbraw/zinc/95/97/24/675959724.db2.gz WJYGSDVOTBPONN-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213845 675959727 /nfs/dbraw/zinc/95/97/27/675959727.db2.gz WJYGSDVOTBPONN-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000610135419 675956185 /nfs/dbraw/zinc/95/61/85/675956185.db2.gz RPNIGPWYNYLVOO-UONOGXRCSA-N 1 1 355.460 2.397 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000610135307 675956234 /nfs/dbraw/zinc/95/62/34/675956234.db2.gz PLMNXMXWPUCKQE-NWDGAFQWSA-N 1 1 359.423 2.227 20 5 FEBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123003952 671973944 /nfs/dbraw/zinc/97/39/44/671973944.db2.gz SPVYPSFDWBJSNV-MWLCHTKSSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123003952 671973948 /nfs/dbraw/zinc/97/39/48/671973948.db2.gz SPVYPSFDWBJSNV-MWLCHTKSSA-N 1 1 356.220 2.443 20 5 FEBDMO Cn1c[nH+]cc1CCCSc1nc2cc([N+](=O)[O-])ccc2c(=O)n1C ZINC000582312287 671988553 /nfs/dbraw/zinc/98/85/53/671988553.db2.gz RSHPVDAJPSWHPJ-UHFFFAOYSA-N 1 1 359.411 2.300 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000124579633 671999684 /nfs/dbraw/zinc/99/96/84/671999684.db2.gz KPGSCBRVLNQXLU-MNOVXSKESA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000124579633 671999686 /nfs/dbraw/zinc/99/96/86/671999686.db2.gz KPGSCBRVLNQXLU-MNOVXSKESA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000125459820 672011914 /nfs/dbraw/zinc/01/19/14/672011914.db2.gz NPNGCVLYGWCUEV-NSHDSACASA-N 1 1 373.862 2.319 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000134653433 672125516 /nfs/dbraw/zinc/12/55/16/672125516.db2.gz LIXZVSXMCVDYTL-OLZOCXBDSA-N 1 1 353.423 2.169 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000610769506 675995558 /nfs/dbraw/zinc/99/55/58/675995558.db2.gz CYNMUYGYPQOMON-GFCCVEGCSA-N 1 1 371.235 2.053 20 5 FEBDMO COc1cc(CN2CC[C@@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590012808 672554433 /nfs/dbraw/zinc/55/44/33/672554433.db2.gz YURUNEINACZSCT-MFKMUULPSA-N 1 1 357.357 2.341 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000590047168 672556517 /nfs/dbraw/zinc/55/65/17/672556517.db2.gz WMXXTIWTSWJSFI-SWLSCSKDSA-N 1 1 358.423 2.494 20 5 FEBDMO CCCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000591925682 672722386 /nfs/dbraw/zinc/72/23/86/672722386.db2.gz WPVPPWNIXFMDEX-CQSZACIVSA-N 1 1 350.419 2.229 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000194333741 672756681 /nfs/dbraw/zinc/75/66/81/672756681.db2.gz XVHUSPIRVOLKIL-LLVKDONJSA-N 1 1 373.431 2.377 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C(C)(C)C1 ZINC000593338496 672910460 /nfs/dbraw/zinc/91/04/60/672910460.db2.gz JYNXWMBWSWONLV-UHFFFAOYSA-N 1 1 369.849 2.360 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594474530 673081198 /nfs/dbraw/zinc/08/11/98/673081198.db2.gz JXCFXGVQMSDVBU-UHFFFAOYSA-N 1 1 369.487 2.273 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594485068 673089255 /nfs/dbraw/zinc/08/92/55/673089255.db2.gz VQNQBPULZLHRPK-DOTOQJQBSA-N 1 1 367.471 2.074 20 5 FEBDMO CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@H]1C ZINC000594568622 673098378 /nfs/dbraw/zinc/09/83/78/673098378.db2.gz ZDQJOVZBQHDKFT-CYBMUJFWSA-N 1 1 352.410 2.101 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594789759 673142823 /nfs/dbraw/zinc/14/28/23/673142823.db2.gz KNEWJIDLULUXPW-CYBMUJFWSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000594789270 673143033 /nfs/dbraw/zinc/14/30/33/673143033.db2.gz KHWSSFDZFLBOAP-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000594789270 673143039 /nfs/dbraw/zinc/14/30/39/673143039.db2.gz KHWSSFDZFLBOAP-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594793103 673145006 /nfs/dbraw/zinc/14/50/06/673145006.db2.gz UYNBYWHFDYYPQE-AWEZNQCLSA-N 1 1 355.460 2.135 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594794235 673145736 /nfs/dbraw/zinc/14/57/36/673145736.db2.gz ZPNRLOLWSJJBRJ-LBPRGKRZSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695926 673283209 /nfs/dbraw/zinc/28/32/09/673283209.db2.gz JGGQKRFLLPEWOI-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695926 673283213 /nfs/dbraw/zinc/28/32/13/673283213.db2.gz JGGQKRFLLPEWOI-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO CC(C)Oc1nc(N2CCC[C@@H]([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000596247171 673371502 /nfs/dbraw/zinc/37/15/02/673371502.db2.gz LUYGQEOZGWIWHD-CQSZACIVSA-N 1 1 350.419 2.078 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000597100207 673447760 /nfs/dbraw/zinc/44/77/60/673447760.db2.gz GPMFHBSUUZPTJV-RNCFNFMXSA-N 1 1 353.810 2.388 20 5 FEBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])OCCC[NH+]1CCOCC1 ZINC000735894924 673506702 /nfs/dbraw/zinc/50/67/02/673506702.db2.gz XLKPULCVIZCKAE-UHFFFAOYSA-N 1 1 372.805 2.283 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000597859620 673513862 /nfs/dbraw/zinc/51/38/62/673513862.db2.gz WJULZPRWLFDKDF-LLVKDONJSA-N 1 1 351.403 2.215 20 5 FEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])C1 ZINC000598343058 673561291 /nfs/dbraw/zinc/56/12/91/673561291.db2.gz PZWZYDQDKCWVPM-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598600038 673587775 /nfs/dbraw/zinc/58/77/75/673587775.db2.gz BVFHENNJFAOAON-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598600038 673587777 /nfs/dbraw/zinc/58/77/77/673587777.db2.gz BVFHENNJFAOAON-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598622189 673591703 /nfs/dbraw/zinc/59/17/03/673591703.db2.gz YPUCSJWLOYKIIW-CQSZACIVSA-N 1 1 355.460 2.315 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855286 673610567 /nfs/dbraw/zinc/61/05/67/673610567.db2.gz COWWBDOGJUDUAM-CABZTGNLSA-N 1 1 355.341 2.409 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000543172889 673629811 /nfs/dbraw/zinc/62/98/11/673629811.db2.gz VDQHDHUHIYJLQH-GOMXZESMSA-N 1 1 353.806 2.278 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000543172889 673629813 /nfs/dbraw/zinc/62/98/13/673629813.db2.gz VDQHDHUHIYJLQH-GOMXZESMSA-N 1 1 353.806 2.278 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000543621048 673656846 /nfs/dbraw/zinc/65/68/46/673656846.db2.gz COORTAIQBRFBGA-UHFFFAOYSA-N 1 1 356.350 2.437 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464178 673678754 /nfs/dbraw/zinc/67/87/54/673678754.db2.gz JTMFQIUNJMUFHN-GFCCVEGCSA-N 1 1 359.473 2.260 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464178 673678757 /nfs/dbraw/zinc/67/87/57/673678757.db2.gz JTMFQIUNJMUFHN-GFCCVEGCSA-N 1 1 359.473 2.260 20 5 FEBDMO CCC(O)(CC)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599672270 673704630 /nfs/dbraw/zinc/70/46/30/673704630.db2.gz CFRMZWMKSUDXAT-UHFFFAOYSA-N 1 1 353.419 2.415 20 5 FEBDMO C[N@@H+]1CC=C(CNC(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000599736034 673711819 /nfs/dbraw/zinc/71/18/19/673711819.db2.gz AUVDLYNDMXIJIG-UHFFFAOYSA-N 1 1 354.204 2.349 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000544655271 673723566 /nfs/dbraw/zinc/72/35/66/673723566.db2.gz ANNXDSRJQPIPLY-UHFFFAOYSA-N 1 1 366.443 2.427 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000742412343 673727041 /nfs/dbraw/zinc/72/70/41/673727041.db2.gz PMJRZEPIBNCJAH-VHSXEESVSA-N 1 1 352.347 2.184 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000600311020 673757446 /nfs/dbraw/zinc/75/74/46/673757446.db2.gz NPUAXYVDEZKXPI-GFCCVEGCSA-N 1 1 351.403 2.074 20 5 FEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1(O)CCC1 ZINC000545393247 673765566 /nfs/dbraw/zinc/76/55/66/673765566.db2.gz LTHSKDBABIXFLY-UHFFFAOYSA-N 1 1 372.219 2.143 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1(O)CCC1 ZINC000545393247 673765568 /nfs/dbraw/zinc/76/55/68/673765568.db2.gz LTHSKDBABIXFLY-UHFFFAOYSA-N 1 1 372.219 2.143 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000745374913 673834590 /nfs/dbraw/zinc/83/45/90/673834590.db2.gz FPZOHUQBPVOQOQ-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000745374913 673834593 /nfs/dbraw/zinc/83/45/93/673834593.db2.gz FPZOHUQBPVOQOQ-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000601357002 673847467 /nfs/dbraw/zinc/84/74/67/673847467.db2.gz YDGBTXWOPKGLJI-GXTWGEPZSA-N 1 1 373.450 2.393 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000745867663 673854550 /nfs/dbraw/zinc/85/45/50/673854550.db2.gz CMNKGUIPATYHQM-STQMWFEESA-N 1 1 353.394 2.349 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000746380589 673874978 /nfs/dbraw/zinc/87/49/78/673874978.db2.gz BMDIWNXKIULMON-GFCCVEGCSA-N 1 1 372.267 2.175 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000601976941 673901009 /nfs/dbraw/zinc/90/10/09/673901009.db2.gz RARVOHBGMIXGRI-TXEJJXNPSA-N 1 1 358.341 2.326 20 5 FEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602890370 673913124 /nfs/dbraw/zinc/91/31/24/673913124.db2.gz HZBUTKUWEPCZOQ-MRXNPFEDSA-N 1 1 369.462 2.374 20 5 FEBDMO O=[N+]([O-])c1cc(F)ccc1C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602890370 673913125 /nfs/dbraw/zinc/91/31/25/673913125.db2.gz HZBUTKUWEPCZOQ-MRXNPFEDSA-N 1 1 369.462 2.374 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000567020474 675260665 /nfs/dbraw/zinc/26/06/65/675260665.db2.gz WAGUDTWHIAWLOS-LBPRGKRZSA-N 1 1 359.448 2.002 20 5 FEBDMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819383011 675286970 /nfs/dbraw/zinc/28/69/70/675286970.db2.gz HKDWIBQHEMUTDS-CABZTGNLSA-N 1 1 351.384 2.222 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)SC[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000567849391 675329046 /nfs/dbraw/zinc/32/90/46/675329046.db2.gz XBOYHHSBVZRKFZ-OLZOCXBDSA-N 1 1 353.444 2.294 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)SC[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000567849391 675329049 /nfs/dbraw/zinc/32/90/49/675329049.db2.gz XBOYHHSBVZRKFZ-OLZOCXBDSA-N 1 1 353.444 2.294 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000822768648 675505434 /nfs/dbraw/zinc/50/54/34/675505434.db2.gz XGTMUSFFDFPPOM-SNVBAGLBSA-N 1 1 366.805 2.173 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000822931080 675517214 /nfs/dbraw/zinc/51/72/14/675517214.db2.gz KAHDUAYQDCABBR-CHWSQXEVSA-N 1 1 369.849 2.094 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000828512535 675826555 /nfs/dbraw/zinc/82/65/55/675826555.db2.gz WBOBMOGXXPENEV-KWQFWETISA-N 1 1 356.785 2.136 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619251979 676369030 /nfs/dbraw/zinc/36/90/30/676369030.db2.gz DBLDETYJRMFCOW-HUUCEWRRSA-N 1 1 355.797 2.435 20 5 FEBDMO CS(=O)(=O)[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000619723445 676392439 /nfs/dbraw/zinc/39/24/39/676392439.db2.gz XTRPICPHHFESGO-MRXNPFEDSA-N 1 1 356.444 2.263 20 5 FEBDMO CS(=O)(=O)[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000619723445 676392441 /nfs/dbraw/zinc/39/24/41/676392441.db2.gz XTRPICPHHFESGO-MRXNPFEDSA-N 1 1 356.444 2.263 20 5 FEBDMO CON1CCC([N@@H+](C)CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000839131963 680740321 /nfs/dbraw/zinc/74/03/21/680740321.db2.gz SBBJTFULNIUNDQ-UHFFFAOYSA-N 1 1 356.810 2.144 20 5 FEBDMO COCC(COC)[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000839623041 680767588 /nfs/dbraw/zinc/76/75/88/680767588.db2.gz WQYBNTQDRQMCOJ-UHFFFAOYSA-N 1 1 357.838 2.027 20 5 FEBDMO C[N@@H+](C[C@@H](O)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F)C1CC1 ZINC000839653683 680769307 /nfs/dbraw/zinc/76/93/07/680769307.db2.gz BZKKIOBWAWVGFN-IINYFYTJSA-N 1 1 365.327 2.382 20 5 FEBDMO CSC[C@@H]1CCC[N@@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840028906 680793847 /nfs/dbraw/zinc/79/38/47/680793847.db2.gz UONDWAMZGMOGMZ-XJKSGUPXSA-N 1 1 351.428 2.317 20 5 FEBDMO CSC[C@@H]1CCC[N@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840028906 680793848 /nfs/dbraw/zinc/79/38/48/680793848.db2.gz UONDWAMZGMOGMZ-XJKSGUPXSA-N 1 1 351.428 2.317 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000748844300 679999960 /nfs/dbraw/zinc/99/99/60/679999960.db2.gz QJQJEDCDEGTSAL-GFCCVEGCSA-N 1 1 350.375 2.272 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC[N@@H+]1CC=CCC1 ZINC000831551167 680002226 /nfs/dbraw/zinc/00/22/26/680002226.db2.gz YSMDZNSZCUGQFX-UHFFFAOYSA-N 1 1 366.805 2.198 20 5 FEBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000831724339 680032844 /nfs/dbraw/zinc/03/28/44/680032844.db2.gz VDDCZGYEEXOFJP-ZIBATOQPSA-N 1 1 352.822 2.211 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000752255553 680232394 /nfs/dbraw/zinc/23/23/94/680232394.db2.gz RJAAJVHLIFFLJF-QWRGUYRKSA-N 1 1 361.851 2.318 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000836641156 680493787 /nfs/dbraw/zinc/49/37/87/680493787.db2.gz KQUMWWKEOIYLMU-ZBFHGGJFSA-N 1 1 367.833 2.228 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000759774232 680666808 /nfs/dbraw/zinc/66/68/08/680666808.db2.gz KTJNMWUPQMFYKF-AAEUAGOBSA-N 1 1 373.450 2.441 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000838150782 680676046 /nfs/dbraw/zinc/67/60/46/680676046.db2.gz YGXPIUAIMJBGPC-GFCCVEGCSA-N 1 1 352.410 2.262 20 5 FEBDMO COc1cc(COC(=O)C[N@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000766218099 680870831 /nfs/dbraw/zinc/87/08/31/680870831.db2.gz LPQVRWKYHROZFO-NSHDSACASA-N 1 1 358.391 2.223 20 5 FEBDMO COc1cc(COC(=O)C[N@@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])cc1F ZINC000766218099 680870833 /nfs/dbraw/zinc/87/08/33/680870833.db2.gz LPQVRWKYHROZFO-NSHDSACASA-N 1 1 358.391 2.223 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]Cc3ccccc32)cc([N+](=O)[O-])c1F ZINC000842705573 680960802 /nfs/dbraw/zinc/96/08/02/680960802.db2.gz PYNKDQBWJZRWGL-UHFFFAOYSA-N 1 1 365.386 2.341 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000844950320 681094728 /nfs/dbraw/zinc/09/47/28/681094728.db2.gz HUNQYOSKRCMZBI-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000844950320 681094729 /nfs/dbraw/zinc/09/47/29/681094729.db2.gz HUNQYOSKRCMZBI-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933466081 681417220 /nfs/dbraw/zinc/41/72/20/681417220.db2.gz YDZOURGBNZZTGN-ZDUSSCGKSA-N 1 1 353.423 2.041 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848591087 681585629 /nfs/dbraw/zinc/58/56/29/681585629.db2.gz JSLLZEUPJVYXEF-GFCCVEGCSA-N 1 1 357.357 2.415 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000780868639 681880101 /nfs/dbraw/zinc/88/01/01/681880101.db2.gz XXEVBCUQXNFUIT-NSHDSACASA-N 1 1 361.851 2.319 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850519280 681911965 /nfs/dbraw/zinc/91/19/65/681911965.db2.gz ZNSDZLJTSPPWBO-SECBINFHSA-N 1 1 370.349 2.231 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000781651822 681957954 /nfs/dbraw/zinc/95/79/54/681957954.db2.gz YJQLQMVFHWMBGX-DGCLKSJQSA-N 1 1 350.375 2.035 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC[C@@H]2N1 ZINC000853557426 682433670 /nfs/dbraw/zinc/43/36/70/682433670.db2.gz KXBBMFHQLCVOAC-YGRLFVJLSA-N 1 1 363.805 2.156 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cn3ncc4cc([N+](=O)[O-])cc(Cl)c43)CC[C@@H]2N1 ZINC000853557426 682433673 /nfs/dbraw/zinc/43/36/73/682433673.db2.gz KXBBMFHQLCVOAC-YGRLFVJLSA-N 1 1 363.805 2.156 20 5 FEBDMO CN(CCC[NH+]1CCN(C)CC1)c1cccc(Br)c1[N+](=O)[O-] ZINC000856729629 682799846 /nfs/dbraw/zinc/79/98/46/682799846.db2.gz ODPIAVCZIFAZTC-UHFFFAOYSA-N 1 1 371.279 2.431 20 5 FEBDMO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000792878212 682847046 /nfs/dbraw/zinc/84/70/46/682847046.db2.gz ZIHQYYMQPUNNRD-HNNXBMFYSA-N 1 1 350.375 2.240 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000793930432 682918686 /nfs/dbraw/zinc/91/86/86/682918686.db2.gz XRAAZKPVCSNIGB-OLZOCXBDSA-N 1 1 367.833 2.427 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@@H](C)c2ccns2)cc1[N+](=O)[O-] ZINC000858317331 682956465 /nfs/dbraw/zinc/95/64/65/682956465.db2.gz WQLMSPMXIPESOL-JTQLQIEISA-N 1 1 351.384 2.454 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc([N+](=O)[O-])c1F ZINC000859348168 683090012 /nfs/dbraw/zinc/09/00/12/683090012.db2.gz YATSVUFGDGRUDR-ZDUSSCGKSA-N 1 1 371.434 2.338 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795827865 683095663 /nfs/dbraw/zinc/09/56/63/683095663.db2.gz DGVOZWYLOMSBGK-VIFPVBQESA-N 1 1 365.814 2.007 20 5 FEBDMO CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796553016 683170613 /nfs/dbraw/zinc/17/06/13/683170613.db2.gz NOCXTSOKOXWBKH-HOTGVXAUSA-N 1 1 351.403 2.181 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000919847885 683303284 /nfs/dbraw/zinc/30/32/84/683303284.db2.gz OHGCZRULLCGTPY-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000919847885 683303288 /nfs/dbraw/zinc/30/32/88/683303288.db2.gz OHGCZRULLCGTPY-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000861546697 683433412 /nfs/dbraw/zinc/43/34/12/683433412.db2.gz HYRCMRNAVKIGFV-ZDUSSCGKSA-N 1 1 367.833 2.433 20 5 FEBDMO C[C@@H]1[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@H+]1C ZINC000928438446 683451506 /nfs/dbraw/zinc/45/15/06/683451506.db2.gz JXLISZQOJFBOOE-GMSGAONNSA-N 1 1 360.183 2.319 20 5 FEBDMO CNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929195822 683560373 /nfs/dbraw/zinc/56/03/73/683560373.db2.gz SCYYWHXUAGVGPM-UHFFFAOYSA-N 1 1 356.220 2.315 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865619520 684005825 /nfs/dbraw/zinc/00/58/25/684005825.db2.gz IWAWMABUZIRKQW-UHFFFAOYSA-N 1 1 370.247 2.454 20 5 FEBDMO CC(C)(O)C[N@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000865655945 684010835 /nfs/dbraw/zinc/01/08/35/684010835.db2.gz PLAMBBLUCGADLU-LBPRGKRZSA-N 1 1 359.373 2.131 20 5 FEBDMO CC(C)(O)CN1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000865655945 684010838 /nfs/dbraw/zinc/01/08/38/684010838.db2.gz PLAMBBLUCGADLU-LBPRGKRZSA-N 1 1 359.373 2.131 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000866073316 684068700 /nfs/dbraw/zinc/06/87/00/684068700.db2.gz OJVHSVQZXVUEDA-JQWIXIFHSA-N 1 1 370.247 2.499 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000866073317 684068708 /nfs/dbraw/zinc/06/87/08/684068708.db2.gz OJVHSVQZXVUEDA-PWSUYJOCSA-N 1 1 370.247 2.499 20 5 FEBDMO CONC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000931608197 684312295 /nfs/dbraw/zinc/31/22/95/684312295.db2.gz RDVMTFLOXARCQH-UHFFFAOYSA-N 1 1 372.219 2.247 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872661845 684999179 /nfs/dbraw/zinc/99/91/79/684999179.db2.gz DEKDQFXSGYSFBU-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000872666117 685001525 /nfs/dbraw/zinc/00/15/25/685001525.db2.gz WSBKDGGHWILUND-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000877740128 686447920 /nfs/dbraw/zinc/44/79/20/686447920.db2.gz VBNKRGVPXDOVQF-ZIAGYGMSSA-N 1 1 366.439 2.332 20 5 FEBDMO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877798650 686465892 /nfs/dbraw/zinc/46/58/92/686465892.db2.gz APDIMEVWMXRLKA-RBSFLKMASA-N 1 1 367.471 2.288 20 5 FEBDMO O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877798650 686465895 /nfs/dbraw/zinc/46/58/95/686465895.db2.gz APDIMEVWMXRLKA-RBSFLKMASA-N 1 1 367.471 2.288 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)o1 ZINC000878200663 686539883 /nfs/dbraw/zinc/53/98/83/686539883.db2.gz NUJGGOHXZOGORJ-KBPBESRZSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)o1 ZINC000878200663 686539886 /nfs/dbraw/zinc/53/98/86/686539886.db2.gz NUJGGOHXZOGORJ-KBPBESRZSA-N 1 1 362.411 2.351 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879322722 686795662 /nfs/dbraw/zinc/79/56/62/686795662.db2.gz VJRJKDTXQULJGS-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879575508 686860419 /nfs/dbraw/zinc/86/04/19/686860419.db2.gz LCHOTKKFNVWXCM-RISCZKNCSA-N 1 1 352.822 2.213 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000879575506 686860565 /nfs/dbraw/zinc/86/05/65/686860565.db2.gz LCHOTKKFNVWXCM-BXUZGUMPSA-N 1 1 352.822 2.213 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000880495452 687054179 /nfs/dbraw/zinc/05/41/79/687054179.db2.gz HMZFOQKCYHJJLR-KGLIPLIRSA-N 1 1 367.833 2.477 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884951091 687971912 /nfs/dbraw/zinc/97/19/12/687971912.db2.gz XLWPVQBSUWOEJI-VXGBXAGGSA-N 1 1 359.835 2.153 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884951472 687972408 /nfs/dbraw/zinc/97/24/08/687972408.db2.gz DZAJHFXVPBFUKW-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246674 689684134 /nfs/dbraw/zinc/68/41/34/689684134.db2.gz OZZMNIMGCSWMQH-YGRLFVJLSA-N 1 1 370.837 2.081 20 5 FEBDMO C[C@@H]1[C@H](Nc2nc(N[C@H]3CCN(C)[C@@H]3C)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000895741017 689764037 /nfs/dbraw/zinc/76/40/37/689764037.db2.gz WQAQXOJQHRRWFT-WISYIIOYSA-N 1 1 354.480 2.060 20 5 FEBDMO C[C@@H]1[C@H](Nc2nc(N[C@H]3CCN(C)[C@@H]3C)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000895741017 689764038 /nfs/dbraw/zinc/76/40/38/689764038.db2.gz WQAQXOJQHRRWFT-WISYIIOYSA-N 1 1 354.480 2.060 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)o1 ZINC000897619574 690050782 /nfs/dbraw/zinc/05/07/82/690050782.db2.gz ZPRKPPKEJVDIPU-BETUJISGSA-N 1 1 362.407 2.331 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)o1 ZINC000897619574 690050785 /nfs/dbraw/zinc/05/07/85/690050785.db2.gz ZPRKPPKEJVDIPU-BETUJISGSA-N 1 1 362.407 2.331 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000906572605 691285531 /nfs/dbraw/zinc/28/55/31/691285531.db2.gz JYBFTPNQKSIYGB-HNNXBMFYSA-N 1 1 369.849 2.408 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000907519627 691508255 /nfs/dbraw/zinc/50/82/55/691508255.db2.gz QRTWBIGFMCIOSB-QWHCGFSZSA-N 1 1 369.849 2.094 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907764520 691555699 /nfs/dbraw/zinc/55/56/99/691555699.db2.gz YLHTYTGVZZGJMJ-UHFFFAOYSA-N 1 1 363.805 2.253 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1CCCC[N@@H+]1CCO ZINC000908539718 691695607 /nfs/dbraw/zinc/69/56/07/691695607.db2.gz BGXKPQDCVWIOOY-OAHLLOKOSA-N 1 1 369.849 2.144 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)[C@@H](C)C1 ZINC000910280329 691910677 /nfs/dbraw/zinc/91/06/77/691910677.db2.gz QLLXRFKCEOJDBY-LBPRGKRZSA-N 1 1 352.410 2.356 20 5 FEBDMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000485411765 719481778 /nfs/dbraw/zinc/48/17/78/719481778.db2.gz LOSGJIKHLAIZER-HOTGVXAUSA-N 1 1 358.373 2.315 20 5 FEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC001164813101 720072823 /nfs/dbraw/zinc/07/28/23/720072823.db2.gz SMSVRQULBPSWCP-APWZRJJASA-N 1 1 360.458 2.483 20 5 FEBDMO O=[N+]([O-])c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901678 721511878 /nfs/dbraw/zinc/51/18/78/721511878.db2.gz XYBFFZRJSFCJBX-RDJZCZTQSA-N 1 1 358.373 2.471 20 5 FEBDMO Nc1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164906330 721540107 /nfs/dbraw/zinc/54/01/07/721540107.db2.gz JVLKKUYLCDOHHS-HIFRSBDPSA-N 1 1 373.388 2.053 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926051 721875854 /nfs/dbraw/zinc/87/58/54/721875854.db2.gz QOUADRJXVAWUQK-MSOLQXFVSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926051 721875857 /nfs/dbraw/zinc/87/58/57/721875857.db2.gz QOUADRJXVAWUQK-MSOLQXFVSA-N 1 1 355.442 2.358 20 5 FEBDMO COCC[N@@H+](C)CC[C@H](Nc1ncc([N+](=O)[O-])c(N)n1)c1ccccc1 ZINC000505564712 815835571 /nfs/dbraw/zinc/83/55/71/815835571.db2.gz PKWMDCUVIAFWIA-AWEZNQCLSA-N 1 1 360.418 2.089 20 5 FEBDMO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007995884 539473899 /nfs/dbraw/zinc/47/38/99/539473899.db2.gz NONUOHAMRRFXBK-ZDUSSCGKSA-N 1 1 370.409 2.413 20 5 FEBDMO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000007995884 539473903 /nfs/dbraw/zinc/47/39/03/539473903.db2.gz NONUOHAMRRFXBK-ZDUSSCGKSA-N 1 1 370.409 2.413 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000010505900 539517659 /nfs/dbraw/zinc/51/76/59/539517659.db2.gz KOGHEQOFWPNINB-MRXNPFEDSA-N 1 1 367.402 2.315 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(=O)NC(C)(C)C ZINC000026262655 539782198 /nfs/dbraw/zinc/78/21/98/539782198.db2.gz BQBBRNJOCDPWHA-UHFFFAOYSA-N 1 1 350.419 2.078 20 5 FEBDMO CCC(CC)[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000029147541 539844096 /nfs/dbraw/zinc/84/40/96/539844096.db2.gz ZHTVDGXEENQCFG-QGZVFWFLSA-N 1 1 364.446 2.243 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000032440944 539939389 /nfs/dbraw/zinc/93/93/89/539939389.db2.gz YFXKMVVJWSVZLN-KGLIPLIRSA-N 1 1 355.460 2.444 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000041423012 540020187 /nfs/dbraw/zinc/02/01/87/540020187.db2.gz ISOJARDZAOEGAZ-CYBMUJFWSA-N 1 1 355.460 2.160 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000045713462 540223335 /nfs/dbraw/zinc/22/33/35/540223335.db2.gz VVLFFJXLZPSSFW-UHFFFAOYSA-N 1 1 353.444 2.152 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929969 540500191 /nfs/dbraw/zinc/50/01/91/540500191.db2.gz YVHXCJMKKXFJTK-HIFRSBDPSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929969 540500193 /nfs/dbraw/zinc/50/01/93/540500193.db2.gz YVHXCJMKKXFJTK-HIFRSBDPSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000055467586 540654968 /nfs/dbraw/zinc/65/49/68/540654968.db2.gz BOLZCEPWQSPCNJ-AWEZNQCLSA-N 1 1 371.441 2.418 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[NH+]1CCOCC1 ZINC000056333381 540719232 /nfs/dbraw/zinc/71/92/32/540719232.db2.gz BIQBWTPYPLWRPX-INIZCTEOSA-N 1 1 360.414 2.163 20 5 FEBDMO COc1cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000057713888 540811080 /nfs/dbraw/zinc/81/10/80/540811080.db2.gz GZKNPMOORPRTFD-VIFPVBQESA-N 1 1 373.356 2.417 20 5 FEBDMO COc1ccc(CSCC(=O)NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000058858457 540857379 /nfs/dbraw/zinc/85/73/79/540857379.db2.gz IYTSAMONEQRRCA-UHFFFAOYSA-N 1 1 353.444 2.047 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1 ZINC000062270196 541146654 /nfs/dbraw/zinc/14/66/54/541146654.db2.gz AQNLRAUNNHCJMJ-UHFFFAOYSA-N 1 1 367.365 2.423 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000064113442 541194302 /nfs/dbraw/zinc/19/43/02/541194302.db2.gz FHUKLZMZGLBGOH-UHFFFAOYSA-N 1 1 369.425 2.091 20 5 FEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC000063724819 541181860 /nfs/dbraw/zinc/18/18/60/541181860.db2.gz UHSGRZLLWMTFFQ-UHFFFAOYSA-N 1 1 372.429 2.122 20 5 FEBDMO CC[C@H](CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000064336344 541201254 /nfs/dbraw/zinc/20/12/54/541201254.db2.gz VETVPSIXMUFRPM-OAHLLOKOSA-N 1 1 357.414 2.193 20 5 FEBDMO CNC(=O)c1ccc(N2CC[N@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000064905080 541220931 /nfs/dbraw/zinc/22/09/31/541220931.db2.gz OSRUZVHDKYPJDN-SFHVURJKSA-N 1 1 354.410 2.448 20 5 FEBDMO CNC(=O)c1ccc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000064905080 541220933 /nfs/dbraw/zinc/22/09/33/541220933.db2.gz OSRUZVHDKYPJDN-SFHVURJKSA-N 1 1 354.410 2.448 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000247389134 549327641 /nfs/dbraw/zinc/32/76/41/549327641.db2.gz LYIQJZLGPAWCBA-DZGCQCFKSA-N 1 1 365.430 2.171 20 5 FEBDMO CCOc1ccc(NC(=O)CN2CCC[N@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000069083226 541654938 /nfs/dbraw/zinc/65/49/38/541654938.db2.gz JOCYIZDETYBUQE-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000072810513 541870571 /nfs/dbraw/zinc/87/05/71/541870571.db2.gz QFVROIGVUOQNTJ-HOTGVXAUSA-N 1 1 363.462 2.294 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051003160 205180018 /nfs/dbraw/zinc/18/00/18/205180018.db2.gz NTNZHTAUAAOKED-UONOGXRCSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051003160 205180021 /nfs/dbraw/zinc/18/00/21/205180021.db2.gz NTNZHTAUAAOKED-UONOGXRCSA-N 1 1 362.430 2.160 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC2(C1)CCOCC2 ZINC000072898628 541891056 /nfs/dbraw/zinc/89/10/56/541891056.db2.gz DSVAJUXHPYZNFT-UHFFFAOYSA-N 1 1 361.398 2.395 20 5 FEBDMO CCOC(=O)c1ccnc(N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074772708 542120130 /nfs/dbraw/zinc/12/01/30/542120130.db2.gz WNKZGHAFEFCLTR-CQSZACIVSA-N 1 1 362.430 2.335 20 5 FEBDMO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@H+]1CCC[C@@H](C)C1 ZINC000076367858 542267741 /nfs/dbraw/zinc/26/77/41/542267741.db2.gz WUQPLTCCWYUYSF-OLZOCXBDSA-N 1 1 363.414 2.216 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076481592 542284199 /nfs/dbraw/zinc/28/41/99/542284199.db2.gz JCDVZTMNAMLABX-IAQYHMDHSA-N 1 1 350.375 2.305 20 5 FEBDMO CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1 ZINC000079197895 542506427 /nfs/dbraw/zinc/50/64/27/542506427.db2.gz UTQMDNJISSWONE-HNNXBMFYSA-N 1 1 356.444 2.263 20 5 FEBDMO CN(CC(=O)Nc1c[nH+]ccc1-n1cccn1)c1ccccc1[N+](=O)[O-] ZINC000080084818 542563189 /nfs/dbraw/zinc/56/31/89/542563189.db2.gz GRDQABSOIMHLFA-UHFFFAOYSA-N 1 1 352.354 2.250 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000083444045 542697854 /nfs/dbraw/zinc/69/78/54/542697854.db2.gz SGRVMWKVNMHBAT-GFCCVEGCSA-N 1 1 358.402 2.228 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000087493814 542746433 /nfs/dbraw/zinc/74/64/33/542746433.db2.gz AYSQDZIXHNQRNU-AWEZNQCLSA-N 1 1 369.874 2.440 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089961939 542778254 /nfs/dbraw/zinc/77/82/54/542778254.db2.gz WPNLFAFDOPXAGE-ZWKOTPCHSA-N 1 1 369.421 2.268 20 5 FEBDMO Cc1c(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000089962531 542779872 /nfs/dbraw/zinc/77/98/72/542779872.db2.gz ZECJZEZROZWMNX-SJORKVTESA-N 1 1 369.421 2.268 20 5 FEBDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000093311103 542925146 /nfs/dbraw/zinc/92/51/46/542925146.db2.gz WSEDZILTYGJMES-AWEZNQCLSA-N 1 1 357.410 2.467 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113305952 543483820 /nfs/dbraw/zinc/48/38/20/543483820.db2.gz KVCFPHXOYOYIDN-SWLSCSKDSA-N 1 1 353.444 2.014 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000115436532 543566821 /nfs/dbraw/zinc/56/68/21/543566821.db2.gz JSBUWHLBLBERML-CYBMUJFWSA-N 1 1 363.414 2.185 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000125575966 543889967 /nfs/dbraw/zinc/88/99/67/543889967.db2.gz PCVDOYUCAHBFPL-NSHDSACASA-N 1 1 350.394 2.405 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[N@H+]1C1CC1 ZINC000127614894 544003596 /nfs/dbraw/zinc/00/35/96/544003596.db2.gz LWTVYKQKGABEPT-LSDHHAIUSA-N 1 1 373.457 2.052 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000131678927 544201316 /nfs/dbraw/zinc/20/13/16/544201316.db2.gz HTIDBMSTEUPPFU-CYBMUJFWSA-N 1 1 355.822 2.215 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000132984413 544251205 /nfs/dbraw/zinc/25/12/05/544251205.db2.gz DCGLGYAXKIAQSN-LRDDRELGSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000132984413 544251208 /nfs/dbraw/zinc/25/12/08/544251208.db2.gz DCGLGYAXKIAQSN-LRDDRELGSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1CN(C[C@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000135223238 544338594 /nfs/dbraw/zinc/33/85/94/544338594.db2.gz BTEWFKHAJXYQHO-DAYGRLMNSA-N 1 1 363.458 2.029 20 5 FEBDMO C[C@@H]1CN(C[C@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000135223238 544338596 /nfs/dbraw/zinc/33/85/96/544338596.db2.gz BTEWFKHAJXYQHO-DAYGRLMNSA-N 1 1 363.458 2.029 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H](O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000135223238 544338597 /nfs/dbraw/zinc/33/85/97/544338597.db2.gz BTEWFKHAJXYQHO-DAYGRLMNSA-N 1 1 363.458 2.029 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H](O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000135223238 544338599 /nfs/dbraw/zinc/33/85/99/544338599.db2.gz BTEWFKHAJXYQHO-DAYGRLMNSA-N 1 1 363.458 2.029 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000137055908 544383933 /nfs/dbraw/zinc/38/39/33/544383933.db2.gz FRMUDUOCDKNRQB-GOEBONIOSA-N 1 1 357.414 2.046 20 5 FEBDMO C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247516488 549349114 /nfs/dbraw/zinc/34/91/14/549349114.db2.gz ZMAWSPILFPVGSO-LJISPDSOSA-N 1 1 361.446 2.264 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c([N+](=O)[O-])c1 ZINC000151834821 544586660 /nfs/dbraw/zinc/58/66/60/544586660.db2.gz ZKUIOMFKZSPFNZ-GOEBONIOSA-N 1 1 359.382 2.375 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1(O)CCCC1 ZINC000152458811 544656856 /nfs/dbraw/zinc/65/68/56/544656856.db2.gz DEHXSPOTDSVTHF-UHFFFAOYSA-N 1 1 351.403 2.169 20 5 FEBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000152477496 544658473 /nfs/dbraw/zinc/65/84/73/544658473.db2.gz WVVFGPBTSMKMKC-JSGCOSHPSA-N 1 1 365.459 2.181 20 5 FEBDMO CS(=O)(=O)N1CCC[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153265654 544754130 /nfs/dbraw/zinc/75/41/30/544754130.db2.gz UUJMJNBWPIVHSY-OAHLLOKOSA-N 1 1 367.471 2.231 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000154966131 544971468 /nfs/dbraw/zinc/97/14/68/544971468.db2.gz JFENZHMZAPTTKF-AWEZNQCLSA-N 1 1 357.414 2.385 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000553043138 674235254 /nfs/dbraw/zinc/23/52/54/674235254.db2.gz MFPVBMLCEOVUHE-CHWSQXEVSA-N 1 1 351.403 2.211 20 5 FEBDMO Cc1[nH+]ccn1CCCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179597061 327651477 /nfs/dbraw/zinc/65/14/77/327651477.db2.gz KLIOSBNHEYNOEO-UHFFFAOYSA-N 1 1 358.445 2.457 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)c3c(N)cccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000181117367 327716809 /nfs/dbraw/zinc/71/68/09/327716809.db2.gz KGTVVNYIKOTEMS-UHFFFAOYSA-N 1 1 355.398 2.279 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185176374 327904163 /nfs/dbraw/zinc/90/41/63/327904163.db2.gz MGVXEBNWZDRVLJ-UHFFFAOYSA-N 1 1 350.419 2.006 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C1CC1 ZINC000187458004 328026919 /nfs/dbraw/zinc/02/69/19/328026919.db2.gz DOXQEZGBCZZBCN-QGZVFWFLSA-N 1 1 369.425 2.212 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000189023625 328124035 /nfs/dbraw/zinc/12/40/35/328124035.db2.gz SJVVCBUPKKLBBR-UHFFFAOYSA-N 1 1 362.474 2.476 20 5 FEBDMO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189431453 328147928 /nfs/dbraw/zinc/14/79/28/328147928.db2.gz DMWDSLJFPPKFPC-ZDUSSCGKSA-N 1 1 352.309 2.227 20 5 FEBDMO CC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C[C@H](O)C(F)(F)F ZINC000189431453 328147929 /nfs/dbraw/zinc/14/79/29/328147929.db2.gz DMWDSLJFPPKFPC-ZDUSSCGKSA-N 1 1 352.309 2.227 20 5 FEBDMO COc1cc(CN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000189957845 328178807 /nfs/dbraw/zinc/17/88/07/328178807.db2.gz KWWFZDHTBTYJFE-GFCCVEGCSA-N 1 1 355.410 2.020 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000190031800 328183671 /nfs/dbraw/zinc/18/36/71/328183671.db2.gz IGFPTTCVZNUTSG-ZDUSSCGKSA-N 1 1 350.419 2.212 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000190077892 328186211 /nfs/dbraw/zinc/18/62/11/328186211.db2.gz DGXUFSHFSXETKN-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000193794191 328395525 /nfs/dbraw/zinc/39/55/25/328395525.db2.gz OAZGRSUPGNNWND-OAHLLOKOSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000077708022 325006679 /nfs/dbraw/zinc/00/66/79/325006679.db2.gz WVPDIRSDHOHIQJ-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000078350985 325043658 /nfs/dbraw/zinc/04/36/58/325043658.db2.gz IVKPZRNQVAIZQX-KRWDZBQOSA-N 1 1 363.439 2.317 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078623609 325055325 /nfs/dbraw/zinc/05/53/25/325055325.db2.gz PWBDPWGTDKGYPW-UHFFFAOYSA-N 1 1 358.398 2.034 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078623609 325055328 /nfs/dbraw/zinc/05/53/28/325055328.db2.gz PWBDPWGTDKGYPW-UHFFFAOYSA-N 1 1 358.398 2.034 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461267 325091906 /nfs/dbraw/zinc/09/19/06/325091906.db2.gz YNYISEFPSMYXRS-RHSMWYFYSA-N 1 1 360.458 2.146 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091673382 325389467 /nfs/dbraw/zinc/38/94/67/325389467.db2.gz IDGHCBXMQDHTHW-MNOVXSKESA-N 1 1 357.208 2.027 20 5 FEBDMO COc1cc(C[NH+]2CCC(Cn3ccnn3)CC2)c([N+](=O)[O-])cc1OC ZINC000092098334 325402860 /nfs/dbraw/zinc/40/28/60/325402860.db2.gz FXJAKMMWRHDRGE-UHFFFAOYSA-N 1 1 361.402 2.116 20 5 FEBDMO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866003 326109895 /nfs/dbraw/zinc/10/98/95/326109895.db2.gz JUDSEWKKHGPAED-CABCVRRESA-N 1 1 361.446 2.123 20 5 FEBDMO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866003 326109898 /nfs/dbraw/zinc/10/98/98/326109898.db2.gz JUDSEWKKHGPAED-CABCVRRESA-N 1 1 361.446 2.123 20 5 FEBDMO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCCC1=CCCCC1 ZINC000118866541 326109900 /nfs/dbraw/zinc/10/99/00/326109900.db2.gz KTVQADGLRFKKHE-MRXNPFEDSA-N 1 1 373.457 2.483 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCCC1=CCCCC1 ZINC000118866541 326109901 /nfs/dbraw/zinc/10/99/01/326109901.db2.gz KTVQADGLRFKKHE-MRXNPFEDSA-N 1 1 373.457 2.483 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000119075150 326124280 /nfs/dbraw/zinc/12/42/80/326124280.db2.gz RPQZGSCGZDWTNS-UHFFFAOYSA-N 1 1 352.416 2.119 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000120130686 326233185 /nfs/dbraw/zinc/23/31/85/326233185.db2.gz DKOQXCJROKXMRQ-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120202798 326240555 /nfs/dbraw/zinc/24/05/55/326240555.db2.gz YEOVLKKMGHAJIU-SVGFKBNWSA-N 1 1 350.415 2.080 20 5 FEBDMO CCOC(=O)c1cc(NC2CC[NH+](CCN(C)C)CC2)ccc1[N+](=O)[O-] ZINC000121723564 326361605 /nfs/dbraw/zinc/36/16/05/326361605.db2.gz NRDADZJIKBGZIO-UHFFFAOYSA-N 1 1 364.446 2.209 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000124709294 326458807 /nfs/dbraw/zinc/45/88/07/326458807.db2.gz LJXRKQZIEYLSFA-PHIMTYICSA-N 1 1 359.835 2.072 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153580444 326736630 /nfs/dbraw/zinc/73/66/30/326736630.db2.gz GZHNQUBQPZKOHK-UHFFFAOYSA-N 1 1 355.826 2.046 20 5 FEBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1(O)CCOCC1 ZINC000161490636 327001076 /nfs/dbraw/zinc/00/10/76/327001076.db2.gz KASLPNYKFXXVLX-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000162343408 327023454 /nfs/dbraw/zinc/02/34/54/327023454.db2.gz TYLLYYUFZNGKQB-VXGBXAGGSA-N 1 1 359.386 2.179 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163809691 327059311 /nfs/dbraw/zinc/05/93/11/327059311.db2.gz AXXLFYUBXZLUJT-INIZCTEOSA-N 1 1 369.487 2.273 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000172835745 327221719 /nfs/dbraw/zinc/22/17/19/327221719.db2.gz KNRXJWXMOAMBIY-AWEZNQCLSA-N 1 1 372.429 2.122 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173244196 327243609 /nfs/dbraw/zinc/24/36/09/327243609.db2.gz PTMOWNADTUXOSL-GWCFXTLKSA-N 1 1 361.851 2.209 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173308578 327248801 /nfs/dbraw/zinc/24/88/01/327248801.db2.gz DARWEZXJOLFORM-UHFFFAOYSA-N 1 1 352.416 2.167 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000173637143 327272821 /nfs/dbraw/zinc/27/28/21/327272821.db2.gz ZDTFIGYAHBQIMX-UHFFFAOYSA-N 1 1 365.430 2.173 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCCN(C(=O)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000173637143 327272822 /nfs/dbraw/zinc/27/28/22/327272822.db2.gz ZDTFIGYAHBQIMX-UHFFFAOYSA-N 1 1 365.430 2.173 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](N4CCOCC4)C3)o2)c1 ZINC000173996091 327300319 /nfs/dbraw/zinc/30/03/19/327300319.db2.gz OHBFKJXMHWWEAF-KRWDZBQOSA-N 1 1 372.425 2.199 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000265108491 329091835 /nfs/dbraw/zinc/09/18/35/329091835.db2.gz JUAPNIQWTNKATC-UHFFFAOYSA-N 1 1 373.457 2.224 20 5 FEBDMO Cc1nn(C)c(NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000265128913 329094313 /nfs/dbraw/zinc/09/43/13/329094313.db2.gz MHLYELAJZALXFC-ZDUSSCGKSA-N 1 1 359.430 2.470 20 5 FEBDMO Cc1nn(C)c(NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1[N+](=O)[O-] ZINC000265128913 329094315 /nfs/dbraw/zinc/09/43/15/329094315.db2.gz MHLYELAJZALXFC-ZDUSSCGKSA-N 1 1 359.430 2.470 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCC(OC)CC1 ZINC000265204997 329101958 /nfs/dbraw/zinc/10/19/58/329101958.db2.gz KMYLVSPTLGFGIE-UHFFFAOYSA-N 1 1 351.403 2.431 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000265739919 329155303 /nfs/dbraw/zinc/15/53/03/329155303.db2.gz FYKAEXVGDPMRRO-UHFFFAOYSA-N 1 1 361.427 2.013 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265966983 329177583 /nfs/dbraw/zinc/17/75/83/329177583.db2.gz SWXTVXXXEDUJDT-ZDUSSCGKSA-N 1 1 365.430 2.462 20 5 FEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000267465982 329330303 /nfs/dbraw/zinc/33/03/03/329330303.db2.gz LYEJKWYWQVVQPG-NSHDSACASA-N 1 1 354.204 2.278 20 5 FEBDMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267947099 329370710 /nfs/dbraw/zinc/37/07/10/329370710.db2.gz USZOBLLVBCGFEI-VIFPVBQESA-N 1 1 360.183 2.320 20 5 FEBDMO CN(C(=O)C[NH+]1CCC(C2(C)OCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000268439325 329419716 /nfs/dbraw/zinc/41/97/16/329419716.db2.gz FTWDIVBCFBYZLT-UHFFFAOYSA-N 1 1 363.414 2.033 20 5 FEBDMO C[NH+](C)CCOc1ccc(CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000272502409 329786287 /nfs/dbraw/zinc/78/62/87/329786287.db2.gz IREUNZNHMUXWOU-UHFFFAOYSA-N 1 1 373.409 2.213 20 5 FEBDMO Cn1cc(CCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000272568208 329792492 /nfs/dbraw/zinc/79/24/92/329792492.db2.gz VGRKXVGIUJKEDI-KRWDZBQOSA-N 1 1 354.414 2.374 20 5 FEBDMO CC(C)[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000273509188 329870421 /nfs/dbraw/zinc/87/04/21/329870421.db2.gz WLSJIMAFUFOHTR-OAHLLOKOSA-N 1 1 354.382 2.212 20 5 FEBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000273585447 329876767 /nfs/dbraw/zinc/87/67/67/329876767.db2.gz PTCHGJDXYFMCRI-NSHDSACASA-N 1 1 353.375 2.253 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000276553093 330164056 /nfs/dbraw/zinc/16/40/56/330164056.db2.gz HZGILWKYRWRFLC-NSHDSACASA-N 1 1 355.822 2.255 20 5 FEBDMO CC(C)(C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[NH+]1CCCC1 ZINC000805614643 674347684 /nfs/dbraw/zinc/34/76/84/674347684.db2.gz RFKWADIQIXBICB-UHFFFAOYSA-N 1 1 353.350 2.090 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCN1C(=O)c2ccccc2C1=O ZINC000159115302 545922765 /nfs/dbraw/zinc/92/27/65/545922765.db2.gz GKTSCHJFBZFBRH-UHFFFAOYSA-N 1 1 369.377 2.202 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCN1C(=O)c2ccccc2C1=O ZINC000159112330 545923284 /nfs/dbraw/zinc/92/32/84/545923284.db2.gz OMDOQKXYADVFIP-UHFFFAOYSA-N 1 1 369.377 2.202 20 5 FEBDMO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)S(=O)(=O)c1cccs1 ZINC000478324964 561164322 /nfs/dbraw/zinc/16/43/22/561164322.db2.gz RQXURVDWRLXZBR-UHFFFAOYSA-N 1 1 373.431 2.206 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000159804599 545981419 /nfs/dbraw/zinc/98/14/19/545981419.db2.gz OUINXTRDBZEQCV-OAHLLOKOSA-N 1 1 357.366 2.322 20 5 FEBDMO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000478568661 561169754 /nfs/dbraw/zinc/16/97/54/561169754.db2.gz XKOBTQQEWQWGMW-UONOGXRCSA-N 1 1 372.429 2.168 20 5 FEBDMO CCC[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000161217926 546110186 /nfs/dbraw/zinc/11/01/86/546110186.db2.gz UNZJWZBJXUWGRC-QGZVFWFLSA-N 1 1 364.446 2.237 20 5 FEBDMO NC(=O)CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000170737917 546174643 /nfs/dbraw/zinc/17/46/43/546174643.db2.gz PQVIHUWAGYHZRV-GFCCVEGCSA-N 1 1 359.386 2.122 20 5 FEBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000170737917 546174648 /nfs/dbraw/zinc/17/46/48/546174648.db2.gz PQVIHUWAGYHZRV-GFCCVEGCSA-N 1 1 359.386 2.122 20 5 FEBDMO C[C@]1(c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)cc2)NC(=O)NC1=O ZINC000479921158 561199563 /nfs/dbraw/zinc/19/95/63/561199563.db2.gz TYEQTEGLHWQZAD-GOSISDBHSA-N 1 1 372.356 2.078 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)Nc1ccccc1 ZINC000176205633 546419372 /nfs/dbraw/zinc/41/93/72/546419372.db2.gz MGPIEJQHLAOPBM-INIZCTEOSA-N 1 1 372.429 2.468 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COC1CCOCC1 ZINC000176426587 546444646 /nfs/dbraw/zinc/44/46/46/546444646.db2.gz CSECOAAPDOEHPV-KRWDZBQOSA-N 1 1 352.431 2.362 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176816225 546492746 /nfs/dbraw/zinc/49/27/46/546492746.db2.gz DUFCNZMJHLCCBR-JSGCOSHPSA-N 1 1 357.414 2.273 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000176872836 546499115 /nfs/dbraw/zinc/49/91/15/546499115.db2.gz UUDKYDGNMVDGJE-HNNXBMFYSA-N 1 1 363.462 2.284 20 5 FEBDMO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000177410342 546612232 /nfs/dbraw/zinc/61/22/32/546612232.db2.gz LOHJQLUEPSZQGZ-SJCJKPOMSA-N 1 1 371.393 2.334 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000481022037 561223196 /nfs/dbraw/zinc/22/31/96/561223196.db2.gz HDBCHYGEKBWVRK-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000481022037 561223197 /nfs/dbraw/zinc/22/31/97/561223197.db2.gz HDBCHYGEKBWVRK-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1c(CNC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)cccc1[N+](=O)[O-] ZINC000481490143 561233853 /nfs/dbraw/zinc/23/38/53/561233853.db2.gz JBXMLAKCYVKCML-UHFFFAOYSA-N 1 1 368.397 2.181 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178629630 546822921 /nfs/dbraw/zinc/82/29/21/546822921.db2.gz KZERZRSALOWNQK-WCQYABFASA-N 1 1 352.822 2.355 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481617555 561237442 /nfs/dbraw/zinc/23/74/42/561237442.db2.gz UNVUPPQHGUHWOY-STQMWFEESA-N 1 1 362.430 2.158 20 5 FEBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000179951391 547032427 /nfs/dbraw/zinc/03/24/27/547032427.db2.gz VBNWWBXPYTZUAG-AWEZNQCLSA-N 1 1 373.365 2.483 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000180480903 547115991 /nfs/dbraw/zinc/11/59/91/547115991.db2.gz JOAMCCYRVLXVJH-LJQANCHMSA-N 1 1 369.421 2.482 20 5 FEBDMO CNC(=O)C[C@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000483418651 561276817 /nfs/dbraw/zinc/27/68/17/561276817.db2.gz GGFCHBVJUOHALI-HNNXBMFYSA-N 1 1 370.409 2.309 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181919192 547405281 /nfs/dbraw/zinc/40/52/81/547405281.db2.gz KXDUBAKFJJSARM-CVEARBPZSA-N 1 1 351.447 2.141 20 5 FEBDMO CC(C)CCO[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181976401 547416250 /nfs/dbraw/zinc/41/62/50/547416250.db2.gz JXOZPOXZTYBMBG-HOTGVXAUSA-N 1 1 352.431 2.472 20 5 FEBDMO CCC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000182500251 547504309 /nfs/dbraw/zinc/50/43/09/547504309.db2.gz GAEJXGWVYJCBGA-QGZVFWFLSA-N 1 1 371.441 2.304 20 5 FEBDMO CN1CCN([C@@H]2CCCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000182909894 547570424 /nfs/dbraw/zinc/57/04/24/547570424.db2.gz FRFROMJPJXADKD-GOSISDBHSA-N 1 1 362.474 2.076 20 5 FEBDMO CCCCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(N)=O ZINC000183054674 547593525 /nfs/dbraw/zinc/59/35/25/547593525.db2.gz HGCVBAIHHROKIP-UHFFFAOYSA-N 1 1 350.419 2.209 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000184353544 547812506 /nfs/dbraw/zinc/81/25/06/547812506.db2.gz LVMCPFIVXMSDCF-HNNXBMFYSA-N 1 1 362.474 2.276 20 5 FEBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1Cc1ccccc1 ZINC000184387249 547818640 /nfs/dbraw/zinc/81/86/40/547818640.db2.gz WIOIWZATEPWBBP-UHFFFAOYSA-N 1 1 369.425 2.309 20 5 FEBDMO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1Cc1ccccc1 ZINC000184387249 547818644 /nfs/dbraw/zinc/81/86/44/547818644.db2.gz WIOIWZATEPWBBP-UHFFFAOYSA-N 1 1 369.425 2.309 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184484774 547834188 /nfs/dbraw/zinc/83/41/88/547834188.db2.gz WYAVEJWTMOTULR-CQSZACIVSA-N 1 1 363.462 2.359 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184844672 547886452 /nfs/dbraw/zinc/88/64/52/547886452.db2.gz YQLVPYXAYKCITP-QGZVFWFLSA-N 1 1 373.457 2.373 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000185779114 548034999 /nfs/dbraw/zinc/03/49/99/548034999.db2.gz JFTOMLBCHVBBFY-AWEZNQCLSA-N 1 1 363.439 2.394 20 5 FEBDMO COc1ccccc1[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+](C)C ZINC000485619411 561324256 /nfs/dbraw/zinc/32/42/56/561324256.db2.gz IJILEUXVKBSOFG-HNNXBMFYSA-N 1 1 358.398 2.218 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000186166213 548093305 /nfs/dbraw/zinc/09/33/05/548093305.db2.gz GEHSMBUIXDDWEL-IBGZPJMESA-N 1 1 356.426 2.371 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CCO)CC2CCCCC2)c1 ZINC000485883015 561331177 /nfs/dbraw/zinc/33/11/77/561331177.db2.gz LSYHNPBAZHALEU-QGZVFWFLSA-N 1 1 352.431 2.209 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccnc2-n2ccnc2)c([N+](=O)[O-])c1 ZINC000194201676 548448871 /nfs/dbraw/zinc/44/88/71/548448871.db2.gz OMUAPDQHDMXFSM-UHFFFAOYSA-N 1 1 354.326 2.374 20 5 FEBDMO Cc1ccc(-n2cnc3c2CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C3)cc1 ZINC000488023179 561381573 /nfs/dbraw/zinc/38/15/73/561381573.db2.gz HUZZVFPYTRTHMC-UHFFFAOYSA-N 1 1 352.398 2.344 20 5 FEBDMO Cc1ccc(-n2cnc3c2CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C3)cc1 ZINC000488023179 561381574 /nfs/dbraw/zinc/38/15/74/561381574.db2.gz HUZZVFPYTRTHMC-UHFFFAOYSA-N 1 1 352.398 2.344 20 5 FEBDMO C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1n1ccnc1 ZINC000245602201 548955869 /nfs/dbraw/zinc/95/58/69/548955869.db2.gz MOETYOGWRVILBU-ZTFGCOKTSA-N 1 1 369.425 2.480 20 5 FEBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246088928 549048578 /nfs/dbraw/zinc/04/85/78/549048578.db2.gz GNVAMXNLAIZKRO-HZPDHXFCSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246088928 549048582 /nfs/dbraw/zinc/04/85/82/549048582.db2.gz GNVAMXNLAIZKRO-HZPDHXFCSA-N 1 1 356.444 2.261 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000246114261 549055251 /nfs/dbraw/zinc/05/52/51/549055251.db2.gz INVPGAXPUYAYOQ-CABCVRRESA-N 1 1 367.471 2.459 20 5 FEBDMO C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246134857 549060309 /nfs/dbraw/zinc/06/03/09/549060309.db2.gz JUDSEWKKHGPAED-LSDHHAIUSA-N 1 1 361.446 2.123 20 5 FEBDMO C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246134857 549060316 /nfs/dbraw/zinc/06/03/16/549060316.db2.gz JUDSEWKKHGPAED-LSDHHAIUSA-N 1 1 361.446 2.123 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[N@H+]1C[C@H](C)O ZINC000247275253 549309253 /nfs/dbraw/zinc/30/92/53/549309253.db2.gz YGWGDBSBYQSYPS-GOEBONIOSA-N 1 1 363.458 2.437 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247629547 549366980 /nfs/dbraw/zinc/36/69/80/549366980.db2.gz SPIXQLNHFIBVCX-DZGCQCFKSA-N 1 1 353.444 2.008 20 5 FEBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247685069 549371675 /nfs/dbraw/zinc/37/16/75/549371675.db2.gz UWHNJXJAIKOOTA-KNCCTNLNSA-N 1 1 360.414 2.003 20 5 FEBDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247685069 549371678 /nfs/dbraw/zinc/37/16/78/549371678.db2.gz UWHNJXJAIKOOTA-KNCCTNLNSA-N 1 1 360.414 2.003 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000247962846 549395122 /nfs/dbraw/zinc/39/51/22/549395122.db2.gz GKZUJQYCCQKUSZ-HZPDHXFCSA-N 1 1 369.425 2.337 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000248342059 549420688 /nfs/dbraw/zinc/42/06/88/549420688.db2.gz JHLKFLMAMMEMHR-HIFRSBDPSA-N 1 1 355.460 2.172 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000249073776 549547228 /nfs/dbraw/zinc/54/72/28/549547228.db2.gz LICBLHHVKYNEGQ-SWLSCSKDSA-N 1 1 366.368 2.310 20 5 FEBDMO COc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000249166206 549564267 /nfs/dbraw/zinc/56/42/67/549564267.db2.gz KDGZULDMNVQOPX-OLZOCXBDSA-N 1 1 371.459 2.002 20 5 FEBDMO Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000489831114 561420097 /nfs/dbraw/zinc/42/00/97/561420097.db2.gz AOVWGCCVNWJDPM-LLVKDONJSA-N 1 1 372.351 2.423 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COC[C@H]1CCCO1 ZINC000250670465 549643747 /nfs/dbraw/zinc/64/37/47/549643747.db2.gz WWFABPZQJZYPJZ-ZWKOTPCHSA-N 1 1 352.431 2.362 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000490043137 561425010 /nfs/dbraw/zinc/42/50/10/561425010.db2.gz YKDBPMXJJLFHOU-CABCVRRESA-N 1 1 369.377 2.151 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000490452171 561433380 /nfs/dbraw/zinc/43/33/80/561433380.db2.gz GZRABLMOTUENKI-LLVKDONJSA-N 1 1 373.500 2.460 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000490452171 561433381 /nfs/dbraw/zinc/43/33/81/561433381.db2.gz GZRABLMOTUENKI-LLVKDONJSA-N 1 1 373.500 2.460 20 5 FEBDMO CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000490675610 561437147 /nfs/dbraw/zinc/43/71/47/561437147.db2.gz UYKIENAYSZGNQE-UHFFFAOYSA-N 1 1 351.403 2.221 20 5 FEBDMO Cc1[nH]nc(C(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000264121368 549981074 /nfs/dbraw/zinc/98/10/74/549981074.db2.gz CRVJJOLLMYFJCS-UHFFFAOYSA-N 1 1 359.430 2.263 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000269519263 550203626 /nfs/dbraw/zinc/20/36/26/550203626.db2.gz XCLBERKYIMRHBS-GFCCVEGCSA-N 1 1 361.320 2.064 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000269557494 550205956 /nfs/dbraw/zinc/20/59/56/550205956.db2.gz BPRSKRATHFYDEB-UHFFFAOYSA-N 1 1 368.397 2.448 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@H]2C1 ZINC000493537550 561456616 /nfs/dbraw/zinc/45/66/16/561456616.db2.gz WDELKDZAYUQQNC-BBRMVZONSA-N 1 1 370.409 2.074 20 5 FEBDMO COc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271077593 550338035 /nfs/dbraw/zinc/33/80/35/550338035.db2.gz HOKXSOUJPLLCQH-INIZCTEOSA-N 1 1 354.426 2.426 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000272311903 550436615 /nfs/dbraw/zinc/43/66/15/550436615.db2.gz IJFFGKOLARZCCV-MFKMUULPSA-N 1 1 363.443 2.402 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272409727 550445257 /nfs/dbraw/zinc/44/52/57/550445257.db2.gz KZDCMXJIMZJQKY-XHDPSFHLSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272409727 550445258 /nfs/dbraw/zinc/44/52/58/550445258.db2.gz KZDCMXJIMZJQKY-XHDPSFHLSA-N 1 1 373.862 2.271 20 5 FEBDMO COc1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000272452594 550449485 /nfs/dbraw/zinc/44/94/85/550449485.db2.gz MVWFHBZIGSFDNB-HUUCEWRRSA-N 1 1 362.430 2.229 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](CCO)c1ccccc1 ZINC000273362420 550495457 /nfs/dbraw/zinc/49/54/57/550495457.db2.gz QTGZKXZEPQOZMG-DLBZAZTESA-N 1 1 360.410 2.390 20 5 FEBDMO CC(C)[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000273509185 550501057 /nfs/dbraw/zinc/50/10/57/550501057.db2.gz WLSJIMAFUFOHTR-HNNXBMFYSA-N 1 1 354.382 2.212 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000277017563 550622280 /nfs/dbraw/zinc/62/22/80/550622280.db2.gz ZGATYTGEQFVRBN-UHFFFAOYSA-N 1 1 372.381 2.091 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[S@@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277184699 550640954 /nfs/dbraw/zinc/64/09/54/550640954.db2.gz LMTQBQBHIQABBT-YYUOZPCZSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)[S@@](=O)CC2)cccc1[N+](=O)[O-] ZINC000277184699 550640956 /nfs/dbraw/zinc/64/09/56/550640956.db2.gz LMTQBQBHIQABBT-YYUOZPCZSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277480299 550675937 /nfs/dbraw/zinc/67/59/37/550675937.db2.gz KOHZJTLYEPDWFG-HNNXBMFYSA-N 1 1 374.441 2.283 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000278931942 550837129 /nfs/dbraw/zinc/83/71/29/550837129.db2.gz VDYNFMXQJPXRSE-TXEJJXNPSA-N 1 1 354.382 2.307 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000278931942 550837130 /nfs/dbraw/zinc/83/71/30/550837130.db2.gz VDYNFMXQJPXRSE-TXEJJXNPSA-N 1 1 354.382 2.307 20 5 FEBDMO COc1cc(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000279276652 550872780 /nfs/dbraw/zinc/87/27/80/550872780.db2.gz XCHVJPAVZLFOCQ-JSGCOSHPSA-N 1 1 365.430 2.001 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CC=CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000279779373 550928295 /nfs/dbraw/zinc/92/82/95/550928295.db2.gz CHCNDBUCKORPHT-UHFFFAOYSA-N 1 1 371.340 2.197 20 5 FEBDMO COc1cc(C(=O)NCC[N@@H+]2CC=CCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000279779373 550928296 /nfs/dbraw/zinc/92/82/96/550928296.db2.gz CHCNDBUCKORPHT-UHFFFAOYSA-N 1 1 371.340 2.197 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CCC[NH+]1CCCC1 ZINC000281192976 551072389 /nfs/dbraw/zinc/07/23/89/551072389.db2.gz BVDLIPWMAIHSRP-UHFFFAOYSA-N 1 1 364.446 2.350 20 5 FEBDMO Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281419596 551095043 /nfs/dbraw/zinc/09/50/43/551095043.db2.gz OQWKEJYXEGVUCF-CRAIPNDOSA-N 1 1 360.414 2.295 20 5 FEBDMO Cn1nccc1[C@H]1CCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281419596 551095044 /nfs/dbraw/zinc/09/50/44/551095044.db2.gz OQWKEJYXEGVUCF-CRAIPNDOSA-N 1 1 360.414 2.295 20 5 FEBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CCCO ZINC000281956415 551162229 /nfs/dbraw/zinc/16/22/29/551162229.db2.gz UVRRXUWEBCWKGU-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO C[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)CCCO ZINC000281956415 551162232 /nfs/dbraw/zinc/16/22/32/551162232.db2.gz UVRRXUWEBCWKGU-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO C[N@H+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000284765348 551627656 /nfs/dbraw/zinc/62/76/56/551627656.db2.gz MOGDCHLMKNSEMO-UXHICEINSA-N 1 1 355.438 2.487 20 5 FEBDMO CN1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000284765348 551627663 /nfs/dbraw/zinc/62/76/63/551627663.db2.gz MOGDCHLMKNSEMO-UXHICEINSA-N 1 1 355.438 2.487 20 5 FEBDMO CN1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000284765348 551627666 /nfs/dbraw/zinc/62/76/66/551627666.db2.gz MOGDCHLMKNSEMO-UXHICEINSA-N 1 1 355.438 2.487 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000498569001 561528902 /nfs/dbraw/zinc/52/89/02/561528902.db2.gz DUERDCSUDLRRDR-KGLIPLIRSA-N 1 1 357.414 2.335 20 5 FEBDMO CCOC1CC2(C1)CC[N@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000285558386 551774495 /nfs/dbraw/zinc/77/44/95/551774495.db2.gz SEWKDVVDDDRBDT-UHFFFAOYSA-N 1 1 359.426 2.375 20 5 FEBDMO CCOC1CC2(C1)CC[N@@H+](CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)C2 ZINC000285558386 551774496 /nfs/dbraw/zinc/77/44/96/551774496.db2.gz SEWKDVVDDDRBDT-UHFFFAOYSA-N 1 1 359.426 2.375 20 5 FEBDMO C[C@H]1CC[N@@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000498918472 561537958 /nfs/dbraw/zinc/53/79/58/561537958.db2.gz QIAOJPQLQDSEMF-ZDUSSCGKSA-N 1 1 357.414 2.090 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000286049703 551843167 /nfs/dbraw/zinc/84/31/67/551843167.db2.gz ATECMBIVTLYUFJ-IUODEOHRSA-N 1 1 360.414 2.230 20 5 FEBDMO CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286252097 551865771 /nfs/dbraw/zinc/86/57/71/551865771.db2.gz PELVJXSPDOUVCD-HQYGPGPXSA-N 1 1 372.425 2.171 20 5 FEBDMO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000286483171 551891284 /nfs/dbraw/zinc/89/12/84/551891284.db2.gz VCVVAKYDLNSVMO-GOOCMWNKSA-N 1 1 362.430 2.099 20 5 FEBDMO CCS(=O)(=O)NC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000289381283 552311497 /nfs/dbraw/zinc/31/14/97/552311497.db2.gz CLDDGSOFUNUTPH-FNORWQNLSA-N 1 1 353.444 2.012 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000500440978 561573054 /nfs/dbraw/zinc/57/30/54/561573054.db2.gz MNOWQEKPIFLBPH-ZIAGYGMSSA-N 1 1 371.441 2.372 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000500440978 561573055 /nfs/dbraw/zinc/57/30/55/561573055.db2.gz MNOWQEKPIFLBPH-ZIAGYGMSSA-N 1 1 371.441 2.372 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000289791738 552379304 /nfs/dbraw/zinc/37/93/04/552379304.db2.gz MRLGUEXEDDQZQZ-AWEZNQCLSA-N 1 1 350.419 2.078 20 5 FEBDMO O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCOc2ccccc21 ZINC000500556557 561576871 /nfs/dbraw/zinc/57/68/71/561576871.db2.gz GPIGFSKNDYASRQ-INIZCTEOSA-N 1 1 359.357 2.464 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290525657 552492791 /nfs/dbraw/zinc/49/27/91/552492791.db2.gz GSNOWMIZXNCYNQ-KGLIPLIRSA-N 1 1 361.446 2.180 20 5 FEBDMO Cc1cc(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc(N2CCCC2)[nH+]1 ZINC000290625765 552508803 /nfs/dbraw/zinc/50/88/03/552508803.db2.gz UOZNCUDZJMHDDD-UHFFFAOYSA-N 1 1 355.398 2.411 20 5 FEBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290872369 552553530 /nfs/dbraw/zinc/55/35/30/552553530.db2.gz ZUVHVDFCUXHCPX-OAHLLOKOSA-N 1 1 369.425 2.047 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000290979916 552571670 /nfs/dbraw/zinc/57/16/70/552571670.db2.gz RJOPFGJATQMBTO-MRXNPFEDSA-N 1 1 369.425 2.411 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292098614 552693647 /nfs/dbraw/zinc/69/36/47/552693647.db2.gz UECRUYGAPOXZLE-ZDUSSCGKSA-N 1 1 353.444 2.090 20 5 FEBDMO C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+](C2CCC2)C1 ZINC000293790573 552856615 /nfs/dbraw/zinc/85/66/15/552856615.db2.gz WTVJZLURTMFPIS-CYBMUJFWSA-N 1 1 365.405 2.446 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)CSc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000293942673 552869904 /nfs/dbraw/zinc/86/99/04/552869904.db2.gz RBUXDJSWYNPOFM-JKSUJKDBSA-N 1 1 365.455 2.009 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294563883 552916089 /nfs/dbraw/zinc/91/60/89/552916089.db2.gz RWFMTUNBTMATKR-UHFFFAOYSA-N 1 1 363.336 2.312 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000295016116 552951380 /nfs/dbraw/zinc/95/13/80/552951380.db2.gz PXCZBJINCKLQCD-ZDUSSCGKSA-N 1 1 368.865 2.312 20 5 FEBDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000295191141 552968049 /nfs/dbraw/zinc/96/80/49/552968049.db2.gz XIQZHRJMGQSQSX-AWEZNQCLSA-N 1 1 353.419 2.221 20 5 FEBDMO Cc1c(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295229243 552972379 /nfs/dbraw/zinc/97/23/79/552972379.db2.gz BLSGGPZSVWOARO-NSHDSACASA-N 1 1 362.386 2.368 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C ZINC000295668062 553041932 /nfs/dbraw/zinc/04/19/32/553041932.db2.gz JMCQACFEQWGFPS-CXAGYDPISA-N 1 1 372.425 2.451 20 5 FEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296692207 553198623 /nfs/dbraw/zinc/19/86/23/553198623.db2.gz LZMASNDSPUKDJD-LBPRGKRZSA-N 1 1 357.382 2.051 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000297442783 553292727 /nfs/dbraw/zinc/29/27/27/553292727.db2.gz RTRAAJHOJWWEKF-GOSISDBHSA-N 1 1 362.430 2.231 20 5 FEBDMO Cc1cc(F)c(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000297561972 553309219 /nfs/dbraw/zinc/30/92/19/553309219.db2.gz BETLBZDWFBCQLM-UHFFFAOYSA-N 1 1 369.441 2.390 20 5 FEBDMO Cc1cc(F)c(NC(=O)N(C)CCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000297561972 553309221 /nfs/dbraw/zinc/30/92/21/553309221.db2.gz BETLBZDWFBCQLM-UHFFFAOYSA-N 1 1 369.441 2.390 20 5 FEBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)N1CCc2ccccc21 ZINC000503211566 561636744 /nfs/dbraw/zinc/63/67/44/561636744.db2.gz JHZFQXVCRZZSFP-UHFFFAOYSA-N 1 1 352.394 2.327 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000299302425 553544988 /nfs/dbraw/zinc/54/49/88/553544988.db2.gz KQSKBZPGDVBHTB-INMHGKMJSA-N 1 1 361.442 2.238 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000299446045 553563974 /nfs/dbraw/zinc/56/39/74/553563974.db2.gz YQRAISKGNCPDOZ-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000299581811 553584334 /nfs/dbraw/zinc/58/43/34/553584334.db2.gz HSFSTMPUJBBBHC-GOEBONIOSA-N 1 1 374.441 2.093 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2cc[nH+]cc2Cl)cc1 ZINC000301551101 553660045 /nfs/dbraw/zinc/66/00/45/553660045.db2.gz YGHVNBKDIVQUOC-UHFFFAOYSA-N 1 1 356.791 2.034 20 5 FEBDMO Cc1nn(C)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302798451 553733821 /nfs/dbraw/zinc/73/38/21/553733821.db2.gz RMCBHYSPWUWCCE-INIZCTEOSA-N 1 1 359.430 2.340 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000505503065 561672372 /nfs/dbraw/zinc/67/23/72/561672372.db2.gz KWAFVQHICDCLMJ-IBGZPJMESA-N 1 1 369.425 2.338 20 5 FEBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@@H]2C1 ZINC000331507975 554276801 /nfs/dbraw/zinc/27/68/01/554276801.db2.gz BCFLTORZSMSAGR-ZACQAIPSSA-N 1 1 363.414 2.192 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253765 554410960 /nfs/dbraw/zinc/41/09/60/554410960.db2.gz YNXTWCCIRPGQOQ-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000332314164 554423355 /nfs/dbraw/zinc/42/33/55/554423355.db2.gz NGTNATIKFBTONF-NVXWUHKLSA-N 1 1 361.442 2.213 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000332314164 554423359 /nfs/dbraw/zinc/42/33/59/554423359.db2.gz NGTNATIKFBTONF-NVXWUHKLSA-N 1 1 361.442 2.213 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000332532727 554465198 /nfs/dbraw/zinc/46/51/98/554465198.db2.gz WHXMTRHBIJEECL-GFCCVEGCSA-N 1 1 366.393 2.451 20 5 FEBDMO C[C@H]1C[C@H](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000510200169 561828086 /nfs/dbraw/zinc/82/80/86/561828086.db2.gz WYBODKOKWRCCCN-RDJZCZTQSA-N 1 1 371.441 2.208 20 5 FEBDMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000510674077 561843121 /nfs/dbraw/zinc/84/31/21/561843121.db2.gz GVCQHNFLJZSCRQ-UHFFFAOYSA-N 1 1 367.427 2.330 20 5 FEBDMO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000360535146 554878726 /nfs/dbraw/zinc/87/87/26/554878726.db2.gz ATDNIPZLYZHKMC-QGZVFWFLSA-N 1 1 361.446 2.227 20 5 FEBDMO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360535146 554878728 /nfs/dbraw/zinc/87/87/28/554878728.db2.gz ATDNIPZLYZHKMC-QGZVFWFLSA-N 1 1 361.446 2.227 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000361016228 554900349 /nfs/dbraw/zinc/90/03/49/554900349.db2.gz AFYUJROKACDGMF-HRCADAONSA-N 1 1 359.426 2.306 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000361026800 554901060 /nfs/dbraw/zinc/90/10/60/554901060.db2.gz CDVULCZZYZFKAG-SOUVJXGZSA-N 1 1 365.455 2.008 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000511491549 561870749 /nfs/dbraw/zinc/87/07/49/561870749.db2.gz GOKFKUQLECLAIK-OZLAXVTRSA-N 1 1 361.442 2.471 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511752639 561879572 /nfs/dbraw/zinc/87/95/72/561879572.db2.gz ACIQPXIPCPXNCO-INIZCTEOSA-N 1 1 371.441 2.359 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363078992 555025632 /nfs/dbraw/zinc/02/56/32/555025632.db2.gz MEHNDJSSESHUEU-HNNXBMFYSA-N 1 1 353.444 2.016 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000511911335 561885238 /nfs/dbraw/zinc/88/52/38/561885238.db2.gz SMCGTEAUWLBDMN-HNNXBMFYSA-N 1 1 364.450 2.012 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873344 555203746 /nfs/dbraw/zinc/20/37/46/555203746.db2.gz CIMISDWFAHGHTE-SUMWQHHRSA-N 1 1 369.425 2.212 20 5 FEBDMO C[C@H]1OCC[C@@]12C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929033 555216079 /nfs/dbraw/zinc/21/60/79/555216079.db2.gz UQUUNPNGGRAEJF-HBUWYVDXSA-N 1 1 363.414 2.192 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000364057361 555241891 /nfs/dbraw/zinc/24/18/91/555241891.db2.gz RNEWEVOXMTWMQT-LBPRGKRZSA-N 1 1 354.370 2.163 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)c1 ZINC000364331418 555292953 /nfs/dbraw/zinc/29/29/53/555292953.db2.gz YXVKWDKOQSMBMX-INIZCTEOSA-N 1 1 353.386 2.209 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364432147 555313079 /nfs/dbraw/zinc/31/30/79/555313079.db2.gz ASMFURAKINJFBR-HZPDHXFCSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556831 555337708 /nfs/dbraw/zinc/33/77/08/555337708.db2.gz KQFYUJUJCZEKQU-XPKDYRNWSA-N 1 1 365.405 2.353 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512831948 561917094 /nfs/dbraw/zinc/91/70/94/561917094.db2.gz GJLWVXCZKMFZMC-LLVKDONJSA-N 1 1 371.340 2.454 20 5 FEBDMO O=C(C[NH+]1CCC(n2cccn2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000365160369 555498679 /nfs/dbraw/zinc/49/86/79/555498679.db2.gz PKIIHDWWBFRNLQ-UHFFFAOYSA-N 1 1 355.398 2.018 20 5 FEBDMO C[NH+](C)[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000365380979 555558557 /nfs/dbraw/zinc/55/85/57/555558557.db2.gz SLUQGEPYGNAYEQ-CYBMUJFWSA-N 1 1 352.410 2.479 20 5 FEBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365540086 555603293 /nfs/dbraw/zinc/60/32/93/555603293.db2.gz QQHGUUIZXSUSGI-OWQGQXMQSA-N 1 1 358.442 2.217 20 5 FEBDMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000365807227 555671312 /nfs/dbraw/zinc/67/13/12/555671312.db2.gz UBGMAWPPYVAFDM-HNNXBMFYSA-N 1 1 360.374 2.376 20 5 FEBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1 ZINC000365807227 555671314 /nfs/dbraw/zinc/67/13/14/555671314.db2.gz UBGMAWPPYVAFDM-HNNXBMFYSA-N 1 1 360.374 2.376 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513678736 561946656 /nfs/dbraw/zinc/94/66/56/561946656.db2.gz RPHXZTLOATWTNR-JEBQAFNWSA-N 1 1 355.442 2.490 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000513696670 561946998 /nfs/dbraw/zinc/94/69/98/561946998.db2.gz BZICIUPEBKCWSP-IRXDYDNUSA-N 1 1 360.414 2.203 20 5 FEBDMO Cc1cc(N[C@H]2CCc3[nH]cnc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366938687 555976512 /nfs/dbraw/zinc/97/65/12/555976512.db2.gz QPSZCFBPVAJXDA-ZDUSSCGKSA-N 1 1 350.382 2.475 20 5 FEBDMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH2+]C[C@H]1C(F)F ZINC000367283128 556007573 /nfs/dbraw/zinc/00/75/73/556007573.db2.gz SBDMDWKXRZYWDR-LBPRGKRZSA-N 1 1 368.365 2.397 20 5 FEBDMO CNc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000514675394 561973536 /nfs/dbraw/zinc/97/35/36/561973536.db2.gz QUZUABFJZPCOHI-UHFFFAOYSA-N 1 1 370.413 2.036 20 5 FEBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000367460842 556056797 /nfs/dbraw/zinc/05/67/97/556056797.db2.gz KMABUHPYFRDGQD-OAHLLOKOSA-N 1 1 362.474 2.346 20 5 FEBDMO COCc1cc([N+](=O)[O-])ccc1N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000367460842 556056798 /nfs/dbraw/zinc/05/67/98/556056798.db2.gz KMABUHPYFRDGQD-OAHLLOKOSA-N 1 1 362.474 2.346 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000367733862 556125811 /nfs/dbraw/zinc/12/58/11/556125811.db2.gz KIHRTQYGVGDBLW-NSHDSACASA-N 1 1 362.459 2.180 20 5 FEBDMO C[NH+]1CCC(N2CC[C@H](Nc3ncnc4sc([N+](=O)[O-])cc43)C2)CC1 ZINC000367733862 556125812 /nfs/dbraw/zinc/12/58/12/556125812.db2.gz KIHRTQYGVGDBLW-NSHDSACASA-N 1 1 362.459 2.180 20 5 FEBDMO O=C1NC[C@@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]12 ZINC000367941634 556178465 /nfs/dbraw/zinc/17/84/65/556178465.db2.gz IYPRLRJRRYHVBL-IUODEOHRSA-N 1 1 358.423 2.286 20 5 FEBDMO O=C1NC[C@@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@@H]12 ZINC000367941634 556178466 /nfs/dbraw/zinc/17/84/66/556178466.db2.gz IYPRLRJRRYHVBL-IUODEOHRSA-N 1 1 358.423 2.286 20 5 FEBDMO CCC[C@]1(CO)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000367983294 556187838 /nfs/dbraw/zinc/18/78/38/556187838.db2.gz OILXOFXEEBNHAY-SFHVURJKSA-N 1 1 365.430 2.417 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368003750 556192479 /nfs/dbraw/zinc/19/24/79/556192479.db2.gz AMFKCENGGLAWLH-SUMDDJOVSA-N 1 1 372.425 2.345 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCOc2ccccc2[N+](=O)[O-])O1 ZINC000368480061 556322322 /nfs/dbraw/zinc/32/23/22/556322322.db2.gz YXPWQFYWQLWURC-WNOSKKOXSA-N 1 1 364.398 2.157 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCOc2ccccc2[N+](=O)[O-])O1 ZINC000368480061 556322324 /nfs/dbraw/zinc/32/23/24/556322324.db2.gz YXPWQFYWQLWURC-WNOSKKOXSA-N 1 1 364.398 2.157 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc(-n4cncn4)c(F)c3)nc2c1 ZINC000515364903 562007410 /nfs/dbraw/zinc/00/74/10/562007410.db2.gz TYHKHHKTMJAWOA-UHFFFAOYSA-N 1 1 367.344 2.481 20 5 FEBDMO Cn1cc([C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000515552347 562014851 /nfs/dbraw/zinc/01/48/51/562014851.db2.gz DUCBJDJLQSRJFT-HZPDHXFCSA-N 1 1 374.441 2.194 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000369359134 556579643 /nfs/dbraw/zinc/57/96/43/556579643.db2.gz PCIAQJWHULKICT-XBFCOCLRSA-N 1 1 353.444 2.276 20 5 FEBDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000369510526 556615474 /nfs/dbraw/zinc/61/54/74/556615474.db2.gz GLYWJNWYCHYYDU-INIZCTEOSA-N 1 1 369.425 2.474 20 5 FEBDMO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000369784826 556694275 /nfs/dbraw/zinc/69/42/75/556694275.db2.gz RMOHCKUXZZQAHN-WMZOPIPTSA-N 1 1 350.415 2.288 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000369784826 556694277 /nfs/dbraw/zinc/69/42/77/556694277.db2.gz RMOHCKUXZZQAHN-WMZOPIPTSA-N 1 1 350.415 2.288 20 5 FEBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000369785369 556694357 /nfs/dbraw/zinc/69/43/57/556694357.db2.gz XGPTUPJYCGOLIT-HNNXBMFYSA-N 1 1 372.429 2.296 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369795611 556697831 /nfs/dbraw/zinc/69/78/31/556697831.db2.gz TVSZFPCLUYRBSU-BQFCYCMXSA-N 1 1 358.442 2.263 20 5 FEBDMO CCCC(=O)N1CCC[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000369825089 556705337 /nfs/dbraw/zinc/70/53/37/556705337.db2.gz ROCXEWAWNQZKMR-UHFFFAOYSA-N 1 1 365.430 2.317 20 5 FEBDMO CCCC(=O)N1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000369825089 556705340 /nfs/dbraw/zinc/70/53/40/556705340.db2.gz ROCXEWAWNQZKMR-UHFFFAOYSA-N 1 1 365.430 2.317 20 5 FEBDMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000516548915 562047307 /nfs/dbraw/zinc/04/73/07/562047307.db2.gz PIXNVXPMOGZZDT-ZSYWTGECSA-N 1 1 373.453 2.458 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000370005491 556755643 /nfs/dbraw/zinc/75/56/43/556755643.db2.gz GBNLJIIZIGUVQC-KBPBESRZSA-N 1 1 357.414 2.220 20 5 FEBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000370024808 556760490 /nfs/dbraw/zinc/76/04/90/556760490.db2.gz AYCRKPJMVWZBAR-KRWDZBQOSA-N 1 1 356.361 2.442 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000370024808 556760493 /nfs/dbraw/zinc/76/04/93/556760493.db2.gz AYCRKPJMVWZBAR-KRWDZBQOSA-N 1 1 356.361 2.442 20 5 FEBDMO CCOC(=O)C1(COC)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000370109932 556783212 /nfs/dbraw/zinc/78/32/12/556783212.db2.gz DDULWFHBXPYIMW-UHFFFAOYSA-N 1 1 366.414 2.395 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)o2)c(Cl)c1 ZINC000370401533 556861066 /nfs/dbraw/zinc/86/10/66/556861066.db2.gz YBXHQMZEXJWPLB-VXGBXAGGSA-N 1 1 352.774 2.436 20 5 FEBDMO COC(=O)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1(C)C ZINC000371149903 557089407 /nfs/dbraw/zinc/08/94/07/557089407.db2.gz XTNRCJYMJHACGF-CQSZACIVSA-N 1 1 350.371 2.092 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1(C)C ZINC000371149903 557089409 /nfs/dbraw/zinc/08/94/09/557089409.db2.gz XTNRCJYMJHACGF-CQSZACIVSA-N 1 1 350.371 2.092 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1(C)C ZINC000371149902 557089503 /nfs/dbraw/zinc/08/95/03/557089503.db2.gz XTNRCJYMJHACGF-AWEZNQCLSA-N 1 1 350.371 2.092 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1(C)C ZINC000371149902 557089506 /nfs/dbraw/zinc/08/95/06/557089506.db2.gz XTNRCJYMJHACGF-AWEZNQCLSA-N 1 1 350.371 2.092 20 5 FEBDMO CNC(=O)CN1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000371378794 557166544 /nfs/dbraw/zinc/16/65/44/557166544.db2.gz KEEVLTKCTGXIPC-UHFFFAOYSA-N 1 1 372.425 2.109 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000371787445 557293988 /nfs/dbraw/zinc/29/39/88/557293988.db2.gz BDGHYYHTRWMVRN-UHFFFAOYSA-N 1 1 365.455 2.491 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000371902588 557325451 /nfs/dbraw/zinc/32/54/51/557325451.db2.gz WWFPXBGQWIQJMR-GFCCVEGCSA-N 1 1 373.862 2.415 20 5 FEBDMO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n([C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000372086335 557376523 /nfs/dbraw/zinc/37/65/23/557376523.db2.gz UPWJXHULZOWTLD-GVDBMIGSSA-N 1 1 369.425 2.242 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000518974184 562122381 /nfs/dbraw/zinc/12/23/81/562122381.db2.gz VSPNSWWUJOXDEM-CQSZACIVSA-N 1 1 355.460 2.364 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000372588046 557513725 /nfs/dbraw/zinc/51/37/25/557513725.db2.gz NKPAPLSLEOFBSY-RUYXUALKSA-N 1 1 351.406 2.384 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000519548920 562134475 /nfs/dbraw/zinc/13/44/75/562134475.db2.gz ZQOHMSVKZQRIGJ-CQSZACIVSA-N 1 1 355.460 2.260 20 5 FEBDMO C[N@@H+](CCNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000372803497 557565368 /nfs/dbraw/zinc/56/53/68/557565368.db2.gz PGFZPQULOOTEJL-HNNXBMFYSA-N 1 1 364.450 2.012 20 5 FEBDMO C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2F)CC1 ZINC000373032355 557613823 /nfs/dbraw/zinc/61/38/23/557613823.db2.gz ZQIPMAIWVCUBIM-UHFFFAOYSA-N 1 1 360.183 2.274 20 5 FEBDMO C[C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)[C@H]1C ZINC000373246266 557657569 /nfs/dbraw/zinc/65/75/69/557657569.db2.gz VSRLXGUEXVNOLZ-IJEWVQPXSA-N 1 1 363.462 2.369 20 5 FEBDMO Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582803 557722812 /nfs/dbraw/zinc/72/28/12/557722812.db2.gz IAILUYXCMQWSKS-DOTOQJQBSA-N 1 1 360.414 2.177 20 5 FEBDMO C[N@H+](C[C@H]1CC12CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000374299586 557861491 /nfs/dbraw/zinc/86/14/91/557861491.db2.gz YKFJVVOTWSTEIV-MRXNPFEDSA-N 1 1 372.469 2.390 20 5 FEBDMO C[N@@H+](C[C@H]1CC12CCN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000374299586 557861493 /nfs/dbraw/zinc/86/14/93/557861493.db2.gz YKFJVVOTWSTEIV-MRXNPFEDSA-N 1 1 372.469 2.390 20 5 FEBDMO CN(C)c1noc([C@@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000374636082 557910226 /nfs/dbraw/zinc/91/02/26/557910226.db2.gz KWHMXGDXBXPRIC-CYBMUJFWSA-N 1 1 361.402 2.302 20 5 FEBDMO Cc1cc(C(=O)NC2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)no1 ZINC000374907346 557949442 /nfs/dbraw/zinc/94/94/42/557949442.db2.gz DIEMTMYRTKKLSA-UHFFFAOYSA-N 1 1 362.361 2.425 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C[C@@H]21 ZINC000375050318 557970147 /nfs/dbraw/zinc/97/01/47/557970147.db2.gz QIGUPNDMKMDDNF-KSSFIOAISA-N 1 1 358.442 2.361 20 5 FEBDMO C[C@@H]1[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC12CCOCC2 ZINC000375245603 557997631 /nfs/dbraw/zinc/99/76/31/557997631.db2.gz NUIGEWPESJCSKR-AWEZNQCLSA-N 1 1 359.426 2.375 20 5 FEBDMO O=C1[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1c1ccccc1F ZINC000376035041 558116782 /nfs/dbraw/zinc/11/67/82/558116782.db2.gz PNICAIOSCCKQBK-MRXNPFEDSA-N 1 1 373.388 2.373 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@]3(CCCCO3)C2)c1 ZINC000376043352 558118367 /nfs/dbraw/zinc/11/83/67/558118367.db2.gz PRTMWJMVXOUSKA-WMZOPIPTSA-N 1 1 350.415 2.370 20 5 FEBDMO COC(=O)c1cc(C)nc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000376216344 558142695 /nfs/dbraw/zinc/14/26/95/558142695.db2.gz ACMPCYRGAFRMCZ-QEJZJMRPSA-N 1 1 360.414 2.005 20 5 FEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000521828491 562184361 /nfs/dbraw/zinc/18/43/61/562184361.db2.gz AYVRPYPWTCKTTD-JTQLQIEISA-N 1 1 373.356 2.371 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000521828491 562184362 /nfs/dbraw/zinc/18/43/62/562184362.db2.gz AYVRPYPWTCKTTD-JTQLQIEISA-N 1 1 373.356 2.371 20 5 FEBDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000377119643 558270096 /nfs/dbraw/zinc/27/00/96/558270096.db2.gz KPNBSEOQPWFNOQ-XYPHTWIQSA-N 1 1 363.414 2.192 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000377221237 558292065 /nfs/dbraw/zinc/29/20/65/558292065.db2.gz CRBZUNGPDLVUBO-MRXNPFEDSA-N 1 1 363.462 2.403 20 5 FEBDMO C[N@@H+](CCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000522598808 562200373 /nfs/dbraw/zinc/20/03/73/562200373.db2.gz ZQZRQBDOXPZCML-UHFFFAOYSA-N 1 1 359.430 2.165 20 5 FEBDMO Cc1cnn([C@@H]2CC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000377764458 558415116 /nfs/dbraw/zinc/41/51/16/558415116.db2.gz ROKPYOBNOYNHCZ-SJORKVTESA-N 1 1 355.398 2.152 20 5 FEBDMO Cc1cnn([C@@H]2CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000377764458 558415118 /nfs/dbraw/zinc/41/51/18/558415118.db2.gz ROKPYOBNOYNHCZ-SJORKVTESA-N 1 1 355.398 2.152 20 5 FEBDMO Cc1nn(CCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000378267823 558515730 /nfs/dbraw/zinc/51/57/30/558515730.db2.gz CDEZGLRGMDXDCQ-MRXNPFEDSA-N 1 1 357.414 2.101 20 5 FEBDMO Cc1nn(CCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000378267823 558515733 /nfs/dbraw/zinc/51/57/33/558515733.db2.gz CDEZGLRGMDXDCQ-MRXNPFEDSA-N 1 1 357.414 2.101 20 5 FEBDMO O=C(C[NH+]1CCC([C@@H]2CCOC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000378652604 558601370 /nfs/dbraw/zinc/60/13/70/558601370.db2.gz VLWODPXLMGKISH-MRXNPFEDSA-N 1 1 359.426 2.232 20 5 FEBDMO CNc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000524775561 562234453 /nfs/dbraw/zinc/23/44/53/562234453.db2.gz JCCNNXPBSCLXFP-UHFFFAOYSA-N 1 1 371.397 2.389 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1OC ZINC000524774934 562234536 /nfs/dbraw/zinc/23/45/36/562234536.db2.gz JSGYHKGFLABZLV-GFCCVEGCSA-N 1 1 351.403 2.074 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000524872545 562236461 /nfs/dbraw/zinc/23/64/61/562236461.db2.gz NOTFPRMCYJNFNF-QWHCGFSZSA-N 1 1 371.459 2.097 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCOC(C)(C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411341517 558880173 /nfs/dbraw/zinc/88/01/73/558880173.db2.gz CPLAPXGMVICGTD-LBPRGKRZSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000525611669 562250815 /nfs/dbraw/zinc/25/08/15/562250815.db2.gz NFNAQPDERDPRJB-UHFFFAOYSA-N 1 1 360.370 2.081 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000411500655 558906365 /nfs/dbraw/zinc/90/63/65/558906365.db2.gz RXUGDLVDXLJZBW-LBPRGKRZSA-N 1 1 361.402 2.359 20 5 FEBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411617226 558930106 /nfs/dbraw/zinc/93/01/06/558930106.db2.gz KOKKIEBKJKQZAW-NUTKFTJISA-N 1 1 361.398 2.197 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000411637391 558933648 /nfs/dbraw/zinc/93/36/48/558933648.db2.gz CULUNNIANNYRLF-KGLIPLIRSA-N 1 1 365.430 2.415 20 5 FEBDMO CCN1C[C@H](C)[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000411721309 558950193 /nfs/dbraw/zinc/95/01/93/558950193.db2.gz OJTOTXIGEOGSDL-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)c1 ZINC000411976341 558998177 /nfs/dbraw/zinc/99/81/77/558998177.db2.gz CZTCKZKPFZIYLA-MSOLQXFVSA-N 1 1 356.426 2.422 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412063090 559008911 /nfs/dbraw/zinc/00/89/11/559008911.db2.gz BAFITDVWJBNKRK-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412063090 559008912 /nfs/dbraw/zinc/00/89/12/559008912.db2.gz BAFITDVWJBNKRK-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1F ZINC000412414066 559034036 /nfs/dbraw/zinc/03/40/36/559034036.db2.gz FZJPLOYXHPIRIM-LBPRGKRZSA-N 1 1 353.394 2.133 20 5 FEBDMO O=[N+]([O-])c1ccc2ccnc(NCC3([NH+]4CCOCC4)CCOCC3)c2c1 ZINC000413416257 559106462 /nfs/dbraw/zinc/10/64/62/559106462.db2.gz VTTUAXGSAUWLAM-UHFFFAOYSA-N 1 1 372.425 2.436 20 5 FEBDMO CC(C)[C@H]1[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199036 559152855 /nfs/dbraw/zinc/15/28/55/559152855.db2.gz YSKAOPJZVPXHPV-FUHWJXTLSA-N 1 1 364.442 2.472 20 5 FEBDMO COC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[N@@H+](C)C1 ZINC000414479922 559167668 /nfs/dbraw/zinc/16/76/68/559167668.db2.gz ADCZFQRUOKFUIG-CQSZACIVSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414479922 559167669 /nfs/dbraw/zinc/16/76/69/559167669.db2.gz ADCZFQRUOKFUIG-CQSZACIVSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414479922 559167670 /nfs/dbraw/zinc/16/76/70/559167670.db2.gz ADCZFQRUOKFUIG-CQSZACIVSA-N 1 1 373.409 2.391 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCCCC[N@H+](C)C1CC1 ZINC000416507900 559318586 /nfs/dbraw/zinc/31/85/86/559318586.db2.gz PKLGZGFXJADFOB-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000416562445 559322107 /nfs/dbraw/zinc/32/21/07/559322107.db2.gz OKHREXQKBBRFFL-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO Cc1c[nH+]ccc1OC1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420620518 559494154 /nfs/dbraw/zinc/49/41/54/559494154.db2.gz DOCKJUXYTHFPCO-UHFFFAOYSA-N 1 1 356.382 2.445 20 5 FEBDMO O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000421833834 559554694 /nfs/dbraw/zinc/55/46/94/559554694.db2.gz JNWDAPPAMTXWEW-UHFFFAOYSA-N 1 1 363.801 2.290 20 5 FEBDMO Cc1ccc([C@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000423376636 559627238 /nfs/dbraw/zinc/62/72/38/559627238.db2.gz DWPILMOEKAKADS-WFASDCNBSA-N 1 1 360.380 2.390 20 5 FEBDMO Cn1ccnc1[C@H](N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000423538031 559631515 /nfs/dbraw/zinc/63/15/15/559631515.db2.gz FBKGYCAQPUILAQ-LISAXSMJSA-N 1 1 355.442 2.395 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504072 559706192 /nfs/dbraw/zinc/70/61/92/559706192.db2.gz UWFKMFYAPUYRNC-ZIAGYGMSSA-N 1 1 358.402 2.159 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504072 559706193 /nfs/dbraw/zinc/70/61/93/559706193.db2.gz UWFKMFYAPUYRNC-ZIAGYGMSSA-N 1 1 358.402 2.159 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000426128133 559730153 /nfs/dbraw/zinc/73/01/53/559730153.db2.gz OULYETJRMNDEBL-NSHDSACASA-N 1 1 361.320 2.104 20 5 FEBDMO O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427806327 559763009 /nfs/dbraw/zinc/76/30/09/559763009.db2.gz HDRRBGZBNGEAEO-QGZVFWFLSA-N 1 1 369.425 2.229 20 5 FEBDMO O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427806327 559763010 /nfs/dbraw/zinc/76/30/10/559763010.db2.gz HDRRBGZBNGEAEO-QGZVFWFLSA-N 1 1 369.425 2.229 20 5 FEBDMO CSC[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000429297194 559795089 /nfs/dbraw/zinc/79/50/89/559795089.db2.gz CTJVDRDDFNIART-LLVKDONJSA-N 1 1 367.427 2.337 20 5 FEBDMO CSC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000429297194 559795090 /nfs/dbraw/zinc/79/50/90/559795090.db2.gz CTJVDRDDFNIART-LLVKDONJSA-N 1 1 367.427 2.337 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429553535 559801221 /nfs/dbraw/zinc/80/12/21/559801221.db2.gz FSBYLZQJGUKXCY-UHFFFAOYSA-N 1 1 362.430 2.080 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429553535 559801222 /nfs/dbraw/zinc/80/12/22/559801222.db2.gz FSBYLZQJGUKXCY-UHFFFAOYSA-N 1 1 362.430 2.080 20 5 FEBDMO CCOC(=O)c1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000432934825 559868213 /nfs/dbraw/zinc/86/82/13/559868213.db2.gz XHCXVKLYOUUVRC-UHFFFAOYSA-N 1 1 365.430 2.319 20 5 FEBDMO CCOC(=O)c1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000432934825 559868214 /nfs/dbraw/zinc/86/82/14/559868214.db2.gz XHCXVKLYOUUVRC-UHFFFAOYSA-N 1 1 365.430 2.319 20 5 FEBDMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000434493777 559901596 /nfs/dbraw/zinc/90/15/96/559901596.db2.gz VSGFUJHBCSPSBS-ZDUSSCGKSA-N 1 1 364.475 2.047 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000435421414 559922494 /nfs/dbraw/zinc/92/24/94/559922494.db2.gz HUZAMMXCCKWOET-AWEZNQCLSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1ccc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000440509749 560013000 /nfs/dbraw/zinc/01/30/00/560013000.db2.gz JJLYNWSNLNPJDR-HXUWFJFHSA-N 1 1 369.421 2.270 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000441318720 560028585 /nfs/dbraw/zinc/02/85/85/560028585.db2.gz QBHUXYNAJYBQAE-FZMZJTMJSA-N 1 1 364.320 2.370 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000441318720 560028586 /nfs/dbraw/zinc/02/85/86/560028586.db2.gz QBHUXYNAJYBQAE-FZMZJTMJSA-N 1 1 364.320 2.370 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000441318721 560028613 /nfs/dbraw/zinc/02/86/13/560028613.db2.gz QBHUXYNAJYBQAE-RISCZKNCSA-N 1 1 364.320 2.370 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000441318721 560028614 /nfs/dbraw/zinc/02/86/14/560028614.db2.gz QBHUXYNAJYBQAE-RISCZKNCSA-N 1 1 364.320 2.370 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443331968 560080713 /nfs/dbraw/zinc/08/07/13/560080713.db2.gz WUXDLOYWSJCSEZ-XEZPLFJOSA-N 1 1 365.430 2.413 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000443361652 560081815 /nfs/dbraw/zinc/08/18/15/560081815.db2.gz YUHABBVLLSQGDF-KBPBESRZSA-N 1 1 362.430 2.173 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCc2ncsc2C1 ZINC000445845286 560135619 /nfs/dbraw/zinc/13/56/19/560135619.db2.gz RDZWQEWYESMQHM-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2ncsc2C1 ZINC000445845286 560135620 /nfs/dbraw/zinc/13/56/20/560135620.db2.gz RDZWQEWYESMQHM-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO COCCCN1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543758 560164185 /nfs/dbraw/zinc/16/41/85/560164185.db2.gz SCGVKJDQYHTJHH-SJORKVTESA-N 1 1 365.478 2.366 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000447656415 560166152 /nfs/dbraw/zinc/16/61/52/560166152.db2.gz LQBLENVTVSBWFR-BETUJISGSA-N 1 1 360.414 2.257 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C[C@H](C)O1 ZINC000447656415 560166153 /nfs/dbraw/zinc/16/61/53/560166153.db2.gz LQBLENVTVSBWFR-BETUJISGSA-N 1 1 360.414 2.257 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@@](O)(C(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449474438 560231399 /nfs/dbraw/zinc/23/13/99/560231399.db2.gz RXTIZDANNVQDQD-INIZCTEOSA-N 1 1 352.341 2.197 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000449576427 560233856 /nfs/dbraw/zinc/23/38/56/560233856.db2.gz SXVOAEUEZJGWTK-BONVTDFDSA-N 1 1 359.785 2.176 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[N@H+]1C1CC1 ZINC000450071310 560249941 /nfs/dbraw/zinc/24/99/41/560249941.db2.gz BBRQMQCOHBILMT-JSGCOSHPSA-N 1 1 355.398 2.136 20 5 FEBDMO Cc1cc(N[C@H]2CCC[N@@H+](CCCO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450612719 560268032 /nfs/dbraw/zinc/26/80/32/560268032.db2.gz KQSGFSILWFRGGC-INIZCTEOSA-N 1 1 371.441 2.041 20 5 FEBDMO C[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC000450806769 560273993 /nfs/dbraw/zinc/27/39/93/560273993.db2.gz FUMBRTDIQXUPRO-CQSZACIVSA-N 1 1 369.425 2.047 20 5 FEBDMO COc1ccc(-c2noc(C[N@H+](C)CCc3ccccc3[N+](=O)[O-])n2)nn1 ZINC000450974615 560280839 /nfs/dbraw/zinc/28/08/39/560280839.db2.gz MRUXWULUJRZRPR-UHFFFAOYSA-N 1 1 370.369 2.118 20 5 FEBDMO COc1ccc(-c2noc(C[N@@H+](C)CCc3ccccc3[N+](=O)[O-])n2)nn1 ZINC000450974615 560280840 /nfs/dbraw/zinc/28/08/40/560280840.db2.gz MRUXWULUJRZRPR-UHFFFAOYSA-N 1 1 370.369 2.118 20 5 FEBDMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546734 560313912 /nfs/dbraw/zinc/31/39/12/560313912.db2.gz JNFNMYFRPWDUER-OAHLLOKOSA-N 1 1 355.460 2.056 20 5 FEBDMO CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453258001 560384830 /nfs/dbraw/zinc/38/48/30/560384830.db2.gz HLAZRFJHONBKCV-HOCLYGCPSA-N 1 1 351.447 2.491 20 5 FEBDMO CCOc1ccc([C@H](C)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453258001 560384831 /nfs/dbraw/zinc/38/48/31/560384831.db2.gz HLAZRFJHONBKCV-HOCLYGCPSA-N 1 1 351.447 2.491 20 5 FEBDMO CNc1nc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454692563 560454575 /nfs/dbraw/zinc/45/45/75/560454575.db2.gz NXQQFYHLGWBXNL-HNNXBMFYSA-N 1 1 369.425 2.426 20 5 FEBDMO CNc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455946464 560501548 /nfs/dbraw/zinc/50/15/48/560501548.db2.gz VQPVKKZUGUOUQJ-OAHLLOKOSA-N 1 1 369.425 2.378 20 5 FEBDMO CC[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514627 560628702 /nfs/dbraw/zinc/62/87/02/560628702.db2.gz RDSLLUHZOHEBQD-SJORKVTESA-N 1 1 364.446 2.192 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000459707802 560703434 /nfs/dbraw/zinc/70/34/34/560703434.db2.gz OGDJZXDTQOWKHF-CXAGYDPISA-N 1 1 362.357 2.311 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)ccc1Oc1ccc(F)cc1 ZINC000459707802 560703435 /nfs/dbraw/zinc/70/34/35/560703435.db2.gz OGDJZXDTQOWKHF-CXAGYDPISA-N 1 1 362.357 2.311 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469057815 560946042 /nfs/dbraw/zinc/94/60/42/560946042.db2.gz UHKUIRSBWROVNH-QWHCGFSZSA-N 1 1 371.459 2.145 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000469163370 560948848 /nfs/dbraw/zinc/94/88/48/560948848.db2.gz IEHCNACNZXFLCH-QWHCGFSZSA-N 1 1 371.459 2.097 20 5 FEBDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000470365918 560979620 /nfs/dbraw/zinc/97/96/20/560979620.db2.gz TXFDREKOMPKHQM-ZDUSSCGKSA-N 1 1 355.398 2.122 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@](C)(OC)C1 ZINC000470912744 560993872 /nfs/dbraw/zinc/99/38/72/560993872.db2.gz IWJPRNDKIJHVQJ-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@](C)(OC)C2)cc1[N+](=O)[O-] ZINC000475293122 561094249 /nfs/dbraw/zinc/09/42/49/561094249.db2.gz WHVMBJFADCYJIZ-QGZVFWFLSA-N 1 1 352.387 2.148 20 5 FEBDMO CC[C@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCS1 ZINC000475692016 561102470 /nfs/dbraw/zinc/10/24/70/561102470.db2.gz FNNIOCNTKZHDDW-ZDUSSCGKSA-N 1 1 354.428 2.474 20 5 FEBDMO CC[C@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCS1 ZINC000475692016 561102471 /nfs/dbraw/zinc/10/24/71/561102471.db2.gz FNNIOCNTKZHDDW-ZDUSSCGKSA-N 1 1 354.428 2.474 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000475698581 561102591 /nfs/dbraw/zinc/10/25/91/561102591.db2.gz JCFYBQWWMNOPAO-UHFFFAOYSA-N 1 1 352.387 2.005 20 5 FEBDMO C[NH+]1CCN(CCCCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000531881949 562459920 /nfs/dbraw/zinc/45/99/20/562459920.db2.gz PJSJTUQXKNDYLV-UHFFFAOYSA-N 1 1 372.267 2.192 20 5 FEBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])cn3)c2)CCO1 ZINC000532144621 562468555 /nfs/dbraw/zinc/46/85/55/562468555.db2.gz DQDZHOVFZFODGM-AWEZNQCLSA-N 1 1 370.409 2.141 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])cn3)c2)CCO1 ZINC000532144621 562468556 /nfs/dbraw/zinc/46/85/56/562468556.db2.gz DQDZHOVFZFODGM-AWEZNQCLSA-N 1 1 370.409 2.141 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000532165060 562469352 /nfs/dbraw/zinc/46/93/52/562469352.db2.gz QEGOCJPBLBWKBR-CYBMUJFWSA-N 1 1 370.475 2.131 20 5 FEBDMO O=C(N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000532175624 562469891 /nfs/dbraw/zinc/46/98/91/562469891.db2.gz GUKSURNGBODQSP-ROUUACIJSA-N 1 1 372.425 2.449 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000533265080 562503100 /nfs/dbraw/zinc/50/31/00/562503100.db2.gz LJUAMABUJOUUBO-CQSZACIVSA-N 1 1 362.430 2.209 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000533498593 562510885 /nfs/dbraw/zinc/51/08/85/562510885.db2.gz XMFQRTFOGJCVEU-ZDUSSCGKSA-N 1 1 370.475 2.165 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)[NH+]1CCOCC1 ZINC000534248297 562528410 /nfs/dbraw/zinc/52/84/10/562528410.db2.gz VBVWIGUWIKUBBG-INIZCTEOSA-N 1 1 360.414 2.163 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000535015520 562547933 /nfs/dbraw/zinc/54/79/33/562547933.db2.gz UMMAVIJZNHGGHX-CYBMUJFWSA-N 1 1 367.471 2.405 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000535316515 562555770 /nfs/dbraw/zinc/55/57/70/562555770.db2.gz IUQYGSDRDLSLLO-NSHDSACASA-N 1 1 363.805 2.410 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000602888741 568006518 /nfs/dbraw/zinc/00/65/18/568006518.db2.gz BYOYJZMIVSDICF-INIZCTEOSA-N 1 1 351.472 2.235 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000602783139 568039419 /nfs/dbraw/zinc/03/94/19/568039419.db2.gz ZGYDKOUZYAYASN-UHFFFAOYSA-N 1 1 351.357 2.200 20 5 FEBDMO CO[C@H](C)c1nc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000569448488 568402767 /nfs/dbraw/zinc/40/27/67/568402767.db2.gz BYMNWGLVQXMSQW-BXUZGUMPSA-N 1 1 367.427 2.288 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(-c2nn[nH]n2)c1 ZINC000738370190 599534358 /nfs/dbraw/zinc/53/43/58/599534358.db2.gz NUNLCTYFUNXVPZ-UHFFFAOYSA-N 1 1 357.418 2.230 20 5 FEBDMO C[N@@H+](CCn1cc(Br)cn1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808802085 674472824 /nfs/dbraw/zinc/47/28/24/674472824.db2.gz GMSKARXSQLGZIK-AWEZNQCLSA-N 1 1 369.219 2.219 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820686574 606699610 /nfs/dbraw/zinc/69/96/10/606699610.db2.gz YKMXGSBRQQSZEQ-XQQFMLRXSA-N 1 1 372.433 2.012 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](OC(C)C)C2)c([N+](=O)[O-])c1 ZINC000563066915 674843146 /nfs/dbraw/zinc/84/31/46/674843146.db2.gz CPNUAJSUENUBAL-CQSZACIVSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010722 674895231 /nfs/dbraw/zinc/89/52/31/674895231.db2.gz XEPSYVYGMAFLMO-SECBINFHSA-N 1 1 367.830 2.396 20 5 FEBDMO Cc1nc(C[NH2+]C[C@H]2CC[C@H](CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001048607565 675011586 /nfs/dbraw/zinc/01/15/86/675011586.db2.gz WUNMWQHKKSDMPI-RRCSTGOVSA-N 1 1 366.487 2.129 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857744 675069205 /nfs/dbraw/zinc/06/92/05/675069205.db2.gz XXLPJTLFAFBHBM-OWCLPIDISA-N 1 1 351.447 2.187 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857744 675069206 /nfs/dbraw/zinc/06/92/06/675069206.db2.gz XXLPJTLFAFBHBM-OWCLPIDISA-N 1 1 351.447 2.187 20 5 FEBDMO CCc1nc(C)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000571515914 670885164 /nfs/dbraw/zinc/88/51/64/670885164.db2.gz FBACGUFVVRGMDX-UHFFFAOYSA-N 1 1 353.400 2.017 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000574328098 671227401 /nfs/dbraw/zinc/22/74/01/671227401.db2.gz SHXRRAHKAHCWFS-CHWSQXEVSA-N 1 1 371.459 2.097 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)n1 ZINC000578435169 671664867 /nfs/dbraw/zinc/66/48/67/671664867.db2.gz XHUYLMGGVZILRU-ZDUSSCGKSA-N 1 1 363.805 2.251 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609848423 675938979 /nfs/dbraw/zinc/93/89/79/675938979.db2.gz IVWZFDAIWAUXKE-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CCO)C1 ZINC000609848423 675938981 /nfs/dbraw/zinc/93/89/81/675938981.db2.gz IVWZFDAIWAUXKE-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO CC(C)Oc1nc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000581142309 671867524 /nfs/dbraw/zinc/86/75/24/671867524.db2.gz LOHBCTHOYRRNQC-ZDUSSCGKSA-N 1 1 352.435 2.058 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118114709 671883446 /nfs/dbraw/zinc/88/34/46/671883446.db2.gz MGNIOJGRPNEYBW-UHFFFAOYSA-N 1 1 356.810 2.035 20 5 FEBDMO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCSCC1 ZINC000610100410 675953992 /nfs/dbraw/zinc/95/39/92/675953992.db2.gz AFNDBWQOJAMWLO-UHFFFAOYSA-N 1 1 366.487 2.266 20 5 FEBDMO C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@H]2C1 ZINC000585798989 672235742 /nfs/dbraw/zinc/23/57/42/672235742.db2.gz VLMUNKOUUQEGMC-UONOGXRCSA-N 1 1 361.423 2.355 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@H]2C1 ZINC000585798989 672235744 /nfs/dbraw/zinc/23/57/44/672235744.db2.gz VLMUNKOUUQEGMC-UONOGXRCSA-N 1 1 361.423 2.355 20 5 FEBDMO CC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000611087346 676016295 /nfs/dbraw/zinc/01/62/95/676016295.db2.gz BGWQAVNJKQGVRE-NSHDSACASA-N 1 1 370.247 2.452 20 5 FEBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863080 672486779 /nfs/dbraw/zinc/48/67/79/672486779.db2.gz OWAJLWLANPWZAZ-ZIAGYGMSSA-N 1 1 361.423 2.091 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000611201667 676024624 /nfs/dbraw/zinc/02/46/24/676024624.db2.gz WTJUFBQJDJQXKT-LBPRGKRZSA-N 1 1 353.444 2.157 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000589373238 672523151 /nfs/dbraw/zinc/52/31/51/672523151.db2.gz JIZRFPZDLBPKDJ-UHFFFAOYSA-N 1 1 350.419 2.078 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000589373238 672523154 /nfs/dbraw/zinc/52/31/54/672523154.db2.gz JIZRFPZDLBPKDJ-UHFFFAOYSA-N 1 1 350.419 2.078 20 5 FEBDMO COCCO[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589517529 672529757 /nfs/dbraw/zinc/52/97/57/672529757.db2.gz IWOLKNUMAHYVPH-HNNXBMFYSA-N 1 1 352.387 2.009 20 5 FEBDMO COCCO[C@H]1CCC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589517529 672529761 /nfs/dbraw/zinc/52/97/61/672529761.db2.gz IWOLKNUMAHYVPH-HNNXBMFYSA-N 1 1 352.387 2.009 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591127 672594061 /nfs/dbraw/zinc/59/40/61/672594061.db2.gz JTSCTMHLRQUKQF-YPMHNXCESA-N 1 1 373.450 2.441 20 5 FEBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592184482 672768391 /nfs/dbraw/zinc/76/83/91/672768391.db2.gz MEQUTBGBTVBLBA-CQSZACIVSA-N 1 1 361.320 2.104 20 5 FEBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000592184482 672768395 /nfs/dbraw/zinc/76/83/95/672768395.db2.gz MEQUTBGBTVBLBA-CQSZACIVSA-N 1 1 361.320 2.104 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594483530 673087202 /nfs/dbraw/zinc/08/72/02/673087202.db2.gz NCOHXUAZQXWTLM-GOEBONIOSA-N 1 1 353.444 2.031 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000594788884 673142326 /nfs/dbraw/zinc/14/23/26/673142326.db2.gz HQHDKNACJAEQMQ-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000594788884 673142328 /nfs/dbraw/zinc/14/23/28/673142328.db2.gz HQHDKNACJAEQMQ-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594854464 673164882 /nfs/dbraw/zinc/16/48/82/673164882.db2.gz LMCIEEKJRDMSCU-CYBMUJFWSA-N 1 1 353.444 2.280 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000595471753 673255456 /nfs/dbraw/zinc/25/54/56/673255456.db2.gz PONQHWQTAMPNEK-ZDUSSCGKSA-N 1 1 350.419 2.275 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595500850 673258457 /nfs/dbraw/zinc/25/84/57/673258457.db2.gz MMFNXPAPVOZTKB-AWEZNQCLSA-N 1 1 350.419 2.146 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462584264 673265891 /nfs/dbraw/zinc/26/58/91/673265891.db2.gz ZUMFFSFDCJRWGX-OAHLLOKOSA-N 1 1 367.471 2.446 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595829119 673328732 /nfs/dbraw/zinc/32/87/32/673328732.db2.gz WONYCSLXJBZMCC-OAHLLOKOSA-N 1 1 350.419 2.181 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000595829119 673328735 /nfs/dbraw/zinc/32/87/35/673328735.db2.gz WONYCSLXJBZMCC-OAHLLOKOSA-N 1 1 350.419 2.181 20 5 FEBDMO COCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)CC1 ZINC000596076515 673356424 /nfs/dbraw/zinc/35/64/24/673356424.db2.gz GOORXCLQFJRJOL-UHFFFAOYSA-N 1 1 371.821 2.193 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000596121271 673360818 /nfs/dbraw/zinc/36/08/18/673360818.db2.gz YSQLZSCNVOCVFX-ZDUSSCGKSA-N 1 1 370.475 2.037 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000536601971 673371552 /nfs/dbraw/zinc/37/15/52/673371552.db2.gz RFUCLNLCFOUYMV-OLZOCXBDSA-N 1 1 367.471 2.498 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000536601971 673371556 /nfs/dbraw/zinc/37/15/56/673371556.db2.gz RFUCLNLCFOUYMV-OLZOCXBDSA-N 1 1 367.471 2.498 20 5 FEBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732811274 673383964 /nfs/dbraw/zinc/38/39/64/673383964.db2.gz QJCWIHUWBNBLOS-CYBMUJFWSA-N 1 1 361.320 2.069 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732811274 673383967 /nfs/dbraw/zinc/38/39/67/673383967.db2.gz QJCWIHUWBNBLOS-CYBMUJFWSA-N 1 1 361.320 2.069 20 5 FEBDMO COC(=O)c1cc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427232 673384321 /nfs/dbraw/zinc/38/43/21/673384321.db2.gz DNJPWJIUWPSUSO-CHWSQXEVSA-N 1 1 351.403 2.211 20 5 FEBDMO COC(=O)c1cc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427232 673384324 /nfs/dbraw/zinc/38/43/24/673384324.db2.gz DNJPWJIUWPSUSO-CHWSQXEVSA-N 1 1 351.403 2.211 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000537824283 673409792 /nfs/dbraw/zinc/40/97/92/673409792.db2.gz NOGYVINPTYHXKT-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000537824283 673409794 /nfs/dbraw/zinc/40/97/94/673409794.db2.gz NOGYVINPTYHXKT-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000734308886 673459716 /nfs/dbraw/zinc/45/97/16/673459716.db2.gz JYWRXOIAUVJGEW-UHFFFAOYSA-N 1 1 352.460 2.070 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597577937 673489277 /nfs/dbraw/zinc/48/92/77/673489277.db2.gz IBFNUESISXPFBH-UONOGXRCSA-N 1 1 351.378 2.008 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)OCCC[NH+]2CCOCC2)cc1SC ZINC000735893919 673506412 /nfs/dbraw/zinc/50/64/12/673506412.db2.gz MZVKPJDPGFPQSV-UHFFFAOYSA-N 1 1 370.427 2.204 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000599464782 673679109 /nfs/dbraw/zinc/67/91/09/673679109.db2.gz SUORCOXWGBMFAC-CYBMUJFWSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000599464782 673679111 /nfs/dbraw/zinc/67/91/11/673679111.db2.gz SUORCOXWGBMFAC-CYBMUJFWSA-N 1 1 357.407 2.029 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599544406 673690141 /nfs/dbraw/zinc/69/01/41/673690141.db2.gz GAHCWBWFVYNKJD-INIZCTEOSA-N 1 1 350.415 2.357 20 5 FEBDMO CC[N@@H+]1CC[C@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146633 673694155 /nfs/dbraw/zinc/69/41/55/673694155.db2.gz TZRAOYMDCVNBJM-JYJNAYRXSA-N 1 1 351.447 2.139 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146633 673694157 /nfs/dbraw/zinc/69/41/57/673694157.db2.gz TZRAOYMDCVNBJM-JYJNAYRXSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146633 673694158 /nfs/dbraw/zinc/69/41/58/673694158.db2.gz TZRAOYMDCVNBJM-JYJNAYRXSA-N 1 1 351.447 2.139 20 5 FEBDMO CCN1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000544146633 673694159 /nfs/dbraw/zinc/69/41/59/673694159.db2.gz TZRAOYMDCVNBJM-JYJNAYRXSA-N 1 1 351.447 2.139 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000544661107 673724302 /nfs/dbraw/zinc/72/43/02/673724302.db2.gz NETVCXUGVHDRTK-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000544661107 673724304 /nfs/dbraw/zinc/72/43/04/673724304.db2.gz NETVCXUGVHDRTK-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000742412342 673726989 /nfs/dbraw/zinc/72/69/89/673726989.db2.gz PMJRZEPIBNCJAH-UWVGGRQHSA-N 1 1 352.347 2.184 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000600035410 673736216 /nfs/dbraw/zinc/73/62/16/673736216.db2.gz NVVXTBQNNDNBBH-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO CSc1cccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000600108732 673741398 /nfs/dbraw/zinc/74/13/98/673741398.db2.gz SJKCGCSYRCSEEK-UHFFFAOYSA-N 1 1 365.455 2.254 20 5 FEBDMO CC1=CCN(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000545832405 673776996 /nfs/dbraw/zinc/77/69/96/673776996.db2.gz NMXVZABKFJSINU-UHFFFAOYSA-N 1 1 359.835 2.179 20 5 FEBDMO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000546093758 673791727 /nfs/dbraw/zinc/79/17/27/673791727.db2.gz ZWYMKUJUPDOZTR-KGLIPLIRSA-N 1 1 355.460 2.277 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000600981252 673816240 /nfs/dbraw/zinc/81/62/40/673816240.db2.gz CZLGQSRXAUECSG-RYUDHWBXSA-N 1 1 353.394 2.352 20 5 FEBDMO CCN(CC)C(=O)C[NH+]1CCC(Nc2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000601182016 673831201 /nfs/dbraw/zinc/83/12/01/673831201.db2.gz QJXUQBIQTLZJGE-UHFFFAOYSA-N 1 1 369.853 2.388 20 5 FEBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000601185187 673831677 /nfs/dbraw/zinc/83/16/77/673831677.db2.gz QMPQBPCTHZVVLW-SNVBAGLBSA-N 1 1 352.341 2.340 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC(C[NH+]2CCOCC2)C1 ZINC000601224295 673833851 /nfs/dbraw/zinc/83/38/51/673833851.db2.gz DOFPGOBZGGUWDZ-UHFFFAOYSA-N 1 1 354.794 2.044 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])s1 ZINC000601374105 673850803 /nfs/dbraw/zinc/85/08/03/673850803.db2.gz ALDZRYBPFOUKAD-RYUDHWBXSA-N 1 1 359.473 2.070 20 5 FEBDMO C[C@@H]1[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCS1(=O)=O ZINC000602727852 673910021 /nfs/dbraw/zinc/91/00/21/673910021.db2.gz WLBLLAQWTCAMDW-HZGVNTEJSA-N 1 1 369.262 2.084 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000602917630 673913779 /nfs/dbraw/zinc/91/37/79/673913779.db2.gz SQVKUOMSPNXNPL-GXTWGEPZSA-N 1 1 352.435 2.399 20 5 FEBDMO Cn1cc(C[N@H+](C)C[C@@H](O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566823763 675245290 /nfs/dbraw/zinc/24/52/90/675245290.db2.gz MVAGSHVLWFIEGM-CYBMUJFWSA-N 1 1 358.320 2.350 20 5 FEBDMO Cn1cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566823763 675245293 /nfs/dbraw/zinc/24/52/93/675245293.db2.gz MVAGSHVLWFIEGM-CYBMUJFWSA-N 1 1 358.320 2.350 20 5 FEBDMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000819383017 675286989 /nfs/dbraw/zinc/28/69/89/675286989.db2.gz HKDWIBQHEMUTDS-SKDRFNHKSA-N 1 1 351.384 2.222 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)SC[C@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000567849392 675328923 /nfs/dbraw/zinc/32/89/23/675328923.db2.gz XBOYHHSBVZRKFZ-QWHCGFSZSA-N 1 1 353.444 2.294 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)SC[C@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000567849392 675328924 /nfs/dbraw/zinc/32/89/24/675328924.db2.gz XBOYHHSBVZRKFZ-QWHCGFSZSA-N 1 1 353.444 2.294 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000820159722 675340463 /nfs/dbraw/zinc/34/04/63/675340463.db2.gz PCXLULUZWXWDMD-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000820159722 675340466 /nfs/dbraw/zinc/34/04/66/675340466.db2.gz PCXLULUZWXWDMD-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCCCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930368 675801942 /nfs/dbraw/zinc/80/19/42/675801942.db2.gz RUVGEDFLVSKCDU-ZDUSSCGKSA-N 1 1 370.475 2.166 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000615833530 676231433 /nfs/dbraw/zinc/23/14/33/676231433.db2.gz XMAFOHAYKSPCBE-BMQCOBNYSA-N 1 1 353.444 2.012 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000615833530 676231434 /nfs/dbraw/zinc/23/14/34/676231434.db2.gz XMAFOHAYKSPCBE-BMQCOBNYSA-N 1 1 353.444 2.012 20 5 FEBDMO CCOC(=O)CC(C)(C)C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000839129720 680740200 /nfs/dbraw/zinc/74/02/00/680740200.db2.gz MSIXXRBPJYNOEQ-UHFFFAOYSA-N 1 1 350.419 2.091 20 5 FEBDMO CSC[C@H]1CCC[N@@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840028903 680793873 /nfs/dbraw/zinc/79/38/73/680793873.db2.gz UONDWAMZGMOGMZ-CJNGLKHVSA-N 1 1 351.428 2.317 20 5 FEBDMO CSC[C@H]1CCC[N@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840028903 680793875 /nfs/dbraw/zinc/79/38/75/680793875.db2.gz UONDWAMZGMOGMZ-CJNGLKHVSA-N 1 1 351.428 2.317 20 5 FEBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206604 680835329 /nfs/dbraw/zinc/83/53/29/680835329.db2.gz BYAXDBFBVAEXDS-BXKDBHETSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206604 680835332 /nfs/dbraw/zinc/83/53/32/680835332.db2.gz BYAXDBFBVAEXDS-BXKDBHETSA-N 1 1 359.835 2.009 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747962729 679916381 /nfs/dbraw/zinc/91/63/81/679916381.db2.gz SDCSJPPBIRJIOS-UHFFFAOYSA-N 1 1 355.439 2.274 20 5 FEBDMO C[N@H+]1CCCN(CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749996061 680093900 /nfs/dbraw/zinc/09/39/00/680093900.db2.gz FIDCSAJZPJGHCV-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@H+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749996061 680093906 /nfs/dbraw/zinc/09/39/06/680093906.db2.gz FIDCSAJZPJGHCV-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@@H+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000749996061 680093909 /nfs/dbraw/zinc/09/39/09/680093909.db2.gz FIDCSAJZPJGHCV-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139577 680101009 /nfs/dbraw/zinc/10/10/09/680101009.db2.gz GNVSDXCJMCKGHD-AAVRWANBSA-N 1 1 358.225 2.395 20 5 FEBDMO CCCc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001034643560 680436588 /nfs/dbraw/zinc/43/65/88/680436588.db2.gz PGBJIICCCZFBBF-QHSBEEBCSA-N 1 1 366.487 2.278 20 5 FEBDMO C[N@@H+](Cc1cc(F)cc(F)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430989 680447550 /nfs/dbraw/zinc/44/75/50/680447550.db2.gz LFRBMIYUSMUTLW-HZPDHXFCSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@H+](Cc1cc(F)cc(F)c1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430989 680447555 /nfs/dbraw/zinc/44/75/55/680447555.db2.gz LFRBMIYUSMUTLW-HZPDHXFCSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@@H+](Cc1cc(F)cc(F)c1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430989 680447559 /nfs/dbraw/zinc/44/75/59/680447559.db2.gz LFRBMIYUSMUTLW-HZPDHXFCSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@@H+](CCCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000841527174 680892211 /nfs/dbraw/zinc/89/22/11/680892211.db2.gz HQCWGHUBOLGLJY-UHFFFAOYSA-N 1 1 361.851 2.401 20 5 FEBDMO O=C1CC2(CN1)CC[NH+](Cc1c(Br)cccc1[N+](=O)[O-])CC2 ZINC000769445903 680983289 /nfs/dbraw/zinc/98/32/89/680983289.db2.gz LJHLZPQJJHAUBM-UHFFFAOYSA-N 1 1 368.231 2.459 20 5 FEBDMO CCc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC001050325375 681045132 /nfs/dbraw/zinc/04/51/32/681045132.db2.gz ARLMZGQJFVZOST-QHSBEEBCSA-N 1 1 366.487 2.135 20 5 FEBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000932509410 681258449 /nfs/dbraw/zinc/25/84/49/681258449.db2.gz MZJSIMRWFGIBMG-CQSZACIVSA-N 1 1 351.451 2.117 20 5 FEBDMO O=[N+]([O-])c1cccc(CN2CCN(c3[nH]cc[nH+]3)CC2)c1Br ZINC000846876483 681301963 /nfs/dbraw/zinc/30/19/63/681301963.db2.gz UIVUNCCEELDRIO-UHFFFAOYSA-N 1 1 366.219 2.403 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000846986670 681317262 /nfs/dbraw/zinc/31/72/62/681317262.db2.gz CKLSDQAGAAGQDL-GFCCVEGCSA-N 1 1 352.410 2.356 20 5 FEBDMO CC[N@@H+](C)C[C@H](O)CN[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000846997555 681318356 /nfs/dbraw/zinc/31/83/56/681318356.db2.gz UOSIHLNMWBMXJO-NOZJJQNGSA-N 1 1 353.316 2.240 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847257257 681354265 /nfs/dbraw/zinc/35/42/65/681354265.db2.gz VUZLMALYROZIIQ-GDBMZVCRSA-N 1 1 351.378 2.246 20 5 FEBDMO O=C(N1CCOCC1)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000934061625 681502727 /nfs/dbraw/zinc/50/27/27/681502727.db2.gz VLPWQPHLAVXNDW-UHFFFAOYSA-N 1 1 353.444 2.308 20 5 FEBDMO COc1cc(C(=O)N2C[C@]3(C)C[N@@H+](C)C[C@]3(C)C2)c([N+](=O)[O-])cc1F ZINC000913277198 685474936 /nfs/dbraw/zinc/47/49/36/685474936.db2.gz RPHOFNIUABNEDK-CALCHBBNSA-N 1 1 351.378 2.156 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000779902381 681769779 /nfs/dbraw/zinc/76/97/79/681769779.db2.gz OZVRQIXYIYWJOI-MNOVXSKESA-N 1 1 361.851 2.318 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCS(=O)(=O)CC(F)(F)F)c1 ZINC000850364003 681891398 /nfs/dbraw/zinc/89/13/98/681891398.db2.gz NVBUJEZEEHXYKK-UHFFFAOYSA-N 1 1 360.741 2.315 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1Br ZINC000781673516 681960023 /nfs/dbraw/zinc/96/00/23/681960023.db2.gz RBEXZIBRNAQEQE-UHFFFAOYSA-N 1 1 373.203 2.236 20 5 FEBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C)[C@H]1CC[N@@H+](C)C1 ZINC000855363960 682662273 /nfs/dbraw/zinc/66/22/73/682662273.db2.gz WUGGXVRANYHLKT-LBPRGKRZSA-N 1 1 350.375 2.286 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000790272466 682664653 /nfs/dbraw/zinc/66/46/53/682664653.db2.gz PGUILAAATBFQHZ-LLVKDONJSA-N 1 1 351.790 2.485 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000795095106 683017328 /nfs/dbraw/zinc/01/73/28/683017328.db2.gz BQYRWHPWZHNNLM-OAHLLOKOSA-N 1 1 350.488 2.428 20 5 FEBDMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)[C@H]1C(C)C ZINC000926263154 683100314 /nfs/dbraw/zinc/10/03/14/683100314.db2.gz OQAKSPLTIVDRBQ-GADXADSLSA-N 1 1 367.471 2.256 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cccc([N+](=O)[O-])c3Cl)CC2)C1 ZINC000859411865 683104136 /nfs/dbraw/zinc/10/41/36/683104136.db2.gz OOZOAGQQSVTTTD-ZDUSSCGKSA-N 1 1 366.849 2.100 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795927429 683109450 /nfs/dbraw/zinc/10/94/50/683109450.db2.gz FDFKKDXSGJCDMS-UHFFFAOYSA-N 1 1 365.814 2.102 20 5 FEBDMO O=C(CC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000859924728 683173837 /nfs/dbraw/zinc/17/38/37/683173837.db2.gz OGKPFPBCGIUSAD-YVEFUNNKSA-N 1 1 351.378 2.157 20 5 FEBDMO Cc1cc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c(C)cc1[N+](=O)[O-] ZINC000919837364 683302579 /nfs/dbraw/zinc/30/25/79/683302579.db2.gz WHJFDZGLIYLDAV-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@H]1[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928456114 683455430 /nfs/dbraw/zinc/45/54/30/683455430.db2.gz NTEWBRURSPVMHZ-JOYOIKCWSA-N 1 1 361.320 2.358 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000862214204 683551042 /nfs/dbraw/zinc/55/10/42/683551042.db2.gz JSNGVZKZCBCOQU-UHFFFAOYSA-N 1 1 367.833 2.493 20 5 FEBDMO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385735 683712000 /nfs/dbraw/zinc/71/20/00/683712000.db2.gz ABVYJRXAVOJQGC-TVFCKZIOSA-N 1 1 351.422 2.303 20 5 FEBDMO CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385735 683712006 /nfs/dbraw/zinc/71/20/06/683712006.db2.gz ABVYJRXAVOJQGC-TVFCKZIOSA-N 1 1 351.422 2.303 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC000930844183 683792095 /nfs/dbraw/zinc/79/20/95/683792095.db2.gz BQUZTIZVDOJEAE-RRFJBIMHSA-N 1 1 357.451 2.047 20 5 FEBDMO C[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000866260840 684086797 /nfs/dbraw/zinc/08/67/97/684086797.db2.gz YBZVVBIZSOGPDW-GJZGRUSLSA-N 1 1 352.454 2.138 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925137592 684527295 /nfs/dbraw/zinc/52/72/95/684527295.db2.gz DCWCZSKQCUGCSN-GXTWGEPZSA-N 1 1 366.443 2.305 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000872662596 685000129 /nfs/dbraw/zinc/00/01/29/685000129.db2.gz JCSDVNVIMXZIOK-LSDHHAIUSA-N 1 1 353.444 2.069 20 5 FEBDMO CN(C[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000876690980 686244325 /nfs/dbraw/zinc/24/43/25/686244325.db2.gz WZMZHMCFSKNBOP-LBPRGKRZSA-N 1 1 353.423 2.017 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000876690980 686244331 /nfs/dbraw/zinc/24/43/31/686244331.db2.gz WZMZHMCFSKNBOP-LBPRGKRZSA-N 1 1 353.423 2.017 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](OC)CC[C@H]1C ZINC000879322723 686795837 /nfs/dbraw/zinc/79/58/37/686795837.db2.gz VJRJKDTXQULJGS-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000882480724 687374503 /nfs/dbraw/zinc/37/45/03/687374503.db2.gz AIQIGRXRQLNEHG-SECBINFHSA-N 1 1 359.329 2.029 20 5 FEBDMO C[N@H+]1CCC[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883178186 687582550 /nfs/dbraw/zinc/58/25/50/687582550.db2.gz QORPSMNIXUDGPB-LBPRGKRZSA-N 1 1 371.235 2.251 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000885875051 688175551 /nfs/dbraw/zinc/17/55/51/688175551.db2.gz DVCYFDDZADSUEE-GFCCVEGCSA-N 1 1 353.806 2.231 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886562431 688275309 /nfs/dbraw/zinc/27/53/09/688275309.db2.gz ZTTHGJWXIRYGLF-UTUOFQBUSA-N 1 1 351.428 2.225 20 5 FEBDMO COCC[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000888288712 688578370 /nfs/dbraw/zinc/57/83/70/688578370.db2.gz WOFVVUXHKMECNJ-UHFFFAOYSA-N 1 1 356.810 2.353 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756900 688818383 /nfs/dbraw/zinc/81/83/83/688818383.db2.gz PCLNTEJVKQZZKH-KBPBESRZSA-N 1 1 367.833 2.228 20 5 FEBDMO CO[C@]1(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCSC1 ZINC000893052938 689288220 /nfs/dbraw/zinc/28/82/20/689288220.db2.gz KVCUXCQWSIZWGA-DOTOQJQBSA-N 1 1 366.439 2.234 20 5 FEBDMO CO[C@]1(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCSC1 ZINC000893052938 689288222 /nfs/dbraw/zinc/28/82/22/689288222.db2.gz KVCUXCQWSIZWGA-DOTOQJQBSA-N 1 1 366.439 2.234 20 5 FEBDMO CCOC(=O)c1ccnc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895567520 689736671 /nfs/dbraw/zinc/73/66/71/689736671.db2.gz QSJLOHLWFWJUFH-QWHCGFSZSA-N 1 1 366.443 2.158 20 5 FEBDMO CCOC(=O)c1ccnc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895567520 689736672 /nfs/dbraw/zinc/73/66/72/689736672.db2.gz QSJLOHLWFWJUFH-QWHCGFSZSA-N 1 1 366.443 2.158 20 5 FEBDMO C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896579280 689899887 /nfs/dbraw/zinc/89/98/87/689899887.db2.gz BQFATQIUDJITHW-RISCZKNCSA-N 1 1 362.455 2.174 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000897220081 689990112 /nfs/dbraw/zinc/99/01/12/689990112.db2.gz SCUZHTNCSMRRFN-CHWSQXEVSA-N 1 1 370.247 2.393 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897220081 689990113 /nfs/dbraw/zinc/99/01/13/689990113.db2.gz SCUZHTNCSMRRFN-CHWSQXEVSA-N 1 1 370.247 2.393 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000901084423 690611320 /nfs/dbraw/zinc/61/13/20/690611320.db2.gz LDIIHXKJEQGAQZ-UHFFFAOYSA-N 1 1 367.768 2.083 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000902904411 690818829 /nfs/dbraw/zinc/81/88/29/690818829.db2.gz KJAZXUQOAJQSBQ-KBPBESRZSA-N 1 1 354.407 2.435 20 5 FEBDMO COc1cc([C@@H](C)[NH2+]CC(C)(C)N2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903064895 690840580 /nfs/dbraw/zinc/84/05/80/690840580.db2.gz AYLPYEIFXJUMIW-CQSZACIVSA-N 1 1 350.463 2.280 20 5 FEBDMO O=[N+]([O-])c1ccc(NC(=S)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000905633533 691154366 /nfs/dbraw/zinc/15/43/66/691154366.db2.gz LJMIFYPCGKDAFK-KBPBESRZSA-N 1 1 352.485 2.461 20 5 FEBDMO COc1cc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164724297 720371556 /nfs/dbraw/zinc/37/15/56/720371556.db2.gz JCYVTHALDRVIOY-LSDHHAIUSA-N 1 1 355.398 2.247 20 5 FEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926897 721871654 /nfs/dbraw/zinc/87/16/54/721871654.db2.gz SPIFUNOOEJXMIV-DLBZAZTESA-N 1 1 355.442 2.358 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926897 721871655 /nfs/dbraw/zinc/87/16/55/721871655.db2.gz SPIFUNOOEJXMIV-DLBZAZTESA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000023977035 539723368 /nfs/dbraw/zinc/72/33/68/539723368.db2.gz FZZXZJKUDFBPHN-ZDUSSCGKSA-N 1 1 355.441 2.238 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000027146601 539801411 /nfs/dbraw/zinc/80/14/11/539801411.db2.gz ICDVBHPWNXBODA-HNNXBMFYSA-N 1 1 367.471 2.160 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000032268976 539933518 /nfs/dbraw/zinc/93/35/18/539933518.db2.gz XRFWJWZPZIOQBE-ZDUSSCGKSA-N 1 1 367.471 2.403 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c1C ZINC000045713553 540223234 /nfs/dbraw/zinc/22/32/34/540223234.db2.gz MBDWOFLLSZAUNV-UHFFFAOYSA-N 1 1 367.471 2.461 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)CCNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000047434462 540310214 /nfs/dbraw/zinc/31/02/14/540310214.db2.gz RQNXLXMTQJPCMH-GASCZTMLSA-N 1 1 364.446 2.012 20 5 FEBDMO C[C@H](C(N)=O)N1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000048018456 540340802 /nfs/dbraw/zinc/34/08/02/540340802.db2.gz ZGLQDBJAAXWYFA-CYBMUJFWSA-N 1 1 374.466 2.315 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000051042694 540420319 /nfs/dbraw/zinc/42/03/19/540420319.db2.gz GKUWHCFOBZCDNP-AWEZNQCLSA-N 1 1 373.413 2.383 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000051042694 540420322 /nfs/dbraw/zinc/42/03/22/540420322.db2.gz GKUWHCFOBZCDNP-AWEZNQCLSA-N 1 1 373.413 2.383 20 5 FEBDMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000052721592 540485545 /nfs/dbraw/zinc/48/55/45/540485545.db2.gz HGCAPXCVRTXLFU-UHFFFAOYSA-N 1 1 352.410 2.161 20 5 FEBDMO CC(C)(C)NC(=O)C[N@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000052721592 540485548 /nfs/dbraw/zinc/48/55/48/540485548.db2.gz HGCAPXCVRTXLFU-UHFFFAOYSA-N 1 1 352.410 2.161 20 5 FEBDMO C[N@H+](CCc1ccccc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053048243 540508634 /nfs/dbraw/zinc/50/86/34/540508634.db2.gz QRDJMBCBKJKFMR-UHFFFAOYSA-N 1 1 357.366 2.437 20 5 FEBDMO C[N@@H+](CCc1ccccc1)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000053048243 540508637 /nfs/dbraw/zinc/50/86/37/540508637.db2.gz QRDJMBCBKJKFMR-UHFFFAOYSA-N 1 1 357.366 2.437 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053515198 540541176 /nfs/dbraw/zinc/54/11/76/540541176.db2.gz UUGXIIHQVJOUPJ-CQSZACIVSA-N 1 1 371.441 2.457 20 5 FEBDMO CNC(=O)c1ccc(NC[C@@H](CC(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000053556366 540542750 /nfs/dbraw/zinc/54/27/50/540542750.db2.gz HDBOTGNIJGYKON-OAHLLOKOSA-N 1 1 364.446 2.113 20 5 FEBDMO COc1cc(C(=O)NCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000054281639 540579994 /nfs/dbraw/zinc/57/99/94/540579994.db2.gz FITKVBQTSYGWLK-UHFFFAOYSA-N 1 1 373.409 2.474 20 5 FEBDMO COc1cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000055406609 540651978 /nfs/dbraw/zinc/65/19/78/540651978.db2.gz ONTPMBPCDFHKOL-QWHCGFSZSA-N 1 1 365.430 2.462 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000060318552 540871049 /nfs/dbraw/zinc/87/10/49/540871049.db2.gz RHMLPVISPVYVOA-KRWDZBQOSA-N 1 1 371.441 2.271 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000068178608 541558489 /nfs/dbraw/zinc/55/84/89/541558489.db2.gz VLXSWLVCYCIRPH-KRWDZBQOSA-N 1 1 374.441 2.023 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069074838 541654643 /nfs/dbraw/zinc/65/46/43/541654643.db2.gz ZKYMNYDILKULBT-CQSZACIVSA-N 1 1 350.419 2.005 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000070830302 541746183 /nfs/dbraw/zinc/74/61/83/541746183.db2.gz IEHNRYMJAOWTKI-ZDUSSCGKSA-N 1 1 371.459 2.146 20 5 FEBDMO C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664900 541847124 /nfs/dbraw/zinc/84/71/24/541847124.db2.gz KJRZCDQFUFVWLM-GJZGRUSLSA-N 1 1 361.446 2.267 20 5 FEBDMO C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664900 541847129 /nfs/dbraw/zinc/84/71/29/541847129.db2.gz KJRZCDQFUFVWLM-GJZGRUSLSA-N 1 1 361.446 2.267 20 5 FEBDMO Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665343 541847281 /nfs/dbraw/zinc/84/72/81/541847281.db2.gz MVDIYCMUYKBOGG-INIZCTEOSA-N 1 1 369.425 2.101 20 5 FEBDMO Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000072665343 541847283 /nfs/dbraw/zinc/84/72/83/541847283.db2.gz MVDIYCMUYKBOGG-INIZCTEOSA-N 1 1 369.425 2.101 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000072758827 541860553 /nfs/dbraw/zinc/86/05/53/541860553.db2.gz GZFGANLUAVGEDP-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000075704974 542198378 /nfs/dbraw/zinc/19/83/78/542198378.db2.gz CLOVODCUXBUGDK-INIZCTEOSA-N 1 1 363.439 2.484 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000076408245 542275513 /nfs/dbraw/zinc/27/55/13/542275513.db2.gz ATUWWGUHSOSBHT-VXGBXAGGSA-N 1 1 359.835 2.153 20 5 FEBDMO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000078022677 542436820 /nfs/dbraw/zinc/43/68/20/542436820.db2.gz JQPRYNQXOQFNEN-QGZVFWFLSA-N 1 1 371.441 2.336 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000078022677 542436821 /nfs/dbraw/zinc/43/68/21/542436821.db2.gz JQPRYNQXOQFNEN-QGZVFWFLSA-N 1 1 371.441 2.336 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000080482512 542591903 /nfs/dbraw/zinc/59/19/03/542591903.db2.gz UWFAGIODOYWEKN-UHFFFAOYSA-N 1 1 363.458 2.442 20 5 FEBDMO Cc1ccc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000080636168 542598977 /nfs/dbraw/zinc/59/89/77/542598977.db2.gz ABLOWUROTDZUED-UHFFFAOYSA-N 1 1 360.458 2.284 20 5 FEBDMO Cc1nn(C)c(NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000051995386 132302175 /nfs/dbraw/zinc/30/21/75/132302175.db2.gz HTYIVNCNTRHZHR-UHFFFAOYSA-N 1 1 362.409 2.010 20 5 FEBDMO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093843230 542943106 /nfs/dbraw/zinc/94/31/06/542943106.db2.gz FZDLGIGFXNIZMI-DBWMJRBXSA-N 1 1 372.469 2.237 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[N@@H+](C)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000104572451 543134547 /nfs/dbraw/zinc/13/45/47/543134547.db2.gz MZTOVSWYARZIHH-UHFFFAOYSA-N 1 1 363.414 2.376 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000108406245 543289412 /nfs/dbraw/zinc/28/94/12/543289412.db2.gz JHNVHDOOGKHXHL-NSHDSACASA-N 1 1 361.851 2.177 20 5 FEBDMO COc1ccc(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000109751179 543336093 /nfs/dbraw/zinc/33/60/93/543336093.db2.gz BCLBKQIJJHGJQT-QGZVFWFLSA-N 1 1 362.474 2.205 20 5 FEBDMO CNC(=O)[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000111269359 543390791 /nfs/dbraw/zinc/39/07/91/543390791.db2.gz TXFKKEGEWBCVDG-AWEZNQCLSA-N 1 1 358.398 2.250 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCN(C)CC1 ZINC000112560665 543452496 /nfs/dbraw/zinc/45/24/96/543452496.db2.gz JPNXHYNLYWPALP-INIZCTEOSA-N 1 1 368.865 2.250 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000112852326 543465307 /nfs/dbraw/zinc/46/53/07/543465307.db2.gz KGVADHMQVPDBQZ-CABCVRRESA-N 1 1 374.441 2.175 20 5 FEBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000113248535 543479200 /nfs/dbraw/zinc/47/92/00/543479200.db2.gz NNPMWHKZCYEKEP-DZGCQCFKSA-N 1 1 369.425 2.232 20 5 FEBDMO COCC[N@@H+](C)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113333532 543484471 /nfs/dbraw/zinc/48/44/71/543484471.db2.gz NZBVPDNVRCKLOW-UHFFFAOYSA-N 1 1 350.444 2.386 20 5 FEBDMO COCCN(C)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113333532 543484473 /nfs/dbraw/zinc/48/44/73/543484473.db2.gz NZBVPDNVRCKLOW-UHFFFAOYSA-N 1 1 350.444 2.386 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000114378858 543511735 /nfs/dbraw/zinc/51/17/35/543511735.db2.gz LTNMLYOINJQNSI-UHFFFAOYSA-N 1 1 368.865 2.396 20 5 FEBDMO CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000114073061 543503342 /nfs/dbraw/zinc/50/33/42/543503342.db2.gz JYYGPIOYSZWQJD-HOCLYGCPSA-N 1 1 363.414 2.188 20 5 FEBDMO CCC[N@H+]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000114463082 543517992 /nfs/dbraw/zinc/51/79/92/543517992.db2.gz DGWSKLAKUHHLML-UHFFFAOYSA-N 1 1 364.446 2.350 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000115679026 543581197 /nfs/dbraw/zinc/58/11/97/543581197.db2.gz SFBXLKDOGAPZOJ-CQSZACIVSA-N 1 1 374.422 2.358 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000115679026 543581199 /nfs/dbraw/zinc/58/11/99/543581199.db2.gz SFBXLKDOGAPZOJ-CQSZACIVSA-N 1 1 374.422 2.358 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000119084042 543663672 /nfs/dbraw/zinc/66/36/72/543663672.db2.gz KBTZMQCYNFDTEE-UHFFFAOYSA-N 1 1 352.416 2.119 20 5 FEBDMO C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000124548203 543828874 /nfs/dbraw/zinc/82/88/74/543828874.db2.gz KQDRPQNQHHTLJR-SFHVURJKSA-N 1 1 354.410 2.182 20 5 FEBDMO C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000124548203 543828876 /nfs/dbraw/zinc/82/88/76/543828876.db2.gz KQDRPQNQHHTLJR-SFHVURJKSA-N 1 1 354.410 2.182 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000124660232 543835697 /nfs/dbraw/zinc/83/56/97/543835697.db2.gz CQNHXGZRDMVMJZ-LLVKDONJSA-N 1 1 353.806 2.322 20 5 FEBDMO CCOc1cc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000127184143 543977177 /nfs/dbraw/zinc/97/71/77/543977177.db2.gz XLMIFDQYNMOURO-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000130784944 544164938 /nfs/dbraw/zinc/16/49/38/544164938.db2.gz XNCLUPIMYXXUPQ-UHFFFAOYSA-N 1 1 368.397 2.448 20 5 FEBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1COc2ccccc2O1 ZINC000131155862 544178622 /nfs/dbraw/zinc/17/86/22/544178622.db2.gz WPMHYKCZFAXZBE-INIZCTEOSA-N 1 1 373.409 2.309 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000131795699 544207415 /nfs/dbraw/zinc/20/74/15/544207415.db2.gz WEYJTVOTZWSRGR-YOEHRIQHSA-N 1 1 371.441 2.127 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000132273446 544225161 /nfs/dbraw/zinc/22/51/61/544225161.db2.gz URUODEQLOLFBLO-RDJZCZTQSA-N 1 1 371.441 2.303 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000133390706 544268151 /nfs/dbraw/zinc/26/81/51/544268151.db2.gz KZDFNSFJWIHFCS-UHFFFAOYSA-N 1 1 365.478 2.460 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H](C)O1 ZINC000247505100 549346510 /nfs/dbraw/zinc/34/65/10/549346510.db2.gz ITQQMGXPWHERPN-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1ccc([C@H]2CSCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000247527451 549349870 /nfs/dbraw/zinc/34/98/70/549349870.db2.gz NYDOZPVRLYTQER-IAGOWNOFSA-N 1 1 362.455 2.251 20 5 FEBDMO CCC[C@@H]1C(=O)NCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000152455479 544654761 /nfs/dbraw/zinc/65/47/61/544654761.db2.gz MBYFUVWLQOXWGU-OAHLLOKOSA-N 1 1 358.398 2.393 20 5 FEBDMO CCC[C@@H]1C(=O)NCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000152455479 544654765 /nfs/dbraw/zinc/65/47/65/544654765.db2.gz MBYFUVWLQOXWGU-OAHLLOKOSA-N 1 1 358.398 2.393 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000152571623 544669277 /nfs/dbraw/zinc/66/92/77/544669277.db2.gz QQCRABCUBYMKJO-CYBMUJFWSA-N 1 1 368.865 2.252 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000152877684 544706620 /nfs/dbraw/zinc/70/66/20/544706620.db2.gz ZCGHEGSYVHSLPQ-AVGNSLFASA-N 1 1 351.403 2.166 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000152877684 544706622 /nfs/dbraw/zinc/70/66/22/544706622.db2.gz ZCGHEGSYVHSLPQ-AVGNSLFASA-N 1 1 351.403 2.166 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000153510052 544784479 /nfs/dbraw/zinc/78/44/79/544784479.db2.gz YREWRMIGEPDVON-QGZVFWFLSA-N 1 1 358.394 2.401 20 5 FEBDMO CC(C)[C@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000803494481 674246334 /nfs/dbraw/zinc/24/63/34/674246334.db2.gz FZZMAPVZKXMERX-CQSZACIVSA-N 1 1 357.794 2.316 20 5 FEBDMO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000553547167 674269930 /nfs/dbraw/zinc/26/99/30/674269930.db2.gz JSUBYLBHGCIXPE-ZETCQYMHSA-N 1 1 356.231 2.130 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000187171080 328006578 /nfs/dbraw/zinc/00/65/78/328006578.db2.gz VHOWZTDTZHVFDN-CJNGLKHVSA-N 1 1 370.409 2.478 20 5 FEBDMO CC[C@@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187609788 328035777 /nfs/dbraw/zinc/03/57/77/328035777.db2.gz YWNOKBTWZBSGGT-GOSISDBHSA-N 1 1 365.430 2.417 20 5 FEBDMO CCC[N@H+]1CC[C@H](CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188929009 328118349 /nfs/dbraw/zinc/11/83/49/328118349.db2.gz VHVXIKUTGYTULU-CQSZACIVSA-N 1 1 362.430 2.099 20 5 FEBDMO CCCN1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1=O ZINC000189416568 328146856 /nfs/dbraw/zinc/14/68/56/328146856.db2.gz NYMBEHZXAFCGDI-UHFFFAOYSA-N 1 1 366.393 2.007 20 5 FEBDMO CCCN1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1=O ZINC000189416568 328146857 /nfs/dbraw/zinc/14/68/57/328146857.db2.gz NYMBEHZXAFCGDI-UHFFFAOYSA-N 1 1 366.393 2.007 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000191406352 328264162 /nfs/dbraw/zinc/26/41/62/328264162.db2.gz SMNHOPFGSDWLOH-ZDUSSCGKSA-N 1 1 363.462 2.217 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000191408586 328264223 /nfs/dbraw/zinc/26/42/23/328264223.db2.gz MUERUWVLSIBFCA-ZIAGYGMSSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000191408586 328264224 /nfs/dbraw/zinc/26/42/24/328264224.db2.gz MUERUWVLSIBFCA-ZIAGYGMSSA-N 1 1 350.419 2.130 20 5 FEBDMO CC(C)C[C@]1(CO)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000191647133 328275687 /nfs/dbraw/zinc/27/56/87/328275687.db2.gz FLGJSDGJWRENEM-KRWDZBQOSA-N 1 1 370.471 2.242 20 5 FEBDMO CC(C)C[C@]1(CO)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000191647133 328275689 /nfs/dbraw/zinc/27/56/89/328275689.db2.gz FLGJSDGJWRENEM-KRWDZBQOSA-N 1 1 370.471 2.242 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000192054416 328297257 /nfs/dbraw/zinc/29/72/57/328297257.db2.gz ZWYSJLWFCFYQME-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000192070003 328298123 /nfs/dbraw/zinc/29/81/23/328298123.db2.gz MOCXJYFWKZLDDH-UHFFFAOYSA-N 1 1 366.443 2.427 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000008896219 324363483 /nfs/dbraw/zinc/36/34/83/324363483.db2.gz KKXFJCZMWVPDLX-AWEZNQCLSA-N 1 1 355.441 2.238 20 5 FEBDMO CCOC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081519573 325180224 /nfs/dbraw/zinc/18/02/24/325180224.db2.gz OYKZGMHQOHLFQV-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOC[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081519574 325180645 /nfs/dbraw/zinc/18/06/45/325180645.db2.gz OYKZGMHQOHLFQV-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CC(C)C(=O)N1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000118830836 326105847 /nfs/dbraw/zinc/10/58/47/326105847.db2.gz DYBLBIGJJGKCLC-UHFFFAOYSA-N 1 1 362.430 2.114 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c1C ZINC000119542851 326173474 /nfs/dbraw/zinc/17/34/74/326173474.db2.gz CFXSFSQKZMITFD-UHFFFAOYSA-N 1 1 367.471 2.461 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000120679849 326278075 /nfs/dbraw/zinc/27/80/75/326278075.db2.gz GDNDYMGDWZEINT-JQWIXIFHSA-N 1 1 368.821 2.128 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000120701910 326280225 /nfs/dbraw/zinc/28/02/25/326280225.db2.gz OUICLGADOPXIOJ-GXTWGEPZSA-N 1 1 365.430 2.414 20 5 FEBDMO CCOc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000120701361 326280319 /nfs/dbraw/zinc/28/03/19/326280319.db2.gz KYOOBARLLNHGKB-JSGCOSHPSA-N 1 1 365.430 2.414 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000121361276 326332897 /nfs/dbraw/zinc/33/28/97/326332897.db2.gz PBGUBUDATSSJBS-CQSZACIVSA-N 1 1 374.441 2.283 20 5 FEBDMO C[NH+](C)CCC1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000121651305 326355030 /nfs/dbraw/zinc/35/50/30/326355030.db2.gz LNAFGMLVMFNKED-SFHVURJKSA-N 1 1 360.458 2.364 20 5 FEBDMO Cc1cc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000121878199 326373456 /nfs/dbraw/zinc/37/34/56/326373456.db2.gz QEOFRQZFUKEDMW-UHFFFAOYSA-N 1 1 357.414 2.314 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000159723471 326940194 /nfs/dbraw/zinc/94/01/94/326940194.db2.gz CIVQBZIHBOQXNH-UHFFFAOYSA-N 1 1 362.817 2.232 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000160091412 326952923 /nfs/dbraw/zinc/95/29/23/326952923.db2.gz HFWAOMUVZCAGOM-RMKNXTFCSA-N 1 1 361.442 2.425 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000163072326 327041836 /nfs/dbraw/zinc/04/18/36/327041836.db2.gz SVRAYCWRCRKVAE-INIZCTEOSA-N 1 1 350.419 2.382 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000172208079 327187227 /nfs/dbraw/zinc/18/72/27/327187227.db2.gz UZAKYAXGIKEXPK-CQSZACIVSA-N 1 1 357.414 2.275 20 5 FEBDMO Cc1nn(CCC(=O)NCCCNc2ccc(C)c[nH+]2)c(C)c1[N+](=O)[O-] ZINC000172399226 327199741 /nfs/dbraw/zinc/19/97/41/327199741.db2.gz RMJNRAWXDKXRFU-UHFFFAOYSA-N 1 1 360.418 2.120 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000173021564 327230947 /nfs/dbraw/zinc/23/09/47/327230947.db2.gz FFLKVPYBBRWGCG-UHFFFAOYSA-N 1 1 368.397 2.496 20 5 FEBDMO O=C(NCCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000173031333 327231351 /nfs/dbraw/zinc/23/13/51/327231351.db2.gz RBTJTZHISKPVMA-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO CCC(CC)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000173207054 327241139 /nfs/dbraw/zinc/24/11/39/327241139.db2.gz OQVOCKNPSZPJNG-SFHVURJKSA-N 1 1 363.458 2.391 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000173463224 327259092 /nfs/dbraw/zinc/25/90/92/327259092.db2.gz AJTNTCGIBREMBA-AWEZNQCLSA-N 1 1 356.382 2.447 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000173525023 327263515 /nfs/dbraw/zinc/26/35/15/327263515.db2.gz NWOFYSTWHPXPOL-CQSZACIVSA-N 1 1 371.441 2.373 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000173593056 327269535 /nfs/dbraw/zinc/26/95/35/327269535.db2.gz DLBNYJTYVBZROL-AWEZNQCLSA-N 1 1 359.430 2.127 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000173666567 327275092 /nfs/dbraw/zinc/27/50/92/327275092.db2.gz UGEWDTJAHWJUJW-CQSZACIVSA-N 1 1 355.460 2.398 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000173818593 327286341 /nfs/dbraw/zinc/28/63/41/327286341.db2.gz XJADFVUOMKVAQP-CYBMUJFWSA-N 1 1 365.430 2.416 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173865667 327289929 /nfs/dbraw/zinc/28/99/29/327289929.db2.gz DZVWFSIMLZPGIG-HNNXBMFYSA-N 1 1 367.471 2.446 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000174027672 327302331 /nfs/dbraw/zinc/30/23/31/327302331.db2.gz FEEFKGJUPBBJKR-NSHDSACASA-N 1 1 361.851 2.211 20 5 FEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000174299612 327318258 /nfs/dbraw/zinc/31/82/58/327318258.db2.gz WOJZADUSWAXTLB-ZIAGYGMSSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000174299612 327318260 /nfs/dbraw/zinc/31/82/60/327318260.db2.gz WOJZADUSWAXTLB-ZIAGYGMSSA-N 1 1 363.458 2.419 20 5 FEBDMO C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174743248 327347791 /nfs/dbraw/zinc/34/77/91/327347791.db2.gz FASLVGGUMFLVFH-HNNXBMFYSA-N 1 1 368.821 2.207 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000175130882 327375942 /nfs/dbraw/zinc/37/59/42/327375942.db2.gz ZZGGNBJNVKALFN-ZIAGYGMSSA-N 1 1 355.460 2.315 20 5 FEBDMO COC1CCC([N@@H+](C)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000265181888 329099626 /nfs/dbraw/zinc/09/96/26/329099626.db2.gz DXRPOGGJVDGIPI-UHFFFAOYSA-N 1 1 365.386 2.151 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265294711 329111436 /nfs/dbraw/zinc/11/14/36/329111436.db2.gz NGEPJGIIRBAJKD-HZPDHXFCSA-N 1 1 356.382 2.205 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000265920595 329172776 /nfs/dbraw/zinc/17/27/76/329172776.db2.gz CBNLUQDSGDXNQL-WFASDCNBSA-N 1 1 353.394 2.301 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000266318897 329211071 /nfs/dbraw/zinc/21/10/71/329211071.db2.gz RWIOOOCTOZBVFN-ZDUSSCGKSA-N 1 1 363.414 2.170 20 5 FEBDMO C[N@@H+](CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000266796134 329260729 /nfs/dbraw/zinc/26/07/29/329260729.db2.gz IGEMLZMLNROJTG-UHFFFAOYSA-N 1 1 362.430 2.242 20 5 FEBDMO C[C@@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000275530324 330060058 /nfs/dbraw/zinc/06/00/58/330060058.db2.gz FQGIZTSLVSSOKO-CQSZACIVSA-N 1 1 363.458 2.176 20 5 FEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276279730 330136693 /nfs/dbraw/zinc/13/66/93/330136693.db2.gz FEEBDVTYOVILLX-PKOBYXMFSA-N 1 1 372.425 2.123 20 5 FEBDMO CN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286416922 330183049 /nfs/dbraw/zinc/18/30/49/330183049.db2.gz PNHKAAXWDXOKDJ-ZACCUICWSA-N 1 1 359.473 2.121 20 5 FEBDMO CN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286416922 330183050 /nfs/dbraw/zinc/18/30/50/330183050.db2.gz PNHKAAXWDXOKDJ-ZACCUICWSA-N 1 1 359.473 2.121 20 5 FEBDMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000367267274 330238350 /nfs/dbraw/zinc/23/83/50/330238350.db2.gz OJKVLKKTFYATBY-UHFFFAOYSA-N 1 1 366.437 2.156 20 5 FEBDMO CC(C)(C)NC(=O)C[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000367267274 330238352 /nfs/dbraw/zinc/23/83/52/330238352.db2.gz OJKVLKKTFYATBY-UHFFFAOYSA-N 1 1 366.437 2.156 20 5 FEBDMO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440840964 330276414 /nfs/dbraw/zinc/27/64/14/330276414.db2.gz CGQDLTAJVRDALB-XCBNKYQSSA-N 1 1 368.242 2.178 20 5 FEBDMO COc1ccc(-c2ccc(C[NH2+]CC(=O)NCC3CC3)o2)c([N+](=O)[O-])c1 ZINC000478271518 561163402 /nfs/dbraw/zinc/16/34/02/561163402.db2.gz DKYYOBADZWJMHB-UHFFFAOYSA-N 1 1 359.382 2.479 20 5 FEBDMO COc1cc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000159973457 545995789 /nfs/dbraw/zinc/99/57/89/545995789.db2.gz PNVQJZKRCQJHEV-UHFFFAOYSA-N 1 1 365.430 2.034 20 5 FEBDMO Cc1cc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000175980662 546383932 /nfs/dbraw/zinc/38/39/32/546383932.db2.gz GPEIUQVBJPHYRB-QGZVFWFLSA-N 1 1 360.458 2.145 20 5 FEBDMO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1c(F)cccc1F ZINC000176191420 546418127 /nfs/dbraw/zinc/41/81/27/546418127.db2.gz FYIAGCJMHQTMEZ-UHFFFAOYSA-N 1 1 353.329 2.030 20 5 FEBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1c(F)cccc1F ZINC000176191420 546418129 /nfs/dbraw/zinc/41/81/29/546418129.db2.gz FYIAGCJMHQTMEZ-UHFFFAOYSA-N 1 1 353.329 2.030 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)Nc1ccccc1 ZINC000176205651 546419362 /nfs/dbraw/zinc/41/93/62/546419362.db2.gz MGPIEJQHLAOPBM-MRXNPFEDSA-N 1 1 372.429 2.468 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000176724753 546481082 /nfs/dbraw/zinc/48/10/82/546481082.db2.gz DWMDVDRXJIJNSH-UKRRQHHQSA-N 1 1 364.446 2.044 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000176917427 546507969 /nfs/dbraw/zinc/50/79/69/546507969.db2.gz PISXALCERDFLDP-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000176917427 546507976 /nfs/dbraw/zinc/50/79/76/546507976.db2.gz PISXALCERDFLDP-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[N@H+]1C1CC1 ZINC000177095933 546543918 /nfs/dbraw/zinc/54/39/18/546543918.db2.gz KUSLEMWKRRGWPP-QWHCGFSZSA-N 1 1 355.398 2.136 20 5 FEBDMO CC(C)C[C@@H](CO)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000481402500 561232117 /nfs/dbraw/zinc/23/21/17/561232117.db2.gz JWVFJHFYUNRVCP-AWEZNQCLSA-N 1 1 351.403 2.232 20 5 FEBDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000178832435 546858090 /nfs/dbraw/zinc/85/80/90/546858090.db2.gz ROSBQCGVAXIMGI-UHFFFAOYSA-N 1 1 365.430 2.492 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000481977387 561246547 /nfs/dbraw/zinc/24/65/47/561246547.db2.gz NMDUINNDRMGWLN-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000180541871 547127135 /nfs/dbraw/zinc/12/71/35/547127135.db2.gz FXZNDFROLNPHNC-UHFFFAOYSA-N 1 1 361.446 2.300 20 5 FEBDMO C[C@H]1C[NH+](Cc2ccccc2CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C[C@H](C)O1 ZINC000483116925 561267903 /nfs/dbraw/zinc/26/79/03/561267903.db2.gz GJWUZAIZPKSFCP-KBPBESRZSA-N 1 1 372.425 2.462 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000182429393 547491899 /nfs/dbraw/zinc/49/18/99/547491899.db2.gz QWPIXGVQNSCUTR-CZUORRHYSA-N 1 1 362.430 2.229 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CC1 ZINC000484074540 561290999 /nfs/dbraw/zinc/29/09/99/561290999.db2.gz URGCPDTXBDASEJ-UHFFFAOYSA-N 1 1 353.444 2.157 20 5 FEBDMO C[C@@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183297893 547635059 /nfs/dbraw/zinc/63/50/59/547635059.db2.gz AVBPKGKVVHBGRD-LBPRGKRZSA-N 1 1 359.423 2.277 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000183779421 547718372 /nfs/dbraw/zinc/71/83/72/547718372.db2.gz XAJCZWGBDXGEGM-SFHVURJKSA-N 1 1 355.394 2.091 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000183933737 547741347 /nfs/dbraw/zinc/74/13/47/547741347.db2.gz HAIXXJXUZXFXHS-GFCCVEGCSA-N 1 1 369.853 2.396 20 5 FEBDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000184004379 547752812 /nfs/dbraw/zinc/75/28/12/547752812.db2.gz PAIDQOXCCUBJBO-INIZCTEOSA-N 1 1 356.426 2.357 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184224142 547790280 /nfs/dbraw/zinc/79/02/80/547790280.db2.gz PRKRVNUGLXEPKJ-AWEZNQCLSA-N 1 1 353.394 2.039 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184224142 547790283 /nfs/dbraw/zinc/79/02/83/547790283.db2.gz PRKRVNUGLXEPKJ-AWEZNQCLSA-N 1 1 353.394 2.039 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184482944 547834886 /nfs/dbraw/zinc/83/48/86/547834886.db2.gz DDVLJOKMLDPCAW-OAHLLOKOSA-N 1 1 355.460 2.279 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000185979840 548068182 /nfs/dbraw/zinc/06/81/82/548068182.db2.gz UEOKFGGWHNJVHS-CXAGYDPISA-N 1 1 365.455 2.232 20 5 FEBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186138177 548090581 /nfs/dbraw/zinc/09/05/81/548090581.db2.gz QYYPJUCYCHQGDG-KRWDZBQOSA-N 1 1 359.430 2.064 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CCO)CC1CCCCC1 ZINC000485877528 561330781 /nfs/dbraw/zinc/33/07/81/561330781.db2.gz SDXMAUVAKKVSPG-MRXNPFEDSA-N 1 1 352.431 2.209 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1SC ZINC000186757530 548186779 /nfs/dbraw/zinc/18/67/79/548186779.db2.gz OYVWYDVVGRZVOO-UHFFFAOYSA-N 1 1 353.444 2.492 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000186762036 548187789 /nfs/dbraw/zinc/18/77/89/548187789.db2.gz APTRKRGOPUDCAN-UHFFFAOYSA-N 1 1 360.458 2.364 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194741267 548524588 /nfs/dbraw/zinc/52/45/88/548524588.db2.gz DJQSBWQILFWKBD-CQSZACIVSA-N 1 1 357.414 2.132 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000194961511 548556088 /nfs/dbraw/zinc/55/60/88/548556088.db2.gz LMUZBNSJNSZMCJ-SJORKVTESA-N 1 1 369.421 2.268 20 5 FEBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245430324 548916850 /nfs/dbraw/zinc/91/68/50/548916850.db2.gz NMSOJASXCMJENR-GDBMZVCRSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245430324 548916854 /nfs/dbraw/zinc/91/68/54/548916854.db2.gz NMSOJASXCMJENR-GDBMZVCRSA-N 1 1 356.444 2.261 20 5 FEBDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000245545400 548943534 /nfs/dbraw/zinc/94/35/34/548943534.db2.gz CIBAGQLKNJUDSS-ROUUACIJSA-N 1 1 370.409 2.352 20 5 FEBDMO CCOc1ccc(NC(=O)CN2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488057187 561382418 /nfs/dbraw/zinc/38/24/18/561382418.db2.gz VWZUXTRTONWVFL-QGZVFWFLSA-N 1 1 364.446 2.204 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246115742 549055745 /nfs/dbraw/zinc/05/57/45/549055745.db2.gz IQGROOFXCAQVST-JSGCOSHPSA-N 1 1 355.460 2.254 20 5 FEBDMO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246120023 549056678 /nfs/dbraw/zinc/05/66/78/549056678.db2.gz HCAMGNZYHHQBIW-GOEBONIOSA-N 1 1 369.425 2.181 20 5 FEBDMO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246120023 549056680 /nfs/dbraw/zinc/05/66/80/549056680.db2.gz HCAMGNZYHHQBIW-GOEBONIOSA-N 1 1 369.425 2.181 20 5 FEBDMO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1[N+](=O)[O-] ZINC000246198195 549075890 /nfs/dbraw/zinc/07/58/90/549075890.db2.gz NDFKZJGFDVVUBT-GXTWGEPZSA-N 1 1 350.419 2.333 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000246215674 549080885 /nfs/dbraw/zinc/08/08/85/549080885.db2.gz POTRJMKWTZFGRQ-STQMWFEESA-N 1 1 373.862 2.496 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000246516288 549151052 /nfs/dbraw/zinc/15/10/52/549151052.db2.gz UKIXOOXWDATOOZ-BBRMVZONSA-N 1 1 364.446 2.475 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000246814658 549219593 /nfs/dbraw/zinc/21/95/93/549219593.db2.gz SDHFRMUZMVPBTJ-IIDMSEBBSA-N 1 1 361.442 2.238 20 5 FEBDMO CC[C@H]1CN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC[N@H+]1C[C@H](C)O ZINC000246957608 549251692 /nfs/dbraw/zinc/25/16/92/549251692.db2.gz IKQVSAVFXJFUAI-ZFWWWQNUSA-N 1 1 350.419 2.212 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248870083 549518137 /nfs/dbraw/zinc/51/81/37/549518137.db2.gz ZUBUMFYEDPLAFY-DABQJJPHSA-N 1 1 351.403 2.166 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000249181785 549565955 /nfs/dbraw/zinc/56/59/55/549565955.db2.gz NILABHXGIIGGQW-ZFWWWQNUSA-N 1 1 362.430 2.030 20 5 FEBDMO C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccc([N+](=O)[O-])cc1F ZINC000249383883 549586117 /nfs/dbraw/zinc/58/61/17/549586117.db2.gz PKWSAYDSQYPTGG-CHWSQXEVSA-N 1 1 367.421 2.141 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000250706847 549643642 /nfs/dbraw/zinc/64/36/42/549643642.db2.gz ZTYJAKLJENDVCX-TZMCWYRMSA-N 1 1 362.430 2.078 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@H](c2ccccc2)C1 ZINC000490043138 561425102 /nfs/dbraw/zinc/42/51/02/561425102.db2.gz YKDBPMXJJLFHOU-GJZGRUSLSA-N 1 1 369.377 2.151 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261671887 549741529 /nfs/dbraw/zinc/74/15/29/549741529.db2.gz JDOGWOCZDUEHRX-HNNXBMFYSA-N 1 1 365.386 2.069 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000490543295 561435009 /nfs/dbraw/zinc/43/50/09/561435009.db2.gz ZWRUIRGJNZWKOG-GOSISDBHSA-N 1 1 357.414 2.113 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCS[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000268975591 550139905 /nfs/dbraw/zinc/13/99/05/550139905.db2.gz OVKSCCFOZSRNIN-XJKSGUPXSA-N 1 1 354.428 2.189 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269610816 550210733 /nfs/dbraw/zinc/21/07/33/550210733.db2.gz AYLVWDVGJMQUOX-KGLIPLIRSA-N 1 1 367.413 2.304 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269610816 550210735 /nfs/dbraw/zinc/21/07/35/550210735.db2.gz AYLVWDVGJMQUOX-KGLIPLIRSA-N 1 1 367.413 2.304 20 5 FEBDMO CCN1CC[NH+](CCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000270966774 550326493 /nfs/dbraw/zinc/32/64/93/550326493.db2.gz SKAWYBMPTVVPEP-UHFFFAOYSA-N 1 1 360.458 2.113 20 5 FEBDMO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000272509797 550454854 /nfs/dbraw/zinc/45/48/54/550454854.db2.gz JWZZWXONMAGKDV-CXAGYDPISA-N 1 1 365.430 2.167 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000272509797 550454856 /nfs/dbraw/zinc/45/48/56/550454856.db2.gz JWZZWXONMAGKDV-CXAGYDPISA-N 1 1 365.430 2.167 20 5 FEBDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521067 550455353 /nfs/dbraw/zinc/45/53/53/550455353.db2.gz PXHNNOONLFWLMO-STQMWFEESA-N 1 1 353.423 2.026 20 5 FEBDMO Cn1ccnc1[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272566945 550458060 /nfs/dbraw/zinc/45/80/60/550458060.db2.gz VFXFBHPWSVTLHS-KDOFPFPSSA-N 1 1 355.442 2.492 20 5 FEBDMO COCC[N@@H+](Cc1ccco1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272965100 550478523 /nfs/dbraw/zinc/47/85/23/550478523.db2.gz AMECQRKQHMPALL-AWEZNQCLSA-N 1 1 350.371 2.076 20 5 FEBDMO COCC[N@H+](Cc1ccco1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272965100 550478524 /nfs/dbraw/zinc/47/85/24/550478524.db2.gz AMECQRKQHMPALL-AWEZNQCLSA-N 1 1 350.371 2.076 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c([N+](=O)[O-])c1 ZINC000273034357 550481720 /nfs/dbraw/zinc/48/17/20/550481720.db2.gz COUUBBKXGHGRIG-AWEZNQCLSA-N 1 1 366.414 2.457 20 5 FEBDMO Cn1cc([C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]2CO)cn1 ZINC000277645526 550696325 /nfs/dbraw/zinc/69/63/25/550696325.db2.gz CNROGBSZVOCGHQ-ZFWWWQNUSA-N 1 1 350.806 2.190 20 5 FEBDMO C[C@@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000277754040 550710246 /nfs/dbraw/zinc/71/02/46/550710246.db2.gz RTRQPFSODYBJMU-HUUCEWRRSA-N 1 1 364.446 2.456 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278510518 550793687 /nfs/dbraw/zinc/79/36/87/550793687.db2.gz YCOLBMPTHCBCME-OAHLLOKOSA-N 1 1 359.474 2.169 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@](C)(O)CC1 ZINC000279852352 550936135 /nfs/dbraw/zinc/93/61/35/550936135.db2.gz BCFXQMUOIWTRET-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000281162519 551069467 /nfs/dbraw/zinc/06/94/67/551069467.db2.gz PVVAQBATKVNGRD-QFYYESIMSA-N 1 1 368.821 2.033 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000281162519 551069468 /nfs/dbraw/zinc/06/94/68/551069468.db2.gz PVVAQBATKVNGRD-QFYYESIMSA-N 1 1 368.821 2.033 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000281600597 551118955 /nfs/dbraw/zinc/11/89/55/551118955.db2.gz FTRPGBBTMIOFJS-IBGZPJMESA-N 1 1 371.393 2.102 20 5 FEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000281901126 551155211 /nfs/dbraw/zinc/15/52/11/551155211.db2.gz AGFOXUDBLMSZNE-PIGZYNQJSA-N 1 1 350.371 2.092 20 5 FEBDMO Nc1ccc([N+](=O)[O-])c(NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000282112377 551182021 /nfs/dbraw/zinc/18/20/21/551182021.db2.gz AHQWXAQGZQXEOA-UHFFFAOYSA-N 1 1 356.430 2.196 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000282313161 551210320 /nfs/dbraw/zinc/21/03/20/551210320.db2.gz RVZPXQWCSGJSKF-UHFFFAOYSA-N 1 1 363.462 2.359 20 5 FEBDMO Cc1cc(=O)n2nc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)sc2n1 ZINC000282407841 551224659 /nfs/dbraw/zinc/22/46/59/551224659.db2.gz IICVAYSLCIVWTL-UHFFFAOYSA-N 1 1 359.411 2.042 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000497534967 561503380 /nfs/dbraw/zinc/50/33/80/561503380.db2.gz SASZUIDKXRUEHR-UHFFFAOYSA-N 1 1 352.416 2.030 20 5 FEBDMO CS(=O)(=O)c1cccc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000497554943 561503790 /nfs/dbraw/zinc/50/37/90/561503790.db2.gz NWCJRJWYBWAOQD-GFCCVEGCSA-N 1 1 353.444 2.427 20 5 FEBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000283474315 551372300 /nfs/dbraw/zinc/37/23/00/551372300.db2.gz IROWXUGLEAELJC-OAHLLOKOSA-N 1 1 357.414 2.348 20 5 FEBDMO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000283474315 551372302 /nfs/dbraw/zinc/37/23/02/551372302.db2.gz IROWXUGLEAELJC-OAHLLOKOSA-N 1 1 357.414 2.348 20 5 FEBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000283474315 551372304 /nfs/dbraw/zinc/37/23/04/551372304.db2.gz IROWXUGLEAELJC-OAHLLOKOSA-N 1 1 357.414 2.348 20 5 FEBDMO O=C(c1c[nH]c2cc([N+](=O)[O-])ccc12)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000283502762 551377822 /nfs/dbraw/zinc/37/78/22/551377822.db2.gz KLXVRUWULNNFPT-CQSZACIVSA-N 1 1 372.425 2.261 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000498313866 561521795 /nfs/dbraw/zinc/52/17/95/561521795.db2.gz ZXWYXNXHWYXKOG-GJZGRUSLSA-N 1 1 361.446 2.267 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C[C@@H]1C ZINC000498552940 561528025 /nfs/dbraw/zinc/52/80/25/561528025.db2.gz DGIFDMQJZGQNJY-STQMWFEESA-N 1 1 372.429 2.039 20 5 FEBDMO CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000498919662 561537922 /nfs/dbraw/zinc/53/79/22/561537922.db2.gz WCQYKRAVSPPASE-HNNXBMFYSA-N 1 1 369.425 2.232 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000498954769 561539314 /nfs/dbraw/zinc/53/93/14/561539314.db2.gz DCGLGYAXKIAQSN-MLGOLLRUSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000498954769 561539315 /nfs/dbraw/zinc/53/93/15/561539315.db2.gz DCGLGYAXKIAQSN-MLGOLLRUSA-N 1 1 351.403 2.025 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285713943 551799936 /nfs/dbraw/zinc/79/99/36/551799936.db2.gz SMPYOMPPSDCSMC-UHFFFAOYSA-N 1 1 356.417 2.331 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285713943 551799937 /nfs/dbraw/zinc/79/99/37/551799937.db2.gz SMPYOMPPSDCSMC-UHFFFAOYSA-N 1 1 356.417 2.331 20 5 FEBDMO Cn1nccc1C1=CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000285763317 551807009 /nfs/dbraw/zinc/80/70/09/551807009.db2.gz XJTIRBZXYAKROU-UHFFFAOYSA-N 1 1 355.398 2.446 20 5 FEBDMO Cn1nccc1[C@H]1[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CC(=O)N1C ZINC000499975361 561563354 /nfs/dbraw/zinc/56/33/54/561563354.db2.gz GYNSZCNKFIJKOY-MLGOLLRUSA-N 1 1 363.805 2.043 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000500437226 561572902 /nfs/dbraw/zinc/57/29/02/561572902.db2.gz PDLCETHDJVBZMS-HZPDHXFCSA-N 1 1 371.441 2.303 20 5 FEBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000289699911 552363971 /nfs/dbraw/zinc/36/39/71/552363971.db2.gz OGNZFTXQZQZBCK-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000289699911 552363973 /nfs/dbraw/zinc/36/39/73/552363973.db2.gz OGNZFTXQZQZBCK-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000289912040 552398670 /nfs/dbraw/zinc/39/86/70/552398670.db2.gz AMTBFLZARIEXKK-CYBMUJFWSA-N 1 1 350.419 2.078 20 5 FEBDMO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000500783281 561582347 /nfs/dbraw/zinc/58/23/47/561582347.db2.gz ZSMYBOHIIPJRAK-UHFFFAOYSA-N 1 1 368.397 2.070 20 5 FEBDMO CCc1n[nH]c(C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1[N+](=O)[O-] ZINC000290418583 552476294 /nfs/dbraw/zinc/47/62/94/552476294.db2.gz APUMHYHCMRMGBC-UHFFFAOYSA-N 1 1 358.402 2.114 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1cc(F)c(Br)cc1[N+](=O)[O-])C1CC1 ZINC000290794627 552539293 /nfs/dbraw/zinc/53/92/93/552539293.db2.gz OUEKQQGRYZPZQE-VIFPVBQESA-N 1 1 363.183 2.330 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808864 552541827 /nfs/dbraw/zinc/54/18/27/552541827.db2.gz QXUROIIBLIMMFF-BBRMVZONSA-N 1 1 369.425 2.411 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000290823816 552544429 /nfs/dbraw/zinc/54/44/29/552544429.db2.gz OYVOPIVAAWLSBN-PBHICJAKSA-N 1 1 374.441 2.038 20 5 FEBDMO CC(C)NS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290931244 552564246 /nfs/dbraw/zinc/56/42/46/552564246.db2.gz RYPWREIKKIIULX-UHFFFAOYSA-N 1 1 370.258 2.319 20 5 FEBDMO NC(=O)c1ccnc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1[N+](=O)[O-] ZINC000291083086 552584867 /nfs/dbraw/zinc/58/48/67/552584867.db2.gz ILAYQDFBMOFCEA-GFCCVEGCSA-N 1 1 370.413 2.006 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000292044684 552687841 /nfs/dbraw/zinc/68/78/41/552687841.db2.gz ZULRDIGVDLUQIT-CQSZACIVSA-N 1 1 351.403 2.431 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](O)Cc1ccccc1 ZINC000293243264 552802769 /nfs/dbraw/zinc/80/27/69/552802769.db2.gz HTZDHGFHQAMEIH-GOSISDBHSA-N 1 1 369.421 2.019 20 5 FEBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@H](O)Cc1ccccc1 ZINC000293243264 552802770 /nfs/dbraw/zinc/80/27/70/552802770.db2.gz HTZDHGFHQAMEIH-GOSISDBHSA-N 1 1 369.421 2.019 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000293455026 552825693 /nfs/dbraw/zinc/82/56/93/552825693.db2.gz QCORRITUDUZMNV-CYBMUJFWSA-N 1 1 374.441 2.175 20 5 FEBDMO Cc1nn([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128309 552884044 /nfs/dbraw/zinc/88/40/44/552884044.db2.gz FGKPFKIRRLLXEF-ZBFHGGJFSA-N 1 1 357.414 2.051 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c2)CCO1 ZINC000294407934 552903927 /nfs/dbraw/zinc/90/39/27/552903927.db2.gz FBAWWHPBXDVKIN-OAHLLOKOSA-N 1 1 363.458 2.359 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c2)CCO1 ZINC000294407934 552903929 /nfs/dbraw/zinc/90/39/29/552903929.db2.gz FBAWWHPBXDVKIN-OAHLLOKOSA-N 1 1 363.458 2.359 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295368578 552995148 /nfs/dbraw/zinc/99/51/48/552995148.db2.gz PBPZJAQIKHLZGS-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO COc1cc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])cc1F ZINC000295543577 553023575 /nfs/dbraw/zinc/02/35/75/553023575.db2.gz IHNMMHGGQVKRIQ-QGZVFWFLSA-N 1 1 351.378 2.300 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296065062 553098550 /nfs/dbraw/zinc/09/85/50/553098550.db2.gz AYIOFVIUQPXIIO-NSHDSACASA-N 1 1 356.810 2.217 20 5 FEBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297923492 553358148 /nfs/dbraw/zinc/35/81/48/553358148.db2.gz QPKGJAWMTGDPBB-QWHCGFSZSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000297941088 553360449 /nfs/dbraw/zinc/36/04/49/553360449.db2.gz RWVKHNKYKNWPFV-OAHLLOKOSA-N 1 1 374.397 2.162 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000298680621 553458109 /nfs/dbraw/zinc/45/81/09/553458109.db2.gz YZMSXDGKYQECOJ-QGZVFWFLSA-N 1 1 370.409 2.472 20 5 FEBDMO COCCC[N@H+](CCOC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298792885 553473706 /nfs/dbraw/zinc/47/37/06/553473706.db2.gz SPHZXXUMLSLXPZ-UHFFFAOYSA-N 1 1 350.375 2.130 20 5 FEBDMO COCCC[N@@H+](CCOC)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000298792885 553473708 /nfs/dbraw/zinc/47/37/08/553473708.db2.gz SPHZXXUMLSLXPZ-UHFFFAOYSA-N 1 1 350.375 2.130 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000299113062 553516795 /nfs/dbraw/zinc/51/67/95/553516795.db2.gz WUUYXYVDDODTFL-IRXDYDNUSA-N 1 1 355.398 2.137 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000299200892 553529952 /nfs/dbraw/zinc/52/99/52/553529952.db2.gz CWIZSBNPUNRIPL-NEPJUHHUSA-N 1 1 359.835 2.153 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000299204609 553530649 /nfs/dbraw/zinc/53/06/49/553530649.db2.gz GCTTUZBIIKVMCP-LBPRGKRZSA-N 1 1 374.441 2.093 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299372204 553554361 /nfs/dbraw/zinc/55/43/61/553554361.db2.gz QFQYBAHVOCKCNG-ZDUSSCGKSA-N 1 1 350.419 2.078 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299730188 553608750 /nfs/dbraw/zinc/60/87/50/553608750.db2.gz WQYGJMGVWAPHSQ-ZIAGYGMSSA-N 1 1 362.430 2.091 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(c3ccc(I)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000302844911 553735924 /nfs/dbraw/zinc/73/59/24/553735924.db2.gz FXYODMRHYFXBPQ-AOOOYVTPSA-N 1 1 373.194 2.197 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CCC3CCCC3)CC2)c1 ZINC000303917759 553747152 /nfs/dbraw/zinc/74/71/52/553747152.db2.gz OAMJWYTVWCJBPD-UHFFFAOYSA-N 1 1 367.471 2.481 20 5 FEBDMO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000506245780 561693814 /nfs/dbraw/zinc/69/38/14/561693814.db2.gz APUIAXZNJQUHEQ-AWEZNQCLSA-N 1 1 361.398 2.117 20 5 FEBDMO COC(=O)c1cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000508344542 561759588 /nfs/dbraw/zinc/75/95/88/561759588.db2.gz RHHLESJHIAMAIY-OLZOCXBDSA-N 1 1 363.414 2.232 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000331449501 554266090 /nfs/dbraw/zinc/26/60/90/554266090.db2.gz YVKVECFVVWRHLK-NSHDSACASA-N 1 1 368.231 2.253 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C ZINC000332056202 554371263 /nfs/dbraw/zinc/37/12/63/554371263.db2.gz OSYDOFVUMZKWRX-KBPBESRZSA-N 1 1 362.430 2.307 20 5 FEBDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000332070979 554374256 /nfs/dbraw/zinc/37/42/56/554374256.db2.gz WNVMIEFRABIILV-VNHYZAJKSA-N 1 1 363.414 2.374 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000332225116 554404477 /nfs/dbraw/zinc/40/44/77/554404477.db2.gz BOTOTGFWLHIZTD-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)cc1[N+](=O)[O-] ZINC000332253158 554410346 /nfs/dbraw/zinc/41/03/46/554410346.db2.gz MILHXGSESGUVKZ-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO COc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332332444 554427241 /nfs/dbraw/zinc/42/72/41/554427241.db2.gz CCCHEOCJGHHSJH-OAHLLOKOSA-N 1 1 362.474 2.204 20 5 FEBDMO COc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000332332444 554427244 /nfs/dbraw/zinc/42/72/44/554427244.db2.gz CCCHEOCJGHHSJH-OAHLLOKOSA-N 1 1 362.474 2.204 20 5 FEBDMO COc1ccc(CN2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332332443 554427390 /nfs/dbraw/zinc/42/73/90/554427390.db2.gz CCCHEOCJGHHSJH-HNNXBMFYSA-N 1 1 362.474 2.204 20 5 FEBDMO COc1ccc(CN2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000332332443 554427394 /nfs/dbraw/zinc/42/73/94/554427394.db2.gz CCCHEOCJGHHSJH-HNNXBMFYSA-N 1 1 362.474 2.204 20 5 FEBDMO COc1ccc(NC(=O)CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000332472571 554452631 /nfs/dbraw/zinc/45/26/31/554452631.db2.gz KLDDFOQOLJVKQF-UONOGXRCSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccccc1CNC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511127658 561858329 /nfs/dbraw/zinc/85/83/29/561858329.db2.gz VCLDYGJLGIKVBN-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO COc1ccccc1CNC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511127658 561858330 /nfs/dbraw/zinc/85/83/30/561858330.db2.gz VCLDYGJLGIKVBN-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO C[C@]12CCC[N@@H+]1C[C@H](c1noc(COc3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000350350419 554781819 /nfs/dbraw/zinc/78/18/19/554781819.db2.gz ILIFYXJQOCWFMP-RHSMWYFYSA-N 1 1 360.370 2.483 20 5 FEBDMO C[C@]12CCC[N@H+]1C[C@H](c1noc(COc3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000350350419 554781820 /nfs/dbraw/zinc/78/18/20/554781820.db2.gz ILIFYXJQOCWFMP-RHSMWYFYSA-N 1 1 360.370 2.483 20 5 FEBDMO CNc1nc(-c2nc([C@H]3C[N@H+]4CCC[C@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000351124815 554838619 /nfs/dbraw/zinc/83/86/19/554838619.db2.gz QFFBLLPODDAQQA-MLGOLLRUSA-N 1 1 360.374 2.007 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+]([C@@H]4CCOC4)CC3)co2)cc1 ZINC000362031530 554945554 /nfs/dbraw/zinc/94/55/54/554945554.db2.gz BNVMSUHQBVXAAT-QGZVFWFLSA-N 1 1 358.398 2.156 20 5 FEBDMO Cc1c(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290416 554961082 /nfs/dbraw/zinc/96/10/82/554961082.db2.gz RODBERZZWFBKRK-WFASDCNBSA-N 1 1 362.386 2.286 20 5 FEBDMO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363118321 555033996 /nfs/dbraw/zinc/03/39/96/555033996.db2.gz WKSIVGKUUODFLQ-ITDIGPHOSA-N 1 1 351.353 2.429 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000363347522 555082645 /nfs/dbraw/zinc/08/26/45/555082645.db2.gz ISXFGHCWRPPBMA-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000363347522 555082646 /nfs/dbraw/zinc/08/26/46/555082646.db2.gz ISXFGHCWRPPBMA-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424294 555102142 /nfs/dbraw/zinc/10/21/42/555102142.db2.gz QIXYMACANZTIAS-OLMNPRSZSA-N 1 1 361.442 2.143 20 5 FEBDMO [NH3+][C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1c1ccc(F)cc1 ZINC000363745795 555177556 /nfs/dbraw/zinc/17/75/56/555177556.db2.gz PVUASLGEKNXKJV-LSDHHAIUSA-N 1 1 369.356 2.177 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000364202455 555268756 /nfs/dbraw/zinc/26/87/56/555268756.db2.gz KFTOCEHYLSWBIC-MRXNPFEDSA-N 1 1 365.430 2.358 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000364202455 555268757 /nfs/dbraw/zinc/26/87/57/555268757.db2.gz KFTOCEHYLSWBIC-MRXNPFEDSA-N 1 1 365.430 2.358 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000364253129 555279260 /nfs/dbraw/zinc/27/92/60/555279260.db2.gz DEQYOJVTCOUBAP-UHFFFAOYSA-N 1 1 351.447 2.142 20 5 FEBDMO COC(=O)c1cnc(N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000364504076 555325509 /nfs/dbraw/zinc/32/55/09/555325509.db2.gz FOHQOLNZSVXGKH-MRXNPFEDSA-N 1 1 370.409 2.487 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512402572 561903582 /nfs/dbraw/zinc/90/35/82/561903582.db2.gz CRAGXQREIWBCKI-UHFFFAOYSA-N 1 1 357.414 2.398 20 5 FEBDMO CC(C)c1[nH]nc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512402572 561903583 /nfs/dbraw/zinc/90/35/83/561903583.db2.gz CRAGXQREIWBCKI-UHFFFAOYSA-N 1 1 357.414 2.398 20 5 FEBDMO CC(C)c1[nH]nc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000512402572 561903584 /nfs/dbraw/zinc/90/35/84/561903584.db2.gz CRAGXQREIWBCKI-UHFFFAOYSA-N 1 1 357.414 2.398 20 5 FEBDMO O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000364594842 555347673 /nfs/dbraw/zinc/34/76/73/555347673.db2.gz JHOTZYJVBHVWDJ-HSVJCBRXSA-N 1 1 365.817 2.241 20 5 FEBDMO O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000364594842 555347677 /nfs/dbraw/zinc/34/76/77/555347677.db2.gz JHOTZYJVBHVWDJ-HSVJCBRXSA-N 1 1 365.817 2.241 20 5 FEBDMO C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CC(c3ccccc3[N+](=O)[O-])=NO1)CC2 ZINC000364675322 555371076 /nfs/dbraw/zinc/37/10/76/555371076.db2.gz LUAUAFOZRZAHFG-KRWDZBQOSA-N 1 1 372.425 2.175 20 5 FEBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365546341 555605452 /nfs/dbraw/zinc/60/54/52/555605452.db2.gz KZZKIEKOBFMIGS-HZUKXOBISA-N 1 1 355.398 2.027 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365546341 555605453 /nfs/dbraw/zinc/60/54/53/555605453.db2.gz KZZKIEKOBFMIGS-HZUKXOBISA-N 1 1 355.398 2.027 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365546341 555605456 /nfs/dbraw/zinc/60/54/56/555605456.db2.gz KZZKIEKOBFMIGS-HZUKXOBISA-N 1 1 355.398 2.027 20 5 FEBDMO C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365824160 555676024 /nfs/dbraw/zinc/67/60/24/555676024.db2.gz YQPJSBFGPSXRHI-LBPRGKRZSA-N 1 1 363.443 2.195 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)c1ccc([N+](=O)[O-])cn1 ZINC000366197444 555778709 /nfs/dbraw/zinc/77/87/09/555778709.db2.gz SIWFSVVHHIZCEF-HNNXBMFYSA-N 1 1 355.398 2.027 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000366550738 555874212 /nfs/dbraw/zinc/87/42/12/555874212.db2.gz GOTPVQSZXDLRHX-KBPBESRZSA-N 1 1 365.434 2.123 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000366550739 555874310 /nfs/dbraw/zinc/87/43/10/555874310.db2.gz GOTPVQSZXDLRHX-KGLIPLIRSA-N 1 1 365.434 2.123 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000366634633 555895953 /nfs/dbraw/zinc/89/59/53/555895953.db2.gz PPLQOHDHSHTRCN-UHFFFAOYSA-N 1 1 361.402 2.003 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000366634633 555895956 /nfs/dbraw/zinc/89/59/56/555895956.db2.gz PPLQOHDHSHTRCN-UHFFFAOYSA-N 1 1 361.402 2.003 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000366824197 555944212 /nfs/dbraw/zinc/94/42/12/555944212.db2.gz OSVBRPYAQTVIOZ-OAHLLOKOSA-N 1 1 356.430 2.458 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc([N+](=O)[O-])cn2C)cc1F ZINC000514580770 561967559 /nfs/dbraw/zinc/96/75/59/561967559.db2.gz RFOHYEFWJSLSMV-UHFFFAOYSA-N 1 1 357.345 2.497 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+]C[C@H]1C(F)F ZINC000367283596 556007460 /nfs/dbraw/zinc/00/74/60/556007460.db2.gz XIHXRZWPTMIXKB-JTQLQIEISA-N 1 1 364.146 2.036 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCOc2ccccc2[N+](=O)[O-])O1 ZINC000368480059 556322276 /nfs/dbraw/zinc/32/22/76/556322276.db2.gz YXPWQFYWQLWURC-IRWJRLHMSA-N 1 1 364.398 2.157 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCOc2ccccc2[N+](=O)[O-])O1 ZINC000368480059 556322277 /nfs/dbraw/zinc/32/22/77/556322277.db2.gz YXPWQFYWQLWURC-IRWJRLHMSA-N 1 1 364.398 2.157 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368592280 556356520 /nfs/dbraw/zinc/35/65/20/556356520.db2.gz QATIYLXMLZWSTO-RDTXWAMCSA-N 1 1 358.442 2.361 20 5 FEBDMO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369007040 556474068 /nfs/dbraw/zinc/47/40/68/556474068.db2.gz BTSFNULYDLNHKA-DOTOQJQBSA-N 1 1 360.414 2.177 20 5 FEBDMO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017831 556477420 /nfs/dbraw/zinc/47/74/20/556477420.db2.gz JBPSBTNQQBFLJH-RDJZCZTQSA-N 1 1 371.441 2.475 20 5 FEBDMO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017831 556477421 /nfs/dbraw/zinc/47/74/21/556477421.db2.gz JBPSBTNQQBFLJH-RDJZCZTQSA-N 1 1 371.441 2.475 20 5 FEBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])n3C)cc2)CC1 ZINC000515815855 562022691 /nfs/dbraw/zinc/02/26/91/562022691.db2.gz ODIANPCBHDHPLI-UHFFFAOYSA-N 1 1 371.441 2.323 20 5 FEBDMO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000369229101 556542426 /nfs/dbraw/zinc/54/24/26/556542426.db2.gz DIOKMESDTWSAMP-ZDUSSCGKSA-N 1 1 356.382 2.159 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274702 556560216 /nfs/dbraw/zinc/56/02/16/556560216.db2.gz RJUCBKMPDJSCMV-ZDUSSCGKSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274702 556560217 /nfs/dbraw/zinc/56/02/17/556560217.db2.gz RJUCBKMPDJSCMV-ZDUSSCGKSA-N 1 1 366.849 2.147 20 5 FEBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370113803 556784650 /nfs/dbraw/zinc/78/46/50/556784650.db2.gz VNBKBVOCHAPSGV-FUHWJXTLSA-N 1 1 373.409 2.191 20 5 FEBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000371127886 557082698 /nfs/dbraw/zinc/08/26/98/557082698.db2.gz JNRRIQNWWNHDCR-HNNXBMFYSA-N 1 1 374.445 2.248 20 5 FEBDMO CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000371284767 557131381 /nfs/dbraw/zinc/13/13/81/557131381.db2.gz UTMBYGBYNAOSHG-HNNXBMFYSA-N 1 1 359.430 2.241 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000371334902 557150984 /nfs/dbraw/zinc/15/09/84/557150984.db2.gz HPMBAZZGAIRSPJ-AWEZNQCLSA-N 1 1 363.462 2.445 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000518103929 562104638 /nfs/dbraw/zinc/10/46/38/562104638.db2.gz MVLWIJPZOVYVGQ-OKILXGFUSA-N 1 1 362.430 2.221 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H](O)Cn2cnc3cc4ccccc4cc3c2=O)C[C@@H](C)O1 ZINC000517802476 562098314 /nfs/dbraw/zinc/09/83/14/562098314.db2.gz BAPQCSUNRZNMRW-IIDMSEBBSA-N 1 1 367.449 2.020 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372157254 557394511 /nfs/dbraw/zinc/39/45/11/557394511.db2.gz RKIIKPKCQNPLNN-IHRRRGAJSA-N 1 1 363.414 2.289 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372156393 557394749 /nfs/dbraw/zinc/39/47/49/557394749.db2.gz KHIOCXUHTLMPFA-KBPBESRZSA-N 1 1 363.414 2.290 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000372296552 557432384 /nfs/dbraw/zinc/43/23/84/557432384.db2.gz RJZZALRXNCJYBN-FUHWJXTLSA-N 1 1 350.415 2.226 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000519563257 562135056 /nfs/dbraw/zinc/13/50/56/562135056.db2.gz APOBMLCBQGTDBM-SHRNQRGKSA-N 1 1 367.471 2.354 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000519563257 562135057 /nfs/dbraw/zinc/13/50/57/562135057.db2.gz APOBMLCBQGTDBM-SHRNQRGKSA-N 1 1 367.471 2.354 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000373081716 557624033 /nfs/dbraw/zinc/62/40/33/557624033.db2.gz SGSRVDHOSSMQBL-KDOFPFPSSA-N 1 1 371.441 2.450 20 5 FEBDMO C[NH+](C)[C@H](C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000373250197 557658498 /nfs/dbraw/zinc/65/84/98/557658498.db2.gz OCCGVHZYZMBZLH-KRWDZBQOSA-N 1 1 357.414 2.258 20 5 FEBDMO CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000520365613 562154438 /nfs/dbraw/zinc/15/44/38/562154438.db2.gz VOQAXTZIKXKXGA-MRXNPFEDSA-N 1 1 369.425 2.304 20 5 FEBDMO Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582809 557722829 /nfs/dbraw/zinc/72/28/29/557722829.db2.gz IAILUYXCMQWSKS-RDJZCZTQSA-N 1 1 360.414 2.177 20 5 FEBDMO C[NH+]1CCC2(CCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000374075276 557819209 /nfs/dbraw/zinc/81/92/09/557819209.db2.gz RQQWFZHLGVWQMX-UHFFFAOYSA-N 1 1 372.469 2.292 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000521047009 562168466 /nfs/dbraw/zinc/16/84/66/562168466.db2.gz GGDRGFPUYGPMHE-UHFFFAOYSA-N 1 1 355.460 2.279 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000374377323 557874865 /nfs/dbraw/zinc/87/48/65/557874865.db2.gz JOYVCPUEYYOSTH-ZDUSSCGKSA-N 1 1 366.393 2.228 20 5 FEBDMO C[C@@H]([C@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000374911553 557950334 /nfs/dbraw/zinc/95/03/34/557950334.db2.gz IZINQOBRGCDAGR-MAUKXSAKSA-N 1 1 373.457 2.050 20 5 FEBDMO C[C@@H]([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000374911553 557950336 /nfs/dbraw/zinc/95/03/36/557950336.db2.gz IZINQOBRGCDAGR-MAUKXSAKSA-N 1 1 373.457 2.050 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000375032742 557967420 /nfs/dbraw/zinc/96/74/20/557967420.db2.gz SVHYDYILPMEYNI-NHYWBVRUSA-N 1 1 352.822 2.213 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000375616550 558057656 /nfs/dbraw/zinc/05/76/56/558057656.db2.gz CFRXNKVMGCLCCW-GOSISDBHSA-N 1 1 363.414 2.113 20 5 FEBDMO COC(=O)c1cc(C)nc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000376216342 558142641 /nfs/dbraw/zinc/14/26/41/558142641.db2.gz ACMPCYRGAFRMCZ-CFVMTHIKSA-N 1 1 360.414 2.005 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])cc2)cn1 ZINC000376614963 558198005 /nfs/dbraw/zinc/19/80/05/558198005.db2.gz CKIOTXSSAJQMHT-UHFFFAOYSA-N 1 1 367.365 2.179 20 5 FEBDMO COc1ccccc1[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000521995810 562188541 /nfs/dbraw/zinc/18/85/41/562188541.db2.gz KLSLXAUWNGHOOP-KDOFPFPSSA-N 1 1 372.381 2.133 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000377216345 558290970 /nfs/dbraw/zinc/29/09/70/558290970.db2.gz TVPKZDVQNAFXPR-HUUCEWRRSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000377216345 558290972 /nfs/dbraw/zinc/29/09/72/558290972.db2.gz TVPKZDVQNAFXPR-HUUCEWRRSA-N 1 1 352.387 2.146 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000377224836 558293036 /nfs/dbraw/zinc/29/30/36/558293036.db2.gz VXKMNYGEORRTEV-KSSFIOAISA-N 1 1 369.425 2.337 20 5 FEBDMO CCC[C@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377497347 558351768 /nfs/dbraw/zinc/35/17/68/558351768.db2.gz WCKPQGBIKRLQJQ-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO CCC[C@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377497347 558351769 /nfs/dbraw/zinc/35/17/69/558351769.db2.gz WCKPQGBIKRLQJQ-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000378491416 558568860 /nfs/dbraw/zinc/56/88/60/558568860.db2.gz FQXNIVYPNDARNQ-ZDUSSCGKSA-N 1 1 372.381 2.387 20 5 FEBDMO COC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCCO1 ZINC000392784295 558619194 /nfs/dbraw/zinc/61/91/94/558619194.db2.gz JVPASFXEBMHILW-OAHLLOKOSA-N 1 1 352.387 2.148 20 5 FEBDMO COC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCCO1 ZINC000392784295 558619196 /nfs/dbraw/zinc/61/91/96/558619196.db2.gz JVPASFXEBMHILW-OAHLLOKOSA-N 1 1 352.387 2.148 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000408063826 558642727 /nfs/dbraw/zinc/64/27/27/558642727.db2.gz XCXVKLSFGRVBCR-KGLIPLIRSA-N 1 1 373.862 2.462 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408067952 558643281 /nfs/dbraw/zinc/64/32/81/558643281.db2.gz GAOYLTUNQVPSRS-HUUCEWRRSA-N 1 1 360.458 2.362 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000408340609 558668788 /nfs/dbraw/zinc/66/87/88/558668788.db2.gz WPCNORUWBFECKS-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000411419319 558891383 /nfs/dbraw/zinc/89/13/83/558891383.db2.gz KGTBGOVRKVXVJK-HIFRSBDPSA-N 1 1 362.430 2.030 20 5 FEBDMO COc1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000525501286 562249433 /nfs/dbraw/zinc/24/94/33/562249433.db2.gz VQIBJVAKBQNQTK-TZMCWYRMSA-N 1 1 363.414 2.311 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000411500653 558906432 /nfs/dbraw/zinc/90/64/32/558906432.db2.gz RXUGDLVDXLJZBW-GFCCVEGCSA-N 1 1 361.402 2.359 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411520413 558909740 /nfs/dbraw/zinc/90/97/40/558909740.db2.gz QFSUOERZGVGVFW-YIONKMFJSA-N 1 1 374.441 2.234 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000411680538 558942617 /nfs/dbraw/zinc/94/26/17/558942617.db2.gz XNXNPHKJPJJODN-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411831443 558972075 /nfs/dbraw/zinc/97/20/75/558972075.db2.gz BGFGUJUKVUVGIX-CYBMUJFWSA-N 1 1 353.444 2.156 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000412033854 559004563 /nfs/dbraw/zinc/00/45/63/559004563.db2.gz JOBVYHVMUQABNZ-CMPLNLGQSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000412033854 559004564 /nfs/dbraw/zinc/00/45/64/559004564.db2.gz JOBVYHVMUQABNZ-CMPLNLGQSA-N 1 1 360.357 2.450 20 5 FEBDMO CN(C(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000412052110 559007144 /nfs/dbraw/zinc/00/71/44/559007144.db2.gz BRBUCTGTAVOOCZ-INIZCTEOSA-N 1 1 374.441 2.035 20 5 FEBDMO CN(C(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000412052110 559007145 /nfs/dbraw/zinc/00/71/45/559007145.db2.gz BRBUCTGTAVOOCZ-INIZCTEOSA-N 1 1 374.441 2.035 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412076056 559010207 /nfs/dbraw/zinc/01/02/07/559010207.db2.gz JJBGLKXNNIHUEU-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000412101901 559013812 /nfs/dbraw/zinc/01/38/12/559013812.db2.gz JSXIMRYJZKJIAG-KRWDZBQOSA-N 1 1 360.370 2.420 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000412101901 559013810 /nfs/dbraw/zinc/01/38/10/559013810.db2.gz JSXIMRYJZKJIAG-KRWDZBQOSA-N 1 1 360.370 2.420 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000412382859 559032217 /nfs/dbraw/zinc/03/22/17/559032217.db2.gz IBHGJDKCUZAVOO-CQSZACIVSA-N 1 1 370.409 2.290 20 5 FEBDMO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@@H+](C)C1 ZINC000413505628 559112665 /nfs/dbraw/zinc/11/26/65/559112665.db2.gz VFNPAVNQAMPKFN-CYBMUJFWSA-N 1 1 365.430 2.313 20 5 FEBDMO CCc1ccc([C@H]([NH2+]C[C@H](O)Cn2ccnn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414172313 559151528 /nfs/dbraw/zinc/15/15/28/559151528.db2.gz DUTLJPUTWHMHDT-MAUKXSAKSA-N 1 1 371.397 2.082 20 5 FEBDMO COC(=O)COc1ccc(CNCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414807344 559188860 /nfs/dbraw/zinc/18/88/60/559188860.db2.gz CRYBURGFPJIMNF-CYBMUJFWSA-N 1 1 373.409 2.456 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000416731572 559330357 /nfs/dbraw/zinc/33/03/57/559330357.db2.gz JRNCBKHYTQAOIB-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@H+]1CCO ZINC000416731572 559330358 /nfs/dbraw/zinc/33/03/58/559330358.db2.gz JRNCBKHYTQAOIB-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO O=C1[C@H](N2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000420333015 559481280 /nfs/dbraw/zinc/48/12/80/559481280.db2.gz HDIXXVNFBKXREM-QZTJIDSGSA-N 1 1 358.442 2.164 20 5 FEBDMO [NH3+]C[C@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420460982 559488650 /nfs/dbraw/zinc/48/86/50/559488650.db2.gz SXNFSXGXCOISLO-IONNQARKSA-N 1 1 368.242 2.307 20 5 FEBDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420925187 559511652 /nfs/dbraw/zinc/51/16/52/559511652.db2.gz LDESIADTFBJDSY-ZIAGYGMSSA-N 1 1 365.430 2.199 20 5 FEBDMO Cc1sccc1C[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421386947 559540915 /nfs/dbraw/zinc/54/09/15/559540915.db2.gz OKXMYZBBLGCPJE-UHFFFAOYSA-N 1 1 369.468 2.375 20 5 FEBDMO Cc1sccc1C[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421386947 559540916 /nfs/dbraw/zinc/54/09/16/559540916.db2.gz OKXMYZBBLGCPJE-UHFFFAOYSA-N 1 1 369.468 2.375 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)cc1[N+](=O)[O-] ZINC000421409988 559541588 /nfs/dbraw/zinc/54/15/88/559541588.db2.gz OEXFFYZAUNINLZ-AWEZNQCLSA-N 1 1 364.398 2.026 20 5 FEBDMO Cc1ccc([C@@H](C)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000423376630 559627228 /nfs/dbraw/zinc/62/72/28/559627228.db2.gz DWPILMOEKAKADS-IUODEOHRSA-N 1 1 360.380 2.390 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000424999630 559682973 /nfs/dbraw/zinc/68/29/73/559682973.db2.gz MAJADBWMDHUISQ-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])CC1 ZINC000425006301 559683207 /nfs/dbraw/zinc/68/32/07/559683207.db2.gz XNLHXUJQWYWFGC-UHFFFAOYSA-N 1 1 367.471 2.256 20 5 FEBDMO COc1c(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428529635 559777283 /nfs/dbraw/zinc/77/72/83/559777283.db2.gz HOOIREVVRXPFPQ-HNNXBMFYSA-N 1 1 371.393 2.422 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000441095431 560023658 /nfs/dbraw/zinc/02/36/58/560023658.db2.gz RCKNDMDICHUVBR-GHMZBOCLSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000441095431 560023659 /nfs/dbraw/zinc/02/36/59/560023659.db2.gz RCKNDMDICHUVBR-GHMZBOCLSA-N 1 1 368.821 2.128 20 5 FEBDMO C[N@H+](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444642759 560117430 /nfs/dbraw/zinc/11/74/30/560117430.db2.gz UHGFSOMLHUVWAS-UHFFFAOYSA-N 1 1 353.382 2.219 20 5 FEBDMO C[N@@H+](CC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cc1ccccc1 ZINC000444642759 560117431 /nfs/dbraw/zinc/11/74/31/560117431.db2.gz UHGFSOMLHUVWAS-UHFFFAOYSA-N 1 1 353.382 2.219 20 5 FEBDMO C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C1CCN(C)CC1 ZINC000447687739 560167211 /nfs/dbraw/zinc/16/72/11/560167211.db2.gz VHYBITCKLUAVCK-ZDUSSCGKSA-N 1 1 358.446 2.076 20 5 FEBDMO C[C@H]1CN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CCN1C1CC[NH+](C)CC1 ZINC000447687739 560167212 /nfs/dbraw/zinc/16/72/12/560167212.db2.gz VHYBITCKLUAVCK-ZDUSSCGKSA-N 1 1 358.446 2.076 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448726840 560196712 /nfs/dbraw/zinc/19/67/12/560196712.db2.gz VGXFBQYRPPQKHP-CABCVRRESA-N 1 1 355.398 2.137 20 5 FEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000449293012 560224071 /nfs/dbraw/zinc/22/40/71/560224071.db2.gz SXNWXBCHTQJGOW-CQSZACIVSA-N 1 1 368.437 2.481 20 5 FEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000449293012 560224072 /nfs/dbraw/zinc/22/40/72/560224072.db2.gz SXNWXBCHTQJGOW-CQSZACIVSA-N 1 1 368.437 2.481 20 5 FEBDMO COc1cc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)c([N+](=O)[O-])cc1F ZINC000450149497 560252202 /nfs/dbraw/zinc/25/22/02/560252202.db2.gz VXSBYZGXHUVGPN-UHFFFAOYSA-N 1 1 374.372 2.408 20 5 FEBDMO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000450148575 560252272 /nfs/dbraw/zinc/25/22/72/560252272.db2.gz PZNJHRRUWAWNOL-FZMZJTMJSA-N 1 1 351.378 2.299 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000450148574 560252281 /nfs/dbraw/zinc/25/22/81/560252281.db2.gz PZNJHRRUWAWNOL-BXUZGUMPSA-N 1 1 351.378 2.299 20 5 FEBDMO CC[NH+]1CCN(C(=O)Cc2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2)CC1 ZINC000450376103 560260646 /nfs/dbraw/zinc/26/06/46/560260646.db2.gz ZNUDLWISKNZTBN-UHFFFAOYSA-N 1 1 369.425 2.440 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3CCC[N@@H+]3CCCO)n2)cc1 ZINC000450596687 560267471 /nfs/dbraw/zinc/26/74/71/560267471.db2.gz NSYDJOSCNRUXNX-HNNXBMFYSA-N 1 1 362.455 2.977 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451341100 560301275 /nfs/dbraw/zinc/30/12/75/560301275.db2.gz KRVNRUWYDRBXKH-LMMKCTJWSA-N 1 1 373.453 2.499 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000451632362 560318162 /nfs/dbraw/zinc/31/81/62/560318162.db2.gz OQJMIWTYCZDIJR-ZIBATOQPSA-N 1 1 352.822 2.211 20 5 FEBDMO CC1(C)C[C@@H](O)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451804109 560329578 /nfs/dbraw/zinc/32/95/78/560329578.db2.gz APSUSVANBBOXRX-AWEZNQCLSA-N 1 1 363.414 2.376 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451804572 560329609 /nfs/dbraw/zinc/32/96/09/560329609.db2.gz BQQRNEVNWZDBIU-OCCSQVGLSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451804572 560329610 /nfs/dbraw/zinc/32/96/10/560329610.db2.gz BQQRNEVNWZDBIU-OCCSQVGLSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452115271 560352125 /nfs/dbraw/zinc/35/21/25/560352125.db2.gz BHJWPOWTLDCGNS-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO CNc1nc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000455915706 560500010 /nfs/dbraw/zinc/50/00/10/560500010.db2.gz NLOGKJOBNBOGTB-UKRRQHHQSA-N 1 1 369.425 2.424 20 5 FEBDMO CNc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000455994608 560503791 /nfs/dbraw/zinc/50/37/91/560503791.db2.gz IABQTNGCGCMOTR-BBRMVZONSA-N 1 1 355.398 2.207 20 5 FEBDMO Cc1cc(OCC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000457006475 560543607 /nfs/dbraw/zinc/54/36/07/560543607.db2.gz ARYXEGWRAHFIIA-QGZVFWFLSA-N 1 1 355.394 2.455 20 5 FEBDMO CCN1C[C@@H](C)[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000459492095 560689568 /nfs/dbraw/zinc/68/95/68/560689568.db2.gz ZQLMLXCXVOBRJY-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459655426 560700587 /nfs/dbraw/zinc/70/05/87/560700587.db2.gz DEOTVGPDJFVPPO-HOCLYGCPSA-N 1 1 373.409 2.394 20 5 FEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000460800717 560752202 /nfs/dbraw/zinc/75/22/02/560752202.db2.gz FPURIHIUBQSSQN-UHFFFAOYSA-N 1 1 369.421 2.286 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463447532 560814938 /nfs/dbraw/zinc/81/49/38/560814938.db2.gz WWOCGZNPRZGIDZ-FQEVSTJZSA-N 1 1 369.421 2.478 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463447532 560814939 /nfs/dbraw/zinc/81/49/39/560814939.db2.gz WWOCGZNPRZGIDZ-FQEVSTJZSA-N 1 1 369.421 2.478 20 5 FEBDMO Cc1nn(C(C)C)cc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000466364652 560885105 /nfs/dbraw/zinc/88/51/05/560885105.db2.gz NNFRMXGXVPVVHL-UHFFFAOYSA-N 1 1 366.443 2.244 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000467795988 560917548 /nfs/dbraw/zinc/91/75/48/560917548.db2.gz PBJMBAOYAILQKB-HNNXBMFYSA-N 1 1 367.471 2.256 20 5 FEBDMO CN(C)c1[nH+]cnc2c1cc(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)n2C ZINC000470706645 560987878 /nfs/dbraw/zinc/98/78/78/560987878.db2.gz GQQHFZGHMPZWFT-UHFFFAOYSA-N 1 1 358.333 2.334 20 5 FEBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000471525687 561006498 /nfs/dbraw/zinc/00/64/98/561006498.db2.gz AHRQZZGISBKWAH-SECBINFHSA-N 1 1 354.823 2.338 20 5 FEBDMO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000472559883 561029302 /nfs/dbraw/zinc/02/93/02/561029302.db2.gz HWEPMXTWSQBIKP-RYUDHWBXSA-N 1 1 366.393 2.052 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000472612994 561030969 /nfs/dbraw/zinc/03/09/69/561030969.db2.gz YUBSMKPDQSKUCR-SMDDNHRTSA-N 1 1 366.393 2.004 20 5 FEBDMO COC(=O)c1cc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc(C)c1[N+](=O)[O-] ZINC000474793027 561082982 /nfs/dbraw/zinc/08/29/82/561082982.db2.gz YQXAXVRFWGCOKW-OAHLLOKOSA-N 1 1 365.430 2.459 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000475115071 561090970 /nfs/dbraw/zinc/09/09/70/561090970.db2.gz BBPVZOUKFAZIGP-GUTXKFCHSA-N 1 1 366.414 2.128 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000475713850 561103040 /nfs/dbraw/zinc/10/30/40/561103040.db2.gz FSEJUDVGHHDGIH-ZIAGYGMSSA-N 1 1 365.430 2.061 20 5 FEBDMO CCN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000476668243 561125703 /nfs/dbraw/zinc/12/57/03/561125703.db2.gz KQXTWEJZVCXHHQ-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO CNc1ccc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000531252426 562439750 /nfs/dbraw/zinc/43/97/50/562439750.db2.gz BQBOKEKVQZLBAZ-OKILXGFUSA-N 1 1 364.446 2.256 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000533282436 562503678 /nfs/dbraw/zinc/50/36/78/562503678.db2.gz UJJWPPQZNFDIHO-GFCCVEGCSA-N 1 1 351.403 2.025 20 5 FEBDMO O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533365300 562506662 /nfs/dbraw/zinc/50/66/62/562506662.db2.gz OGHQVCLOQGCVCY-KRWDZBQOSA-N 1 1 373.457 2.045 20 5 FEBDMO COc1ccc(CC(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901242 562596107 /nfs/dbraw/zinc/59/61/07/562596107.db2.gz XJZYKCOOWPONSJ-DLBZAZTESA-N 1 1 369.421 2.360 20 5 FEBDMO CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602545074 567990086 /nfs/dbraw/zinc/99/00/86/567990086.db2.gz MPDRZZQOQVLNET-SSDOTTSWSA-N 1 1 371.278 2.332 20 5 FEBDMO CC(C)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000557048993 674433644 /nfs/dbraw/zinc/43/36/44/674433644.db2.gz UVLLKOHYFMLHCG-AWEZNQCLSA-N 1 1 355.460 2.336 20 5 FEBDMO COc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826193065 607479893 /nfs/dbraw/zinc/47/98/93/607479893.db2.gz OIJRZJDLYFSSRP-UHFFFAOYSA-N 1 1 354.370 2.416 20 5 FEBDMO COc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000826193065 607479894 /nfs/dbraw/zinc/47/98/94/607479894.db2.gz OIJRZJDLYFSSRP-UHFFFAOYSA-N 1 1 354.370 2.416 20 5 FEBDMO C[NH+](C)Cc1cnc(CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000809655880 674503734 /nfs/dbraw/zinc/50/37/34/674503734.db2.gz SHGNRLCHFOWKAN-UHFFFAOYSA-N 1 1 350.448 2.147 20 5 FEBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817124 674512046 /nfs/dbraw/zinc/51/20/46/674512046.db2.gz SNTGOBBBYZAABX-UHFFFAOYSA-N 1 1 367.830 2.398 20 5 FEBDMO CC[N@@H+](CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000821213247 606216681 /nfs/dbraw/zinc/21/66/81/606216681.db2.gz ATNLMJSEEKOVEM-UHFFFAOYSA-N 1 1 368.401 2.219 20 5 FEBDMO C[N@@H+](CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)Cc1ccc(F)cc1 ZINC000821602687 606402904 /nfs/dbraw/zinc/40/29/04/606402904.db2.gz OIFBYSOKRGYWSX-UHFFFAOYSA-N 1 1 371.376 2.458 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820650231 607168613 /nfs/dbraw/zinc/16/86/13/607168613.db2.gz SCQLVLFKBPFRCW-BETUJISGSA-N 1 1 374.449 2.340 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000811812237 674630076 /nfs/dbraw/zinc/63/00/76/674630076.db2.gz PAXSTDTUCXAJPC-JOYOIKCWSA-N 1 1 350.375 2.341 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000561617284 674684291 /nfs/dbraw/zinc/68/42/91/674684291.db2.gz XLKGIRYAIAVMIK-GFCCVEGCSA-N 1 1 370.247 2.452 20 5 FEBDMO CCc1ccc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000563057654 674840626 /nfs/dbraw/zinc/84/06/26/674840626.db2.gz BNKCNWQYCOPDQP-UHFFFAOYSA-N 1 1 364.427 2.169 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000816971979 675091700 /nfs/dbraw/zinc/09/17/00/675091700.db2.gz XJWACQLTRYTHHG-LBPRGKRZSA-N 1 1 354.838 2.004 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000070894715 670492980 /nfs/dbraw/zinc/49/29/80/670492980.db2.gz CXPXMJKSGYLBMH-CYBMUJFWSA-N 1 1 355.822 2.335 20 5 FEBDMO C[NH+](C)C[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000575450131 671313760 /nfs/dbraw/zinc/31/37/60/671313760.db2.gz QMRLZVBFVYCFTN-NSHDSACASA-N 1 1 351.794 2.047 20 5 FEBDMO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271635 671356687 /nfs/dbraw/zinc/35/66/87/671356687.db2.gz FYMOCWPLPXBXLZ-HOTGVXAUSA-N 1 1 351.447 2.045 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271635 671356691 /nfs/dbraw/zinc/35/66/91/671356691.db2.gz FYMOCWPLPXBXLZ-HOTGVXAUSA-N 1 1 351.447 2.045 20 5 FEBDMO C[N@@H+]1CCO[C@@H](CSCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000577951921 671630812 /nfs/dbraw/zinc/63/08/12/671630812.db2.gz FCXKAUHEYSTLAI-CYBMUJFWSA-N 1 1 350.400 2.209 20 5 FEBDMO C[N@H+]1CCO[C@@H](CSCc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000577951921 671630813 /nfs/dbraw/zinc/63/08/13/671630813.db2.gz FCXKAUHEYSTLAI-CYBMUJFWSA-N 1 1 350.400 2.209 20 5 FEBDMO CS[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000580209945 671790545 /nfs/dbraw/zinc/79/05/45/671790545.db2.gz SEAKJKSHVPUGET-HZPDHXFCSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+](C)C ZINC000580209945 671790547 /nfs/dbraw/zinc/79/05/47/671790547.db2.gz SEAKJKSHVPUGET-HZPDHXFCSA-N 1 1 366.487 2.209 20 5 FEBDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119742431 671907000 /nfs/dbraw/zinc/90/70/00/671907000.db2.gz OOLYBZIZOLDMAI-GFCCVEGCSA-N 1 1 367.452 2.338 20 5 FEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000610133816 675955959 /nfs/dbraw/zinc/95/59/59/675955959.db2.gz IJFRZMMUTRRQSZ-BHYGNILZSA-N 1 1 352.431 2.470 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000610135255 675956273 /nfs/dbraw/zinc/95/62/73/675956273.db2.gz NXGHOGJUBHNIIG-CHWSQXEVSA-N 1 1 371.459 2.097 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C)C1CC1 ZINC000123889186 671987344 /nfs/dbraw/zinc/98/73/44/671987344.db2.gz YEXCDOUGZFIEHQ-UHFFFAOYSA-N 1 1 361.851 2.319 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)n2)c1 ZINC000131179530 672085361 /nfs/dbraw/zinc/08/53/61/672085361.db2.gz GNQXXCMBUBDFGX-LSDHHAIUSA-N 1 1 361.427 2.017 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)n2)c1 ZINC000131179530 672085365 /nfs/dbraw/zinc/08/53/65/672085365.db2.gz GNQXXCMBUBDFGX-LSDHHAIUSA-N 1 1 361.427 2.017 20 5 FEBDMO C[C@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000151434402 672163075 /nfs/dbraw/zinc/16/30/75/672163075.db2.gz AFMDDSQTIAFKCK-LLVKDONJSA-N 1 1 356.810 2.338 20 5 FEBDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174837381 672363972 /nfs/dbraw/zinc/36/39/72/672363972.db2.gz QANRXFYPUWZFND-OAHLLOKOSA-N 1 1 351.451 2.200 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000590165342 672563006 /nfs/dbraw/zinc/56/30/06/672563006.db2.gz GPBRCHMGSRXMIG-OAHLLOKOSA-N 1 1 373.862 2.355 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)cc1 ZINC000590749414 672609807 /nfs/dbraw/zinc/60/98/07/672609807.db2.gz FJPQDYVNKMVTPE-LESCRADOSA-N 1 1 350.415 2.226 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1ccccc1 ZINC000194332170 672756594 /nfs/dbraw/zinc/75/65/94/672756594.db2.gz IMIBTKAVHUWETD-AWEZNQCLSA-N 1 1 367.402 2.315 20 5 FEBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592189369 672769503 /nfs/dbraw/zinc/76/95/03/672769503.db2.gz SWYHWLRHSINTRA-HOCLYGCPSA-N 1 1 350.415 2.368 20 5 FEBDMO C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592196681 672770140 /nfs/dbraw/zinc/77/01/40/672770140.db2.gz XBFJGHXBYMHLNV-GJZGRUSLSA-N 1 1 350.415 2.368 20 5 FEBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187990 672888070 /nfs/dbraw/zinc/88/80/70/672888070.db2.gz SMBCXZWSPBVEAX-IJLUTSLNSA-N 1 1 351.403 2.165 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612483276 676084051 /nfs/dbraw/zinc/08/40/51/676084051.db2.gz NQBZGAGUFPVZAS-STQMWFEESA-N 1 1 353.394 2.064 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000594473340 673080191 /nfs/dbraw/zinc/08/01/91/673080191.db2.gz BGSVNVOAEGFHOB-UHFFFAOYSA-N 1 1 355.460 2.398 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594854465 673165039 /nfs/dbraw/zinc/16/50/39/673165039.db2.gz LMCIEEKJRDMSCU-ZDUSSCGKSA-N 1 1 353.444 2.280 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000595019258 673186819 /nfs/dbraw/zinc/18/68/19/673186819.db2.gz KYFOJWAOZJDYDN-SKDRFNHKSA-N 1 1 361.320 2.417 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000595411491 673246151 /nfs/dbraw/zinc/24/61/51/673246151.db2.gz REBXONGGSXISIZ-ZDUSSCGKSA-N 1 1 373.500 2.365 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596075251 673356373 /nfs/dbraw/zinc/35/63/73/673356373.db2.gz GCOYRZNPOXWEJV-CYBMUJFWSA-N 1 1 370.475 2.309 20 5 FEBDMO O=[N+]([O-])c1cncc(Cl)c1NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000596189518 673366336 /nfs/dbraw/zinc/36/63/36/673366336.db2.gz JDSKLBGJXTVOBQ-AWEZNQCLSA-N 1 1 362.817 2.244 20 5 FEBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597575915 673489041 /nfs/dbraw/zinc/48/90/41/673489041.db2.gz ACVDTGVHIBZPPZ-HUUCEWRRSA-N 1 1 357.332 2.060 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597926054 673518640 /nfs/dbraw/zinc/51/86/40/673518640.db2.gz TVFFVACOWAURNM-NSHDSACASA-N 1 1 351.403 2.215 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c(C)c1[N+](=O)[O-] ZINC000598597657 673587468 /nfs/dbraw/zinc/58/74/68/673587468.db2.gz SFUXTKGDVATJEA-UHFFFAOYSA-N 1 1 367.471 2.461 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000543140099 673627139 /nfs/dbraw/zinc/62/71/39/673627139.db2.gz JUAJEHQAODOABY-GJZGRUSLSA-N 1 1 368.455 2.117 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000543140099 673627141 /nfs/dbraw/zinc/62/71/41/673627141.db2.gz JUAJEHQAODOABY-GJZGRUSLSA-N 1 1 368.455 2.117 20 5 FEBDMO C[C@@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599104752 673633795 /nfs/dbraw/zinc/63/37/95/673633795.db2.gz NNVPXROHZNAURM-APPZFPTMSA-N 1 1 368.242 2.320 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599157073 673637214 /nfs/dbraw/zinc/63/72/14/673637214.db2.gz MQPRAPHDMDJIEA-VIFPVBQESA-N 1 1 354.204 2.324 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000599390011 673667992 /nfs/dbraw/zinc/66/79/92/673667992.db2.gz GEHFQVTUMDOHIJ-QGZVFWFLSA-N 1 1 367.471 2.421 20 5 FEBDMO O=C(CN1CC[NH+](CCCF)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599667689 673704036 /nfs/dbraw/zinc/70/40/36/673704036.db2.gz IMQSXFXVMINAHV-UHFFFAOYSA-N 1 1 358.801 2.164 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000545465357 673771235 /nfs/dbraw/zinc/77/12/35/673771235.db2.gz RTRGPPJEVZPJII-UHFFFAOYSA-N 1 1 355.460 2.336 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601356305 673847238 /nfs/dbraw/zinc/84/72/38/673847238.db2.gz MVOSGGMSPLDDSJ-VXGBXAGGSA-N 1 1 359.423 2.146 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602318181 673904378 /nfs/dbraw/zinc/90/43/78/673904378.db2.gz CGYHNRFRAMQIAO-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO Cn1cc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000602822240 673911391 /nfs/dbraw/zinc/91/13/91/673911391.db2.gz QNWSJZWWMXHUAQ-DZGCQCFKSA-N 1 1 363.805 2.043 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000602846446 673911763 /nfs/dbraw/zinc/91/17/63/673911763.db2.gz OPTVDZMCGRLPIB-GXTWGEPZSA-N 1 1 352.435 2.399 20 5 FEBDMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000823179904 675534477 /nfs/dbraw/zinc/53/44/77/675534477.db2.gz ZYSGCDHJVDZJFC-INIZCTEOSA-N 1 1 352.410 2.335 20 5 FEBDMO CC(C)[C@@H]1C[N@H+](C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000823179904 675534479 /nfs/dbraw/zinc/53/44/79/675534479.db2.gz ZYSGCDHJVDZJFC-INIZCTEOSA-N 1 1 352.410 2.335 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000823179904 675534480 /nfs/dbraw/zinc/53/44/80/675534480.db2.gz ZYSGCDHJVDZJFC-INIZCTEOSA-N 1 1 352.410 2.335 20 5 FEBDMO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC12COC2 ZINC000824489266 675606112 /nfs/dbraw/zinc/60/61/12/675606112.db2.gz IJIKIELODDXTPA-GFCCVEGCSA-N 1 1 354.790 2.260 20 5 FEBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC12COC2 ZINC000824489266 675606113 /nfs/dbraw/zinc/60/61/13/675606113.db2.gz IJIKIELODDXTPA-GFCCVEGCSA-N 1 1 354.790 2.260 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000825480876 675655285 /nfs/dbraw/zinc/65/52/85/675655285.db2.gz AGADFVSELGCZKP-NWDGAFQWSA-N 1 1 350.394 2.157 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000826632935 675696645 /nfs/dbraw/zinc/69/66/45/675696645.db2.gz MGPMCNXLUAOZCX-PHIMTYICSA-N 1 1 351.432 2.145 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959027 675855161 /nfs/dbraw/zinc/85/51/61/675855161.db2.gz KMGXDTXEXGQIGQ-QWRGUYRKSA-N 1 1 356.785 2.278 20 5 FEBDMO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000829015748 675859146 /nfs/dbraw/zinc/85/91/46/675859146.db2.gz SEDKNLHKMJTJRX-PHIMTYICSA-N 1 1 358.236 2.249 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000829590606 675884320 /nfs/dbraw/zinc/88/43/20/675884320.db2.gz XTLFVAACVFKSSP-UHFFFAOYSA-N 1 1 368.821 2.373 20 5 FEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000619078455 676362841 /nfs/dbraw/zinc/36/28/41/676362841.db2.gz ORDZGCQVQTUIOZ-NKPXIPJASA-N 1 1 365.455 2.108 20 5 FEBDMO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000619078455 676362842 /nfs/dbraw/zinc/36/28/42/676362842.db2.gz ORDZGCQVQTUIOZ-NKPXIPJASA-N 1 1 365.455 2.108 20 5 FEBDMO COCC(COC)[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000839622723 680767562 /nfs/dbraw/zinc/76/75/62/680767562.db2.gz STVGGBQDUUCXAU-UHFFFAOYSA-N 1 1 357.838 2.027 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000830951920 679899730 /nfs/dbraw/zinc/89/97/30/679899730.db2.gz YPMQKDPXNAZVQP-UHFFFAOYSA-N 1 1 353.394 2.164 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000749248571 680033476 /nfs/dbraw/zinc/03/34/76/680033476.db2.gz MXZFJWSKWKGIGJ-UHFFFAOYSA-N 1 1 350.810 2.477 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000832765382 680174275 /nfs/dbraw/zinc/17/42/75/680174275.db2.gz WURPCGXCRFNYOE-GFCCVEGCSA-N 1 1 359.423 2.146 20 5 FEBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063864 680193335 /nfs/dbraw/zinc/19/33/35/680193335.db2.gz NERZCJDBVJKMOM-LSCVPOLPSA-N 1 1 358.225 2.395 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000752252804 680232162 /nfs/dbraw/zinc/23/21/62/680232162.db2.gz HMDDUNUFDPNYPO-SNVBAGLBSA-N 1 1 361.851 2.177 20 5 FEBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983650478 680317522 /nfs/dbraw/zinc/31/75/22/680317522.db2.gz UOIFXADCQQTGBZ-QGMIFYJMSA-N 1 1 355.797 2.129 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cccc(Cl)c2)CC1 ZINC000997772237 680365830 /nfs/dbraw/zinc/36/58/30/680365830.db2.gz MQVBSALCCPPCQO-HZPDHXFCSA-N 1 1 351.834 2.333 20 5 FEBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643208 680436507 /nfs/dbraw/zinc/43/65/07/680436507.db2.gz KEVBRRYKMGCKLQ-BRXULGCHSA-N 1 1 353.369 2.147 20 5 FEBDMO O=C(NCC1=CC[N@@H+](CCc2ccc(Cl)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673638 680436991 /nfs/dbraw/zinc/43/69/91/680436991.db2.gz HYIKBVMLCBBCPA-IAGOWNOFSA-N 1 1 363.845 2.296 20 5 FEBDMO O=C(NCC1=CC[N@H+](CCc2ccc(Cl)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673638 680436992 /nfs/dbraw/zinc/43/69/92/680436992.db2.gz HYIKBVMLCBBCPA-IAGOWNOFSA-N 1 1 363.845 2.296 20 5 FEBDMO O=C(NCC1=CC[N@@H+](CCc2ccc(Cl)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000673638 680436995 /nfs/dbraw/zinc/43/69/95/680436995.db2.gz HYIKBVMLCBBCPA-IAGOWNOFSA-N 1 1 363.845 2.296 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1Cl ZINC000836666077 680496915 /nfs/dbraw/zinc/49/69/15/680496915.db2.gz BPQLPBUUBUQFCW-UHFFFAOYSA-N 1 1 368.865 2.266 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000757957707 680545908 /nfs/dbraw/zinc/54/59/08/680545908.db2.gz OWHNHNMCLNXCRT-UHFFFAOYSA-N 1 1 365.367 2.067 20 5 FEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000842826469 680969875 /nfs/dbraw/zinc/96/98/75/680969875.db2.gz SAEHBDWNBYEPHQ-NSHDSACASA-N 1 1 361.851 2.319 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000771203594 681046738 /nfs/dbraw/zinc/04/67/38/681046738.db2.gz HNJJGEGSRBPQDC-GFCCVEGCSA-N 1 1 352.410 2.323 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000771203594 681046741 /nfs/dbraw/zinc/04/67/41/681046741.db2.gz HNJJGEGSRBPQDC-GFCCVEGCSA-N 1 1 352.410 2.323 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c1 ZINC000844372809 681054851 /nfs/dbraw/zinc/05/48/51/681054851.db2.gz FOYRXPFOCKTYSU-INIZCTEOSA-N 1 1 350.806 2.428 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000772048131 681081025 /nfs/dbraw/zinc/08/10/25/681081025.db2.gz LEQQKKQCPMTYQF-CQSZACIVSA-N 1 1 354.428 2.474 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000772048131 681081028 /nfs/dbraw/zinc/08/10/28/681081028.db2.gz LEQQKKQCPMTYQF-CQSZACIVSA-N 1 1 354.428 2.474 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@H]1C ZINC000774639307 681214360 /nfs/dbraw/zinc/21/43/60/681214360.db2.gz VDXLHDGCUIOQDE-BXKDBHETSA-N 1 1 352.778 2.296 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C[C@H]1C ZINC000774639307 681214365 /nfs/dbraw/zinc/21/43/65/681214365.db2.gz VDXLHDGCUIOQDE-BXKDBHETSA-N 1 1 352.778 2.296 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000933544445 681429300 /nfs/dbraw/zinc/42/93/00/681429300.db2.gz DFYUSJTVRYTWLR-CYBMUJFWSA-N 1 1 365.455 2.111 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000848481584 681558762 /nfs/dbraw/zinc/55/87/62/681558762.db2.gz ANPULYFYOUPHOJ-UHFFFAOYSA-N 1 1 371.459 2.098 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848583421 681583566 /nfs/dbraw/zinc/58/35/66/681583566.db2.gz YYHIVJXGYICVCI-GFCCVEGCSA-N 1 1 357.357 2.413 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000779872326 681762987 /nfs/dbraw/zinc/76/29/87/681762987.db2.gz AUGIMJHGODDDGE-NEPJUHHUSA-N 1 1 373.862 2.462 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914325501 685504002 /nfs/dbraw/zinc/50/40/02/685504002.db2.gz LSRBVQFOKJJBTN-JKSUJKDBSA-N 1 1 364.471 2.016 20 5 FEBDMO O=[N+]([O-])c1c(Br)cccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000856745693 682803670 /nfs/dbraw/zinc/80/36/70/682803670.db2.gz BCPQQVYNEIUSEO-UHFFFAOYSA-N 1 1 352.192 2.407 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC000919836335 683301727 /nfs/dbraw/zinc/30/17/27/683301727.db2.gz CCDURWDLALBBPF-KGLIPLIRSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)cc1[N+](=O)[O-] ZINC000919836335 683301731 /nfs/dbraw/zinc/30/17/31/683301731.db2.gz CCDURWDLALBBPF-KGLIPLIRSA-N 1 1 353.444 2.014 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000928093147 683382847 /nfs/dbraw/zinc/38/28/47/683382847.db2.gz LHLGNXMNNHDKFN-WFASDCNBSA-N 1 1 360.439 2.386 20 5 FEBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000799581851 683469253 /nfs/dbraw/zinc/46/92/53/683469253.db2.gz JJMUSAYYFMZOJS-CYBMUJFWSA-N 1 1 353.423 2.376 20 5 FEBDMO CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000799581851 683469257 /nfs/dbraw/zinc/46/92/57/683469257.db2.gz JJMUSAYYFMZOJS-CYBMUJFWSA-N 1 1 353.423 2.376 20 5 FEBDMO C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865183357 683946983 /nfs/dbraw/zinc/94/69/83/683946983.db2.gz DBGXWMQYNFQIQU-LLVKDONJSA-N 1 1 356.220 2.110 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866205568 684082883 /nfs/dbraw/zinc/08/28/83/684082883.db2.gz MTCQGMDWLXZYJF-XHDPSFHLSA-N 1 1 351.378 2.441 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1F ZINC000867373762 684262554 /nfs/dbraw/zinc/26/25/54/684262554.db2.gz RIHVDMMZOKLLPI-GFCCVEGCSA-N 1 1 359.423 2.146 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]21 ZINC000868391751 684489751 /nfs/dbraw/zinc/48/97/51/684489751.db2.gz NPQBSEUFYIRBQY-ABAIWWIYSA-N 1 1 352.822 2.484 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000925233509 684542902 /nfs/dbraw/zinc/54/29/02/684542902.db2.gz WYEUIYZGWCJAIY-CQSZACIVSA-N 1 1 350.419 2.020 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869785649 684655741 /nfs/dbraw/zinc/65/57/41/684655741.db2.gz YSULDHAXBAGDOP-OLZOCXBDSA-N 1 1 367.471 2.037 20 5 FEBDMO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1[nH+]ccn1CC(F)F ZINC000871658709 684841775 /nfs/dbraw/zinc/84/17/75/684841775.db2.gz PAPHLLYNLFYNCD-UHFFFAOYSA-N 1 1 363.118 2.029 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@H](C(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000872273201 684933788 /nfs/dbraw/zinc/93/37/88/684933788.db2.gz VFQPUODTPWLTEM-ZDUSSCGKSA-N 1 1 361.320 2.419 20 5 FEBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000872662538 684999862 /nfs/dbraw/zinc/99/98/62/684999862.db2.gz FWYSIHLVVGNIKO-STQMWFEESA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000872662538 684999864 /nfs/dbraw/zinc/99/98/64/684999864.db2.gz FWYSIHLVVGNIKO-STQMWFEESA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000872666096 685001360 /nfs/dbraw/zinc/00/13/60/685001360.db2.gz SDIWDSMRWRBMFR-NWDGAFQWSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000872666096 685001363 /nfs/dbraw/zinc/00/13/63/685001363.db2.gz SDIWDSMRWRBMFR-NWDGAFQWSA-N 1 1 359.835 2.105 20 5 FEBDMO O=C1N(C[N@H+]2CC[C@H]3CSC[C@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000872720210 685008396 /nfs/dbraw/zinc/00/83/96/685008396.db2.gz JSYIGMYEOMDFCW-UONOGXRCSA-N 1 1 362.455 2.479 20 5 FEBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872720360 685008496 /nfs/dbraw/zinc/00/84/96/685008496.db2.gz NHPMSFIJQCVEKQ-NEPJUHHUSA-N 1 1 362.411 2.054 20 5 FEBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872720360 685008497 /nfs/dbraw/zinc/00/84/97/685008497.db2.gz NHPMSFIJQCVEKQ-NEPJUHHUSA-N 1 1 362.411 2.054 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000874828156 685676702 /nfs/dbraw/zinc/67/67/02/685676702.db2.gz FVTVRFIRSPSMCL-RYUDHWBXSA-N 1 1 369.219 2.061 20 5 FEBDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000876654264 686237471 /nfs/dbraw/zinc/23/74/71/686237471.db2.gz ARLFRRCLBVBFKM-AWEZNQCLSA-N 1 1 351.451 2.237 20 5 FEBDMO Cn1cc(C[N@H+](C)C[C@@H](O)c2ccccc2Br)c([N+](=O)[O-])n1 ZINC000877577368 686414892 /nfs/dbraw/zinc/41/48/92/686414892.db2.gz WLJCVWXMTKSGGZ-CYBMUJFWSA-N 1 1 369.219 2.256 20 5 FEBDMO Cn1cc(C[N@@H+](C)C[C@@H](O)c2ccccc2Br)c([N+](=O)[O-])n1 ZINC000877577368 686414897 /nfs/dbraw/zinc/41/48/97/686414897.db2.gz WLJCVWXMTKSGGZ-CYBMUJFWSA-N 1 1 369.219 2.256 20 5 FEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000878872419 686680330 /nfs/dbraw/zinc/68/03/30/686680330.db2.gz DBNRTZNVUOFYQF-MRXNPFEDSA-N 1 1 369.462 2.374 20 5 FEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000878872419 686680334 /nfs/dbraw/zinc/68/03/34/686680334.db2.gz DBNRTZNVUOFYQF-MRXNPFEDSA-N 1 1 369.462 2.374 20 5 FEBDMO CN1CC[N@@H+](C)C[C@H]1CNc1cc(F)cc(Br)c1[N+](=O)[O-] ZINC000881967202 687272980 /nfs/dbraw/zinc/27/29/80/687272980.db2.gz BYKNQWQOWWWQLR-SNVBAGLBSA-N 1 1 361.215 2.154 20 5 FEBDMO Cn1nc2c(c1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)CSCC2 ZINC000883195050 687585432 /nfs/dbraw/zinc/58/54/32/687585432.db2.gz JRKCIVJQESFHPK-KRWDZBQOSA-N 1 1 362.455 2.115 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000885455186 688077130 /nfs/dbraw/zinc/07/71/30/688077130.db2.gz HRUVVLJUIHEQFM-KGLIPLIRSA-N 1 1 353.444 2.151 20 5 FEBDMO C[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246118 689683156 /nfs/dbraw/zinc/68/31/56/689683156.db2.gz LMTYKZVICHFYTN-YGRLFVJLSA-N 1 1 357.252 2.404 20 5 FEBDMO COc1cc(CN[C@H]2CC[N@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557901 689894851 /nfs/dbraw/zinc/89/48/51/689894851.db2.gz LQNQNNBRYAFYGF-JQWIXIFHSA-N 1 1 359.373 2.430 20 5 FEBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557901 689894855 /nfs/dbraw/zinc/89/48/55/689894855.db2.gz LQNQNNBRYAFYGF-JQWIXIFHSA-N 1 1 359.373 2.430 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c(Br)c1 ZINC000897221090 689990192 /nfs/dbraw/zinc/99/01/92/689990192.db2.gz HCFNEWKXLZMYGX-GJZGRUSLSA-N 1 1 370.247 2.393 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000897221090 689990195 /nfs/dbraw/zinc/99/01/95/689990195.db2.gz HCFNEWKXLZMYGX-GJZGRUSLSA-N 1 1 370.247 2.393 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900606307 690537860 /nfs/dbraw/zinc/53/78/60/690537860.db2.gz RWDUGICMIRAZOC-NSHDSACASA-N 1 1 359.785 2.228 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000901228644 690627656 /nfs/dbraw/zinc/62/76/56/690627656.db2.gz NROKJRQQUIRGCZ-UHFFFAOYSA-N 1 1 373.812 2.306 20 5 FEBDMO COCC[N@H+]1CC[C@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906620219 691293065 /nfs/dbraw/zinc/29/30/65/691293065.db2.gz YXDSJZFPFZFAAC-ZDUSSCGKSA-N 1 1 355.822 2.018 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000907519625 691508278 /nfs/dbraw/zinc/50/82/78/691508278.db2.gz QRTWBIGFMCIOSB-CHWSQXEVSA-N 1 1 369.849 2.094 20 5 FEBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000908287525 691652445 /nfs/dbraw/zinc/65/24/45/691652445.db2.gz LJDCXPOLQYLDPO-GFCCVEGCSA-N 1 1 351.403 2.215 20 5 FEBDMO C[N@H+](CCOc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026183960 539779527 /nfs/dbraw/zinc/77/95/27/539779527.db2.gz IODBSPCFMDEOFI-UHFFFAOYSA-N 1 1 355.394 2.495 20 5 FEBDMO C[N@@H+](CCOc1ccccc1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000026183960 539779531 /nfs/dbraw/zinc/77/95/31/539779531.db2.gz IODBSPCFMDEOFI-UHFFFAOYSA-N 1 1 355.394 2.495 20 5 FEBDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000029882491 539867748 /nfs/dbraw/zinc/86/77/48/539867748.db2.gz BFSNBYSJBPBCBL-UHFFFAOYSA-N 1 1 361.423 2.419 20 5 FEBDMO CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000031174473 539900630 /nfs/dbraw/zinc/90/06/30/539900630.db2.gz QWRQLYJQWFZMSD-HNNXBMFYSA-N 1 1 371.393 2.356 20 5 FEBDMO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1 ZINC000031174473 539900634 /nfs/dbraw/zinc/90/06/34/539900634.db2.gz QWRQLYJQWFZMSD-HNNXBMFYSA-N 1 1 371.393 2.356 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000046980741 540281932 /nfs/dbraw/zinc/28/19/32/540281932.db2.gz OUOIPMZDDZZYLU-OAHLLOKOSA-N 1 1 371.441 2.340 20 5 FEBDMO Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744838 540327128 /nfs/dbraw/zinc/32/71/28/540327128.db2.gz XSJGFGOIWRZPEQ-IBGZPJMESA-N 1 1 371.437 2.465 20 5 FEBDMO Cc1c(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000049131702 540381886 /nfs/dbraw/zinc/38/18/86/540381886.db2.gz WSXVJMXPNLYNLT-CYBMUJFWSA-N 1 1 362.430 2.222 20 5 FEBDMO C[NH+]1CCC(N2CCC(Nc3nc4sccn4c3[N+](=O)[O-])CC2)CC1 ZINC000050954511 540416560 /nfs/dbraw/zinc/41/65/60/540416560.db2.gz LBNFKFJQYYPZIH-UHFFFAOYSA-N 1 1 364.475 2.275 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051043414 540420305 /nfs/dbraw/zinc/42/03/05/540420305.db2.gz AKYHPVRRLPRJPA-CQSZACIVSA-N 1 1 362.430 2.162 20 5 FEBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000053187722 540516529 /nfs/dbraw/zinc/51/65/29/540516529.db2.gz UWORACMZYWXLAQ-HNNXBMFYSA-N 1 1 371.441 2.482 20 5 FEBDMO C[NH+]1CCN([C@H](C(=O)NCc2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 ZINC000057782849 540815459 /nfs/dbraw/zinc/81/54/59/540815459.db2.gz DYPCNPQOOJDIBF-IBGZPJMESA-N 1 1 368.437 2.200 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000058299250 540838493 /nfs/dbraw/zinc/83/84/93/540838493.db2.gz HLXYHVPFYFBCHK-GJZGRUSLSA-N 1 1 355.398 2.137 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000058561884 540848851 /nfs/dbraw/zinc/84/88/51/540848851.db2.gz JBXSCMSAWXYACO-ZDUSSCGKSA-N 1 1 355.460 2.364 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000058923283 540859709 /nfs/dbraw/zinc/85/97/09/540859709.db2.gz XBKBWMATJZUAST-JTQLQIEISA-N 1 1 373.356 2.276 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000062120300 541144511 /nfs/dbraw/zinc/14/45/11/541144511.db2.gz YWKRYRKUADGDIC-KGLIPLIRSA-N 1 1 362.430 2.221 20 5 FEBDMO O=C(CC[NH+]1CCN(Cc2ccccn2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000063483454 541170355 /nfs/dbraw/zinc/17/03/55/541170355.db2.gz WHDIUMADFXKZOM-UHFFFAOYSA-N 1 1 369.425 2.136 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000063694990 541179083 /nfs/dbraw/zinc/17/90/83/541179083.db2.gz MVEZJQIPRFARAE-ZDUSSCGKSA-N 1 1 363.414 2.216 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[N@@H+](C)[C@H](C)CC)cc([N+](=O)[O-])c1 ZINC000066137889 541284302 /nfs/dbraw/zinc/28/43/02/541284302.db2.gz RYYGONZMDFTZDD-GFCCVEGCSA-N 1 1 351.403 2.232 20 5 FEBDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000067244556 541435629 /nfs/dbraw/zinc/43/56/29/541435629.db2.gz GMVJTUVIPRJKJH-GFCCVEGCSA-N 1 1 367.452 2.338 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067360652 541449122 /nfs/dbraw/zinc/44/91/22/541449122.db2.gz SBVLHAFKESTAPJ-QGZVFWFLSA-N 1 1 371.441 2.352 20 5 FEBDMO COc1cc(OCC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000069045890 541652127 /nfs/dbraw/zinc/65/21/27/541652127.db2.gz AYONQRRCLBHYBU-AWEZNQCLSA-N 1 1 365.430 2.219 20 5 FEBDMO CS(=O)(=O)c1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000075721773 542201858 /nfs/dbraw/zinc/20/18/58/542201858.db2.gz ZERVSNGPGNEQPA-LLVKDONJSA-N 1 1 350.400 2.105 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)c(F)c2)c1 ZINC000075741039 542201337 /nfs/dbraw/zinc/20/13/37/542201337.db2.gz FJTZZGWLGCANGG-BBRMVZONSA-N 1 1 352.341 2.268 20 5 FEBDMO O=C(C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1)N1CCCC1 ZINC000076048499 542226790 /nfs/dbraw/zinc/22/67/90/542226790.db2.gz CAKTZCSRWSERSN-SFHVURJKSA-N 1 1 361.442 2.241 20 5 FEBDMO O=C(C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1)N1CCCC1 ZINC000076048499 542226791 /nfs/dbraw/zinc/22/67/91/542226791.db2.gz CAKTZCSRWSERSN-SFHVURJKSA-N 1 1 361.442 2.241 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000081631816 542669075 /nfs/dbraw/zinc/66/90/75/542669075.db2.gz JOPYIKFLKYLQNI-MRXNPFEDSA-N 1 1 372.469 2.148 20 5 FEBDMO CCOc1ccc(C(=O)N2CC[NH+]([C@@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000087493908 542746615 /nfs/dbraw/zinc/74/66/15/542746615.db2.gz WWCGPBSLPOVADE-CQSZACIVSA-N 1 1 365.455 2.257 20 5 FEBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000802138090 674163278 /nfs/dbraw/zinc/16/32/78/674163278.db2.gz YNMOTHCXUSPDME-CQSZACIVSA-N 1 1 354.428 2.339 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000089927153 542774578 /nfs/dbraw/zinc/77/45/78/542774578.db2.gz CNUCXDKKPCXDKO-RWMBFGLXSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000089927153 542774579 /nfs/dbraw/zinc/77/45/79/542774579.db2.gz CNUCXDKKPCXDKO-RWMBFGLXSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089932840 542776198 /nfs/dbraw/zinc/77/61/98/542776198.db2.gz TVSLTQCTWGMTNF-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089961937 542778387 /nfs/dbraw/zinc/77/83/87/542778387.db2.gz WPNLFAFDOPXAGE-ROUUACIJSA-N 1 1 369.421 2.268 20 5 FEBDMO CCC[N@H+]1CCCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)CC1 ZINC000092993219 542900083 /nfs/dbraw/zinc/90/00/83/542900083.db2.gz OOXNCLYUYRVKRV-UHFFFAOYSA-N 1 1 359.423 2.149 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000247432515 549333017 /nfs/dbraw/zinc/33/30/17/549333017.db2.gz OUICLGADOPXIOJ-TZMCWYRMSA-N 1 1 365.430 2.414 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093360680 542928525 /nfs/dbraw/zinc/92/85/25/542928525.db2.gz GUKRJBMOOZOUBS-LLVKDONJSA-N 1 1 356.220 2.315 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000093360680 542928529 /nfs/dbraw/zinc/92/85/29/542928529.db2.gz GUKRJBMOOZOUBS-LLVKDONJSA-N 1 1 356.220 2.315 20 5 FEBDMO Cc1ccc(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cc1[N+](=O)[O-] ZINC000093533960 542933040 /nfs/dbraw/zinc/93/30/40/542933040.db2.gz GALYZOUHIWVPDD-UHFFFAOYSA-N 1 1 354.410 2.324 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000093665463 542936745 /nfs/dbraw/zinc/93/67/45/542936745.db2.gz IKSCADGBLNPPNV-CYBMUJFWSA-N 1 1 371.384 2.350 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000093665463 542936747 /nfs/dbraw/zinc/93/67/47/542936747.db2.gz IKSCADGBLNPPNV-CYBMUJFWSA-N 1 1 371.384 2.350 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)C)CC2)cc1SC ZINC000103068238 543090621 /nfs/dbraw/zinc/09/06/21/543090621.db2.gz ATXZOPZASIHGBW-UHFFFAOYSA-N 1 1 353.444 2.492 20 5 FEBDMO C[N@@H+](CCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1CCCC1 ZINC000104575030 543134498 /nfs/dbraw/zinc/13/44/98/543134498.db2.gz CPMBTPSDSUINQE-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000106866007 543251669 /nfs/dbraw/zinc/25/16/69/543251669.db2.gz VPKJFPNPEBHJNP-DOMZBBRYSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000106866007 543251671 /nfs/dbraw/zinc/25/16/71/543251671.db2.gz VPKJFPNPEBHJNP-DOMZBBRYSA-N 1 1 351.403 2.167 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c2c(c1)COCO2 ZINC000110848962 543370142 /nfs/dbraw/zinc/37/01/42/543370142.db2.gz KIORXWLOYPERNW-GFCCVEGCSA-N 1 1 350.371 2.046 20 5 FEBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000111221051 543386003 /nfs/dbraw/zinc/38/60/03/543386003.db2.gz QAUBZJATKIPMQZ-GXTWGEPZSA-N 1 1 358.398 2.378 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000111293087 543394033 /nfs/dbraw/zinc/39/40/33/543394033.db2.gz GPJJIJVYLBTISM-MRXNPFEDSA-N 1 1 360.414 2.010 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1CCO ZINC000112583829 543453226 /nfs/dbraw/zinc/45/32/26/543453226.db2.gz VRJCGWUQSGMKCK-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)CCc1ccccc1 ZINC000112698741 543457239 /nfs/dbraw/zinc/45/72/39/543457239.db2.gz LVYRGCRHEFZKGK-UHFFFAOYSA-N 1 1 357.410 2.379 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)CCc1ccccc1 ZINC000112698741 543457240 /nfs/dbraw/zinc/45/72/40/543457240.db2.gz LVYRGCRHEFZKGK-UHFFFAOYSA-N 1 1 357.410 2.379 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000114141562 543505258 /nfs/dbraw/zinc/50/52/58/543505258.db2.gz ADZUTGNDQYECMB-UHFFFAOYSA-N 1 1 368.865 2.252 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000115859016 543590490 /nfs/dbraw/zinc/59/04/90/543590490.db2.gz SMPOXMGTNXPGLS-STQMWFEESA-N 1 1 365.430 2.221 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cccc4c3OCCO4)C2)nc1 ZINC000118866236 543660746 /nfs/dbraw/zinc/66/07/46/543660746.db2.gz FPXFAUVBGGMBAX-CQSZACIVSA-N 1 1 356.382 2.447 20 5 FEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000126260810 543926703 /nfs/dbraw/zinc/92/67/03/543926703.db2.gz PWSKINDEYJZDDS-GXSJLCMTSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000126260810 543926706 /nfs/dbraw/zinc/92/67/06/543926706.db2.gz PWSKINDEYJZDDS-GXSJLCMTSA-N 1 1 359.835 2.152 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125680611 543895527 /nfs/dbraw/zinc/89/55/27/543895527.db2.gz JUJJCHLFSPWSGJ-RHSMWYFYSA-N 1 1 374.441 2.222 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126470496 543937635 /nfs/dbraw/zinc/93/76/35/543937635.db2.gz JKNNZQJAXOIELF-RHSMWYFYSA-N 1 1 358.442 2.482 20 5 FEBDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000127227473 543979846 /nfs/dbraw/zinc/97/98/46/543979846.db2.gz PIQFIJPDFBUBGT-HZPDHXFCSA-N 1 1 373.384 2.099 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000127846061 544017214 /nfs/dbraw/zinc/01/72/14/544017214.db2.gz NLNZMIQCIQACTA-CYBMUJFWSA-N 1 1 350.419 2.396 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000127846061 544017217 /nfs/dbraw/zinc/01/72/17/544017217.db2.gz NLNZMIQCIQACTA-CYBMUJFWSA-N 1 1 350.419 2.396 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128659544 544064891 /nfs/dbraw/zinc/06/48/91/544064891.db2.gz GQXNOKXMGJBNDE-OLZOCXBDSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000128659544 544064892 /nfs/dbraw/zinc/06/48/92/544064892.db2.gz GQXNOKXMGJBNDE-OLZOCXBDSA-N 1 1 353.806 2.231 20 5 FEBDMO Cc1nn(C)c(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000128708648 544067670 /nfs/dbraw/zinc/06/76/70/544067670.db2.gz IGICUSNIEWNMDK-UHFFFAOYSA-N 1 1 359.430 2.407 20 5 FEBDMO CCC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000131201189 544180247 /nfs/dbraw/zinc/18/02/47/544180247.db2.gz VEDAZXGSTVHJKO-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO CCC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000131201189 544180249 /nfs/dbraw/zinc/18/02/49/544180249.db2.gz VEDAZXGSTVHJKO-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000131171886 544179323 /nfs/dbraw/zinc/17/93/23/544179323.db2.gz GJAHJENPCDOXCD-INIZCTEOSA-N 1 1 369.487 2.477 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000132478368 544232561 /nfs/dbraw/zinc/23/25/61/544232561.db2.gz DTKZYIBVMZABBO-NOZJJQNGSA-N 1 1 361.320 2.063 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000132478368 544232562 /nfs/dbraw/zinc/23/25/62/544232562.db2.gz DTKZYIBVMZABBO-NOZJJQNGSA-N 1 1 361.320 2.063 20 5 FEBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@H](CO)C(C)(C)C ZINC000134434976 544307836 /nfs/dbraw/zinc/30/78/36/544307836.db2.gz LYDHUYWJTKWZMV-OAHLLOKOSA-N 1 1 351.403 2.232 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134206694 544299128 /nfs/dbraw/zinc/29/91/28/544299128.db2.gz OPPPYHPMGYKXEN-CQSZACIVSA-N 1 1 355.822 2.215 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452681 544347416 /nfs/dbraw/zinc/34/74/16/544347416.db2.gz GOCCZKMUQRWVGK-HZPDHXFCSA-N 1 1 358.398 2.070 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)n2)cc1 ZINC000135509911 544349722 /nfs/dbraw/zinc/34/97/22/544349722.db2.gz ZGNGQUADXXPCCA-KBPBESRZSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)n2)cc1 ZINC000135509911 544349725 /nfs/dbraw/zinc/34/97/25/544349725.db2.gz ZGNGQUADXXPCCA-KBPBESRZSA-N 1 1 362.411 2.351 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC2(CCOCC2)C1 ZINC000135642938 544357546 /nfs/dbraw/zinc/35/75/46/544357546.db2.gz KICBGHGMRHDHEF-UHFFFAOYSA-N 1 1 363.414 2.113 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@@H]21 ZINC000139964271 544406297 /nfs/dbraw/zinc/40/62/97/544406297.db2.gz MANYGCVNZMMOLW-FHLIZLRMSA-N 1 1 358.442 2.116 20 5 FEBDMO O=C(c1ccccc1)N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136912198 544381144 /nfs/dbraw/zinc/38/11/44/544381144.db2.gz ZDALOCOTYFGFQP-LJQANCHMSA-N 1 1 369.421 2.476 20 5 FEBDMO O=C(c1ccccc1)N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136912198 544381147 /nfs/dbraw/zinc/38/11/47/544381147.db2.gz ZDALOCOTYFGFQP-LJQANCHMSA-N 1 1 369.421 2.476 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000152851043 544703052 /nfs/dbraw/zinc/70/30/52/544703052.db2.gz IQFIFDDELSNQDA-ZDUSSCGKSA-N 1 1 370.475 2.131 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000152923787 544711524 /nfs/dbraw/zinc/71/15/24/544711524.db2.gz WYGRROWAOAOVBP-BXUZGUMPSA-N 1 1 373.862 2.353 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000154383289 544898456 /nfs/dbraw/zinc/89/84/56/544898456.db2.gz CAOWUYMXMQWYTH-OAHLLOKOSA-N 1 1 362.430 2.175 20 5 FEBDMO C[C@]1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCC[N@H+]1Cc1ccccc1 ZINC000154829254 544955029 /nfs/dbraw/zinc/95/50/29/544955029.db2.gz FJJFPQWMCKQZOA-LJQANCHMSA-N 1 1 369.425 2.357 20 5 FEBDMO C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552397211 674207431 /nfs/dbraw/zinc/20/74/31/674207431.db2.gz VFGYSEOUBQEWFA-JTQLQIEISA-N 1 1 372.219 2.264 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCc3sccc3C2)n1 ZINC000553001793 674233368 /nfs/dbraw/zinc/23/33/68/674233368.db2.gz RKUWMHCWMRQELX-UHFFFAOYSA-N 1 1 362.411 2.308 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+]2CCc3sccc3C2)n1 ZINC000553001793 674233369 /nfs/dbraw/zinc/23/33/69/674233369.db2.gz RKUWMHCWMRQELX-UHFFFAOYSA-N 1 1 362.411 2.308 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000553043141 674235308 /nfs/dbraw/zinc/23/53/08/674235308.db2.gz MFPVBMLCEOVUHE-STQMWFEESA-N 1 1 351.403 2.211 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184101707 327851249 /nfs/dbraw/zinc/85/12/49/327851249.db2.gz QCAOCHGEEWSONY-QGZVFWFLSA-N 1 1 363.439 2.317 20 5 FEBDMO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ncc(-c2ccccc2)o1 ZINC000184848267 327885559 /nfs/dbraw/zinc/88/55/59/327885559.db2.gz NLRVZDNSECZKHY-IUODEOHRSA-N 1 1 357.370 2.158 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000187171038 328006554 /nfs/dbraw/zinc/00/65/54/328006554.db2.gz VHOWZTDTZHVFDN-CZUORRHYSA-N 1 1 370.409 2.478 20 5 FEBDMO C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C(N)=O)C1 ZINC000187451199 328026372 /nfs/dbraw/zinc/02/63/72/328026372.db2.gz WFXVUPSCWRVROJ-WFASDCNBSA-N 1 1 358.398 2.378 20 5 FEBDMO CSc1cccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000188170044 328070831 /nfs/dbraw/zinc/07/08/31/328070831.db2.gz WJCANQGJYXTBSG-LBPRGKRZSA-N 1 1 353.444 2.015 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189284867 328139147 /nfs/dbraw/zinc/13/91/47/328139147.db2.gz UJZIJNYQFHRJGH-CYBMUJFWSA-N 1 1 350.419 2.098 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000190065553 328185373 /nfs/dbraw/zinc/18/53/73/328185373.db2.gz PKLWPCUGSJTKSE-CHWSQXEVSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000190065553 328185374 /nfs/dbraw/zinc/18/53/74/328185374.db2.gz PKLWPCUGSJTKSE-CHWSQXEVSA-N 1 1 353.444 2.115 20 5 FEBDMO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107544 328300183 /nfs/dbraw/zinc/30/01/83/328300183.db2.gz NESXOJJDPPFLQN-WMLDXEAASA-N 1 1 367.409 2.430 20 5 FEBDMO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107544 328300184 /nfs/dbraw/zinc/30/01/84/328300184.db2.gz NESXOJJDPPFLQN-WMLDXEAASA-N 1 1 367.409 2.430 20 5 FEBDMO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)c1ccccc1Cl ZINC000192568181 328326154 /nfs/dbraw/zinc/32/61/54/328326154.db2.gz HZQOFCOJGCPTNM-CQSZACIVSA-N 1 1 363.805 2.457 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000192728801 328335587 /nfs/dbraw/zinc/33/55/87/328335587.db2.gz JVRANGXLIICVGB-HZPDHXFCSA-N 1 1 359.430 2.167 20 5 FEBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000193997146 328405949 /nfs/dbraw/zinc/40/59/49/328405949.db2.gz SHQNXZDREGGXIF-HOTGVXAUSA-N 1 1 365.386 2.255 20 5 FEBDMO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079954225 325111380 /nfs/dbraw/zinc/11/13/80/325111380.db2.gz PGHFZHBONVUEOS-QGZVFWFLSA-N 1 1 374.485 2.156 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000081068151 325157874 /nfs/dbraw/zinc/15/78/74/325157874.db2.gz OUMRUSVSQCJKMQ-CQSZACIVSA-N 1 1 361.320 2.231 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1 ZINC000090462988 325360004 /nfs/dbraw/zinc/36/00/04/325360004.db2.gz GCZWROAJRPYZNZ-CHWSQXEVSA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c1 ZINC000090462988 325360006 /nfs/dbraw/zinc/36/00/06/325360006.db2.gz GCZWROAJRPYZNZ-CHWSQXEVSA-N 1 1 365.455 2.300 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000090551962 325363512 /nfs/dbraw/zinc/36/35/12/325363512.db2.gz LVPRJXRBSHTMKK-IBGZPJMESA-N 1 1 371.437 2.480 20 5 FEBDMO Cn1cc(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091926191 325398381 /nfs/dbraw/zinc/39/83/81/325398381.db2.gz XWYBXAOXKCNKJK-ZWKOTPCHSA-N 1 1 372.425 2.375 20 5 FEBDMO Cn1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091926191 325398383 /nfs/dbraw/zinc/39/83/83/325398383.db2.gz XWYBXAOXKCNKJK-ZWKOTPCHSA-N 1 1 372.425 2.375 20 5 FEBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000110958826 325697627 /nfs/dbraw/zinc/69/76/27/325697627.db2.gz ORZMWFCVOPYTOJ-LKGOPFMKSA-N 1 1 359.426 2.321 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000119028140 326119591 /nfs/dbraw/zinc/11/95/91/326119591.db2.gz IUKNBAVICKNJKJ-OAHLLOKOSA-N 1 1 372.429 2.236 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000119971987 326217179 /nfs/dbraw/zinc/21/71/79/326217179.db2.gz UVGCRHBSCQUUQV-CQSZACIVSA-N 1 1 350.419 2.396 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@H]1C ZINC000119971987 326217182 /nfs/dbraw/zinc/21/71/82/326217182.db2.gz UVGCRHBSCQUUQV-CQSZACIVSA-N 1 1 350.419 2.396 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000119972154 326217295 /nfs/dbraw/zinc/21/72/95/326217295.db2.gz UVGCRHBSCQUUQV-AWEZNQCLSA-N 1 1 350.419 2.396 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C[C@@H]1C ZINC000119972154 326217298 /nfs/dbraw/zinc/21/72/98/326217298.db2.gz UVGCRHBSCQUUQV-AWEZNQCLSA-N 1 1 350.419 2.396 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000120028388 326223055 /nfs/dbraw/zinc/22/30/55/326223055.db2.gz DYJMQQZAPBHOEO-GOSISDBHSA-N 1 1 370.409 2.483 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000120167480 326236675 /nfs/dbraw/zinc/23/66/75/326236675.db2.gz JUWQRGRUOHBSGA-LBPRGKRZSA-N 1 1 361.489 2.303 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000120837963 326291993 /nfs/dbraw/zinc/29/19/93/326291993.db2.gz WRITXYNANWEUBX-AWEZNQCLSA-N 1 1 374.397 2.162 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1C ZINC000121454879 326339871 /nfs/dbraw/zinc/33/98/71/326339871.db2.gz BRTLVZGQNFSXRG-AAEUAGOBSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1C ZINC000121454879 326339873 /nfs/dbraw/zinc/33/98/73/326339873.db2.gz BRTLVZGQNFSXRG-AAEUAGOBSA-N 1 1 353.444 2.115 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122033271 326381476 /nfs/dbraw/zinc/38/14/76/326381476.db2.gz AYZCHGXPKJVZIP-UHFFFAOYSA-N 1 1 358.398 2.188 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2c([N+](=O)[O-])cnn2C)cc1 ZINC000125981707 326481175 /nfs/dbraw/zinc/48/11/75/326481175.db2.gz IEBVKGTZABSWAY-LLVKDONJSA-N 1 1 354.370 2.313 20 5 FEBDMO COc1cccc(OCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000152618457 326711996 /nfs/dbraw/zinc/71/19/96/326711996.db2.gz FNVUSAONEPGFSR-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000162683469 327031999 /nfs/dbraw/zinc/03/19/99/327031999.db2.gz OVQLTWAAYCZKGN-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000171411332 327137991 /nfs/dbraw/zinc/13/79/91/327137991.db2.gz MZSPWMCQZMNPNG-UHFFFAOYSA-N 1 1 364.446 2.237 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000173270546 327245530 /nfs/dbraw/zinc/24/55/30/327245530.db2.gz ZHEBPYISKVYLDU-ZIAGYGMSSA-N 1 1 355.460 2.315 20 5 FEBDMO Cc1nn(C)c(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000173710562 327278900 /nfs/dbraw/zinc/27/89/00/327278900.db2.gz ZTRSAZIRSWNURJ-INIZCTEOSA-N 1 1 371.441 2.373 20 5 FEBDMO COCCOC[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000173729066 327279457 /nfs/dbraw/zinc/27/94/57/327279457.db2.gz DDDBUWBNFWVQFU-OAHLLOKOSA-N 1 1 365.430 2.217 20 5 FEBDMO Cc1ccc(NCCCNC(=O)CN(C)c2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000173781786 327283859 /nfs/dbraw/zinc/28/38/59/327283859.db2.gz FPSJLYBBTRITCY-UHFFFAOYSA-N 1 1 357.414 2.353 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173831799 327287423 /nfs/dbraw/zinc/28/74/23/327287423.db2.gz WOHPZSBDZABNIV-NWDGAFQWSA-N 1 1 373.862 2.496 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000173948657 327296685 /nfs/dbraw/zinc/29/66/85/327296685.db2.gz KWZUHVGMBGPJJS-AWEZNQCLSA-N 1 1 355.460 2.256 20 5 FEBDMO COCCOC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000174114074 327306919 /nfs/dbraw/zinc/30/69/19/327306919.db2.gz HKQCCLAJJLZGQG-CYBMUJFWSA-N 1 1 362.386 2.130 20 5 FEBDMO CCc1ccc(C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000174205314 327313010 /nfs/dbraw/zinc/31/30/10/327313010.db2.gz AMWDUYZCMQRMTP-GOSISDBHSA-N 1 1 374.485 2.399 20 5 FEBDMO CC(C)OCCN1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174895779 327359107 /nfs/dbraw/zinc/35/91/07/327359107.db2.gz HXICPFUXBPNZRK-UHFFFAOYSA-N 1 1 351.447 2.406 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266207024 329200547 /nfs/dbraw/zinc/20/05/47/329200547.db2.gz PMTFKOATKGDHED-AAEUAGOBSA-N 1 1 359.423 2.085 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369635 329319964 /nfs/dbraw/zinc/31/99/64/329319964.db2.gz FUJMOPOLINRSLX-CRAIPNDOSA-N 1 1 371.441 2.208 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268065189 329381825 /nfs/dbraw/zinc/38/18/25/329381825.db2.gz AOIHPYWUIKRHPE-ZDUSSCGKSA-N 1 1 363.414 2.397 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000268101541 329385437 /nfs/dbraw/zinc/38/54/37/329385437.db2.gz IAFJMDTWOYNFCI-HNNXBMFYSA-N 1 1 364.446 2.381 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000268168774 329392617 /nfs/dbraw/zinc/39/26/17/329392617.db2.gz IZDGMQRMEQGKOM-CYBMUJFWSA-N 1 1 365.430 2.320 20 5 FEBDMO COCC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000273320087 329855531 /nfs/dbraw/zinc/85/55/31/329855531.db2.gz WRAMSPZHMRPCKS-OAHLLOKOSA-N 1 1 359.382 2.444 20 5 FEBDMO CCOCCOCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000276208456 330129251 /nfs/dbraw/zinc/12/92/51/330129251.db2.gz OSPHVZGERJINTM-UHFFFAOYSA-N 1 1 362.430 2.480 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426212517 330270224 /nfs/dbraw/zinc/27/02/24/330270224.db2.gz ZUADLOLTSLNEQN-HUUCEWRRSA-N 1 1 351.403 2.167 20 5 FEBDMO COCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433187590 330275607 /nfs/dbraw/zinc/27/56/07/330275607.db2.gz OLVLOJIKOHYVDA-LSDHHAIUSA-N 1 1 370.471 2.179 20 5 FEBDMO Cc1ccc(N2CC[N@@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1Br ZINC000804613255 674293997 /nfs/dbraw/zinc/29/39/97/674293997.db2.gz OMILJWSXLZARLX-LLVKDONJSA-N 1 1 356.220 2.187 20 5 FEBDMO Cc1ccc(N2CC[N@H+]3CCOC[C@H]3C2)c([N+](=O)[O-])c1Br ZINC000804613255 674293999 /nfs/dbraw/zinc/29/39/99/674293999.db2.gz OMILJWSXLZARLX-LLVKDONJSA-N 1 1 356.220 2.187 20 5 FEBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000553915210 674294516 /nfs/dbraw/zinc/29/45/16/674294516.db2.gz NGLUZUGEYIRRAY-MRXNPFEDSA-N 1 1 367.402 2.315 20 5 FEBDMO Cc1c(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)cccc1[N+](=O)[O-] ZINC000157718015 545773692 /nfs/dbraw/zinc/77/36/92/545773692.db2.gz GQKLUFDZCLKWCZ-UHFFFAOYSA-N 1 1 350.419 2.214 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3C)CC2)[nH+]c1 ZINC000157937960 545802158 /nfs/dbraw/zinc/80/21/58/545802158.db2.gz XVIBHIICECZHCJ-UHFFFAOYSA-N 1 1 355.398 2.400 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159528989 545960690 /nfs/dbraw/zinc/96/06/90/545960690.db2.gz AXIUHDADXAWVRA-LRDDRELGSA-N 1 1 351.403 2.025 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000159731480 545976341 /nfs/dbraw/zinc/97/63/41/545976341.db2.gz XRIZKPDYRUEKTA-HNNXBMFYSA-N 1 1 363.439 2.499 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000176085106 546403469 /nfs/dbraw/zinc/40/34/69/546403469.db2.gz IUPILJBKQJCNIL-GFCCVEGCSA-N 1 1 350.375 2.225 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176334710 546433160 /nfs/dbraw/zinc/43/31/60/546433160.db2.gz YNXBLPQFSSPFDP-AWEZNQCLSA-N 1 1 352.435 2.232 20 5 FEBDMO CCOc1cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000177161234 546558666 /nfs/dbraw/zinc/55/86/66/546558666.db2.gz WEECYGFNDQZOPH-NEPJUHHUSA-N 1 1 363.414 2.357 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000180048438 547043019 /nfs/dbraw/zinc/04/30/19/547043019.db2.gz YLIFZGOQKRDQKK-INIZCTEOSA-N 1 1 369.487 2.131 20 5 FEBDMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482691873 561258640 /nfs/dbraw/zinc/25/86/40/561258640.db2.gz RWQSQMBAZFMTLM-CYBMUJFWSA-N 1 1 357.414 2.209 20 5 FEBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000482691873 561258641 /nfs/dbraw/zinc/25/86/41/561258641.db2.gz RWQSQMBAZFMTLM-CYBMUJFWSA-N 1 1 357.414 2.209 20 5 FEBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000180897045 547205067 /nfs/dbraw/zinc/20/50/67/547205067.db2.gz PYJYQLVUPYYTSS-CQSZACIVSA-N 1 1 370.409 2.170 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000181407404 547309268 /nfs/dbraw/zinc/30/92/68/547309268.db2.gz CSRASALXWWFYRE-CYBMUJFWSA-N 1 1 370.475 2.309 20 5 FEBDMO CNC(=O)C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000483411188 561276486 /nfs/dbraw/zinc/27/64/86/561276486.db2.gz RFXNRQXTNGNYAX-QGZVFWFLSA-N 1 1 370.409 2.309 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCSCC[C@H]2C)cc1[N+](=O)[O-] ZINC000483426549 561276930 /nfs/dbraw/zinc/27/69/30/561276930.db2.gz ODSOVYNDQMGTBF-GFCCVEGCSA-N 1 1 354.428 2.474 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000181943680 547409904 /nfs/dbraw/zinc/40/99/04/547409904.db2.gz GHOHJPUQQQFIJO-HNNXBMFYSA-N 1 1 369.487 2.032 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182219706 547455983 /nfs/dbraw/zinc/45/59/83/547455983.db2.gz BWJJSZIPOBSATR-CYBMUJFWSA-N 1 1 362.430 2.112 20 5 FEBDMO CC[N@@H+](CCc1nccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182249678 547460460 /nfs/dbraw/zinc/46/04/60/547460460.db2.gz AMYOTCOARAXVEL-ZDUSSCGKSA-N 1 1 351.428 2.356 20 5 FEBDMO CC(C)[C@@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000182498297 547503490 /nfs/dbraw/zinc/50/34/90/547503490.db2.gz XHZQCRTXRZKDOK-SUMWQHHRSA-N 1 1 367.421 2.310 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183244015 547625722 /nfs/dbraw/zinc/62/57/22/547625722.db2.gz AQHHQXLHNOWZEK-NSHDSACASA-N 1 1 360.357 2.452 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183244015 547625727 /nfs/dbraw/zinc/62/57/27/547625727.db2.gz AQHHQXLHNOWZEK-NSHDSACASA-N 1 1 360.357 2.452 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000183444558 547660255 /nfs/dbraw/zinc/66/02/55/547660255.db2.gz WLVOKPCYJBKACQ-SFHVURJKSA-N 1 1 355.394 2.091 20 5 FEBDMO O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000183453166 547663184 /nfs/dbraw/zinc/66/31/84/547663184.db2.gz FFYUYRVKZBEBAK-SFHVURJKSA-N 1 1 369.421 2.020 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000183487198 547669700 /nfs/dbraw/zinc/66/97/00/547669700.db2.gz JTCYUWIUWJZLEU-NSHDSACASA-N 1 1 373.862 2.319 20 5 FEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nnc2n1CCCC2 ZINC000183847200 547728327 /nfs/dbraw/zinc/72/83/27/547728327.db2.gz SFNYNZPERLVTBG-LBPRGKRZSA-N 1 1 358.402 2.030 20 5 FEBDMO CN(C(=O)C[N@H+]1CCC[C@@H](C2(C)OCCO2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000183860772 547730651 /nfs/dbraw/zinc/73/06/51/547730651.db2.gz KJQWJGUBKUZHRA-CQSZACIVSA-N 1 1 363.414 2.033 20 5 FEBDMO COC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184772727 547878083 /nfs/dbraw/zinc/87/80/83/547878083.db2.gz QAEHYGWZBUSBPB-UONOGXRCSA-N 1 1 350.371 2.213 20 5 FEBDMO C[C@@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713741 548024352 /nfs/dbraw/zinc/02/43/52/548024352.db2.gz CGMHOIPNDCUPHO-CZUORRHYSA-N 1 1 360.458 2.436 20 5 FEBDMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186916815 548217890 /nfs/dbraw/zinc/21/78/90/548217890.db2.gz QZYYLPLACIGQKF-HNNXBMFYSA-N 1 1 356.382 2.090 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)C[C@H]2C1 ZINC000192486029 548365133 /nfs/dbraw/zinc/36/51/33/548365133.db2.gz UKYBKKIBWTYIOJ-IYBDPMFKSA-N 1 1 361.445 2.175 20 5 FEBDMO CCOc1cc(NCC[NH+]2CCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000486968319 561360568 /nfs/dbraw/zinc/36/05/68/561360568.db2.gz NWXXNYMWLRMGCK-UHFFFAOYSA-N 1 1 372.429 2.018 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000198615770 548661842 /nfs/dbraw/zinc/66/18/42/548661842.db2.gz AKURAPWWZCHPLN-STQMWFEESA-N 1 1 365.430 2.221 20 5 FEBDMO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000487441102 561369879 /nfs/dbraw/zinc/36/98/79/561369879.db2.gz FJGKGDNIAPNGGI-AWEZNQCLSA-N 1 1 355.398 2.089 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000245444727 548923352 /nfs/dbraw/zinc/92/33/52/548923352.db2.gz JVDBMJRCRNQRPD-IEBWSBKVSA-N 1 1 367.409 2.059 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCn3cccc3[C@H]2c2ccccc2)c1 ZINC000245444727 548923355 /nfs/dbraw/zinc/92/33/55/548923355.db2.gz JVDBMJRCRNQRPD-IEBWSBKVSA-N 1 1 367.409 2.059 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C ZINC000487983018 561380669 /nfs/dbraw/zinc/38/06/69/561380669.db2.gz TYNNQPWFCMLIAS-ZVZYQTTQSA-N 1 1 352.431 2.472 20 5 FEBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)C[C@H](C)O ZINC000245788569 548994661 /nfs/dbraw/zinc/99/46/61/548994661.db2.gz NHZDCGUNQAXHGQ-WDEREUQCSA-N 1 1 364.427 2.358 20 5 FEBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)C[C@H](C)O ZINC000245788569 548994664 /nfs/dbraw/zinc/99/46/64/548994664.db2.gz NHZDCGUNQAXHGQ-WDEREUQCSA-N 1 1 364.427 2.358 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000246046022 549040662 /nfs/dbraw/zinc/04/06/62/549040662.db2.gz BVRABYTUQSHBEA-ZFWWWQNUSA-N 1 1 353.444 2.151 20 5 FEBDMO C[C@H](NC(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000246130856 549059487 /nfs/dbraw/zinc/05/94/87/549059487.db2.gz IZDZFCFWAXHNOM-GOEBONIOSA-N 1 1 369.425 2.353 20 5 FEBDMO C[C@H](NC(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000246130856 549059491 /nfs/dbraw/zinc/05/94/91/549059491.db2.gz IZDZFCFWAXHNOM-GOEBONIOSA-N 1 1 369.425 2.353 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246468237 549140357 /nfs/dbraw/zinc/14/03/57/549140357.db2.gz GPNWVMOLHSESLC-YOEHRIQHSA-N 1 1 371.441 2.269 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000246578098 549166867 /nfs/dbraw/zinc/16/68/67/549166867.db2.gz WOCDLBNMJFPINI-ZNMIVQPWSA-N 1 1 369.487 2.381 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000247252773 549307249 /nfs/dbraw/zinc/30/72/49/549307249.db2.gz ZTOIUTLYRQMEHM-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000247337499 549321574 /nfs/dbraw/zinc/32/15/74/549321574.db2.gz NINWKMUSUKMGOZ-SJORKVTESA-N 1 1 363.414 2.112 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000248704188 549487028 /nfs/dbraw/zinc/48/70/28/549487028.db2.gz LNEKNUUMLQBARY-UZLBHIALSA-N 1 1 370.405 2.466 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000249118817 549556076 /nfs/dbraw/zinc/55/60/76/549556076.db2.gz TUEUQJJDINNTGO-BFYDXBDKSA-N 1 1 363.458 2.077 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000249118817 549556080 /nfs/dbraw/zinc/55/60/80/549556080.db2.gz TUEUQJJDINNTGO-BFYDXBDKSA-N 1 1 363.458 2.077 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000249151153 549561413 /nfs/dbraw/zinc/56/14/13/549561413.db2.gz HGJGFCKTYBRWGI-KGLIPLIRSA-N 1 1 355.460 2.135 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000250199011 549639422 /nfs/dbraw/zinc/63/94/22/549639422.db2.gz BFQMDUSDEFQASE-VNHYZAJKSA-N 1 1 365.405 2.448 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000250199011 549639423 /nfs/dbraw/zinc/63/94/23/549639423.db2.gz BFQMDUSDEFQASE-VNHYZAJKSA-N 1 1 365.405 2.448 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1OC ZINC000490302099 561430467 /nfs/dbraw/zinc/43/04/67/561430467.db2.gz RXZNYQJVIMLHNW-HNNXBMFYSA-N 1 1 365.430 2.414 20 5 FEBDMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@@H](C)O1 ZINC000490849455 561439144 /nfs/dbraw/zinc/43/91/44/561439144.db2.gz YKESPKQWEQEJHH-SPYBWZPUSA-N 1 1 363.458 2.029 20 5 FEBDMO COc1ccc(C[N@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](CO)C(C)C)cc1 ZINC000491356128 561444945 /nfs/dbraw/zinc/44/49/45/561444945.db2.gz KGOZQDFQTMOUPM-QGZVFWFLSA-N 1 1 362.430 2.356 20 5 FEBDMO COc1ccc(C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)[C@H](CO)C(C)C)cc1 ZINC000491356128 561444946 /nfs/dbraw/zinc/44/49/46/561444946.db2.gz KGOZQDFQTMOUPM-QGZVFWFLSA-N 1 1 362.430 2.356 20 5 FEBDMO CC(=O)N1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000268735552 550110484 /nfs/dbraw/zinc/11/04/84/550110484.db2.gz OJULBDRRWFSNDD-ZDUSSCGKSA-N 1 1 358.398 2.345 20 5 FEBDMO CC(=O)N1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C)C1 ZINC000268735552 550110488 /nfs/dbraw/zinc/11/04/88/550110488.db2.gz OJULBDRRWFSNDD-ZDUSSCGKSA-N 1 1 358.398 2.345 20 5 FEBDMO COc1cc(C[NH2+]C[C@@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000492212052 561450246 /nfs/dbraw/zinc/45/02/46/561450246.db2.gz XKVFZQPIQGVDJD-LLVKDONJSA-N 1 1 374.262 2.260 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCS[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000268975588 550139542 /nfs/dbraw/zinc/13/95/42/550139542.db2.gz OVKSCCFOZSRNIN-BBRMVZONSA-N 1 1 354.428 2.189 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000269413748 550193018 /nfs/dbraw/zinc/19/30/18/550193018.db2.gz XVDVOEMITLGNQI-LBPRGKRZSA-N 1 1 352.387 2.387 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000269413748 550193019 /nfs/dbraw/zinc/19/30/19/550193019.db2.gz XVDVOEMITLGNQI-LBPRGKRZSA-N 1 1 352.387 2.387 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)C1 ZINC000271107045 550341128 /nfs/dbraw/zinc/34/11/28/550341128.db2.gz LMUSKNWPTJXPSL-AWEZNQCLSA-N 1 1 371.441 2.490 20 5 FEBDMO COc1ccc(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000271726555 550398129 /nfs/dbraw/zinc/39/81/29/550398129.db2.gz OLVYVFQARDTXIZ-NSHDSACASA-N 1 1 365.411 2.102 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)NCC2=CC[N@@H+](C)CC2)cc1SC ZINC000271820737 550404537 /nfs/dbraw/zinc/40/45/37/550404537.db2.gz GFOZVVHLYJXDBW-UHFFFAOYSA-N 1 1 351.428 2.317 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000272177252 550427427 /nfs/dbraw/zinc/42/74/27/550427427.db2.gz JNODGUPJOCATIK-RDTXWAMCSA-N 1 1 358.442 2.361 20 5 FEBDMO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2 ZINC000272378856 550442421 /nfs/dbraw/zinc/44/24/21/550442421.db2.gz DNSINSNXHUGELQ-GFCCVEGCSA-N 1 1 367.413 2.384 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272409720 550445174 /nfs/dbraw/zinc/44/51/74/550445174.db2.gz KZDCMXJIMZJQKY-IAQYHMDHSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272409720 550445175 /nfs/dbraw/zinc/44/51/75/550445175.db2.gz KZDCMXJIMZJQKY-IAQYHMDHSA-N 1 1 373.862 2.271 20 5 FEBDMO C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1=CC[N@@H+](C)CC1 ZINC000272760599 550469138 /nfs/dbraw/zinc/46/91/38/550469138.db2.gz FWYDGYGYVVCWSG-LLVKDONJSA-N 1 1 356.382 2.229 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000273247518 550491553 /nfs/dbraw/zinc/49/15/53/550491553.db2.gz YLPDDHVMPXXBGP-GFCCVEGCSA-N 1 1 373.862 2.177 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000273479722 550500139 /nfs/dbraw/zinc/50/01/39/550500139.db2.gz UFSPFJGYWIDVJX-AWEZNQCLSA-N 1 1 367.413 2.052 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000273479722 550500140 /nfs/dbraw/zinc/50/01/40/550500140.db2.gz UFSPFJGYWIDVJX-AWEZNQCLSA-N 1 1 367.413 2.052 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)c1nnc(C)s1 ZINC000273616747 550505408 /nfs/dbraw/zinc/50/54/08/550505408.db2.gz PNSSBIHZLKSVSR-SECBINFHSA-N 1 1 365.415 2.443 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3cc[nH]c(=O)c3C2)c([N+](=O)[O-])c1 ZINC000277009657 550621342 /nfs/dbraw/zinc/62/13/42/550621342.db2.gz XWLHZKAAVMHROE-UHFFFAOYSA-N 1 1 372.381 2.091 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277169103 550639542 /nfs/dbraw/zinc/63/95/42/550639542.db2.gz KQUUPOHYORELAD-YEBMWUKDSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277169103 550639544 /nfs/dbraw/zinc/63/95/44/550639544.db2.gz KQUUPOHYORELAD-YEBMWUKDSA-N 1 1 353.444 2.075 20 5 FEBDMO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000277866545 550723244 /nfs/dbraw/zinc/72/32/44/550723244.db2.gz UNYUUGBHLDEUTM-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO CCC[C@@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000277866545 550723245 /nfs/dbraw/zinc/72/32/45/550723245.db2.gz UNYUUGBHLDEUTM-KRWDZBQOSA-N 1 1 351.403 2.169 20 5 FEBDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000278041174 550742164 /nfs/dbraw/zinc/74/21/64/550742164.db2.gz CHSGTSZTOHZMLS-UONOGXRCSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000278041174 550742166 /nfs/dbraw/zinc/74/21/66/550742166.db2.gz CHSGTSZTOHZMLS-UONOGXRCSA-N 1 1 358.822 2.094 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000278600248 550802994 /nfs/dbraw/zinc/80/29/94/550802994.db2.gz FRIGIIOAMKTWQE-BLLLJJGKSA-N 1 1 374.445 2.343 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278786362 550821857 /nfs/dbraw/zinc/82/18/57/550821857.db2.gz YOSPEPJAODSIPL-HNNXBMFYSA-N 1 1 363.458 2.490 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510497 550898288 /nfs/dbraw/zinc/89/82/88/550898288.db2.gz UHFULMJGAREVSF-SMDDNHRTSA-N 1 1 352.410 2.212 20 5 FEBDMO COC(=O)c1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000281763589 551140333 /nfs/dbraw/zinc/14/03/33/551140333.db2.gz ZAGQADXJRVGCQG-UHFFFAOYSA-N 1 1 364.446 2.128 20 5 FEBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000282855573 551278262 /nfs/dbraw/zinc/27/82/62/551278262.db2.gz UYPNGYCIYKAGQB-CYBMUJFWSA-N 1 1 367.833 2.433 20 5 FEBDMO O=c1cc(C[N@@H+]2CC[C@@](O)(c3cn[nH]n3)C2)c2c(ccc3ccccc32)o1 ZINC000284889158 551659257 /nfs/dbraw/zinc/65/92/57/551659257.db2.gz SYASCDSKXSGOTO-FQEVSTJZSA-N 1 1 362.389 2.158 20 5 FEBDMO O=c1cc(C[N@H+]2CC[C@@](O)(c3c[nH]nn3)C2)c2c(ccc3ccccc32)o1 ZINC000284889158 551659259 /nfs/dbraw/zinc/65/92/59/551659259.db2.gz SYASCDSKXSGOTO-FQEVSTJZSA-N 1 1 362.389 2.158 20 5 FEBDMO O=c1cc(C[N@@H+]2CC[C@@](O)(c3c[nH]nn3)C2)c2c(ccc3ccccc32)o1 ZINC000284889158 551659261 /nfs/dbraw/zinc/65/92/61/551659261.db2.gz SYASCDSKXSGOTO-FQEVSTJZSA-N 1 1 362.389 2.158 20 5 FEBDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000498711806 561532490 /nfs/dbraw/zinc/53/24/90/561532490.db2.gz VOFZTUBAMSTTKN-CYBMUJFWSA-N 1 1 357.414 2.162 20 5 FEBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285251226 551726893 /nfs/dbraw/zinc/72/68/93/551726893.db2.gz IHLHDWQUQDMHPY-UHFFFAOYSA-N 1 1 357.414 2.302 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000285473562 551761976 /nfs/dbraw/zinc/76/19/76/551761976.db2.gz OAPGDXBDGZJVCF-MKXGPGLRSA-N 1 1 356.426 2.420 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285517296 551768616 /nfs/dbraw/zinc/76/86/16/551768616.db2.gz NZUMISYOOLMCFW-NNQSOWQGSA-N 1 1 362.430 2.099 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286729318 551919720 /nfs/dbraw/zinc/91/97/20/551919720.db2.gz FMFWFCGODQBGEH-LLVKDONJSA-N 1 1 350.448 2.037 20 5 FEBDMO CNC(=O)OC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000287002577 551950482 /nfs/dbraw/zinc/95/04/82/551950482.db2.gz QCLGVIJAWHLFEE-CYBMUJFWSA-N 1 1 364.402 2.134 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000288122441 552095091 /nfs/dbraw/zinc/09/50/91/552095091.db2.gz JIEFZCWZLVPCHJ-MRXNPFEDSA-N 1 1 364.446 2.010 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288211173 552111612 /nfs/dbraw/zinc/11/16/12/552111612.db2.gz TXEDGRYIKMKRMI-YIONKMFJSA-N 1 1 374.441 2.234 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288563332 552175874 /nfs/dbraw/zinc/17/58/74/552175874.db2.gz UCOHCDVREBIQPH-NSHDSACASA-N 1 1 353.444 2.492 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288563332 552175876 /nfs/dbraw/zinc/17/58/76/552175876.db2.gz UCOHCDVREBIQPH-NSHDSACASA-N 1 1 353.444 2.492 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)CCC[NH+]1CCCC1 ZINC000499915331 561561394 /nfs/dbraw/zinc/56/13/94/561561394.db2.gz XQPMEXYXYHKRHF-UHFFFAOYSA-N 1 1 364.446 2.350 20 5 FEBDMO COc1ccc(-c2ccc(C[NH2+][C@@H](C)C(=O)NCCF)o2)c([N+](=O)[O-])c1 ZINC000500425786 561572612 /nfs/dbraw/zinc/57/26/12/561572612.db2.gz GTWZOTXFPHIPMV-NSHDSACASA-N 1 1 365.361 2.427 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289795333 552379987 /nfs/dbraw/zinc/37/99/87/552379987.db2.gz HYLOFWTXAGBJOK-OAHLLOKOSA-N 1 1 373.413 2.384 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290808875 552541981 /nfs/dbraw/zinc/54/19/81/552541981.db2.gz QXUROIIBLIMMFF-XJKSGUPXSA-N 1 1 369.425 2.411 20 5 FEBDMO C[N@H+]1CC[C@](O)(CNC(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000501100199 561589947 /nfs/dbraw/zinc/58/99/47/561589947.db2.gz NSLVDZHOAZHQLJ-KRWDZBQOSA-N 1 1 350.419 2.080 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000291666458 552648800 /nfs/dbraw/zinc/64/88/00/552648800.db2.gz GBOOMNSKFSMZIF-CYBMUJFWSA-N 1 1 359.386 2.076 20 5 FEBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)C1 ZINC000501486807 561598568 /nfs/dbraw/zinc/59/85/68/561598568.db2.gz VESOKULBKTXKAR-ZDUSSCGKSA-N 1 1 373.413 2.301 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292574688 552739603 /nfs/dbraw/zinc/73/96/03/552739603.db2.gz BXHBHSNKOLNOEV-MRXNPFEDSA-N 1 1 363.414 2.311 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292574688 552739604 /nfs/dbraw/zinc/73/96/04/552739604.db2.gz BXHBHSNKOLNOEV-MRXNPFEDSA-N 1 1 363.414 2.311 20 5 FEBDMO O=C(NCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292682445 552749053 /nfs/dbraw/zinc/74/90/53/552749053.db2.gz MKEFULSGNUKZJK-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000292698562 552750418 /nfs/dbraw/zinc/75/04/18/552750418.db2.gz SRRQPTUCLBNGOY-MRXNPFEDSA-N 1 1 352.822 2.485 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000292725239 552752640 /nfs/dbraw/zinc/75/26/40/552752640.db2.gz GCUFLQFCLKGOTG-INIZCTEOSA-N 1 1 353.444 2.010 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293234518 552801793 /nfs/dbraw/zinc/80/17/93/552801793.db2.gz SLELLNZNHDFZBK-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293234518 552801795 /nfs/dbraw/zinc/80/17/95/552801795.db2.gz SLELLNZNHDFZBK-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294539188 552914116 /nfs/dbraw/zinc/91/41/16/552914116.db2.gz MRSJGMPJBUHXIW-LBPRGKRZSA-N 1 1 355.398 2.199 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000295288025 552982045 /nfs/dbraw/zinc/98/20/45/552982045.db2.gz AEQIENSBDJMCAH-GFCCVEGCSA-N 1 1 355.822 2.133 20 5 FEBDMO Cc1nc(NCc2ccc(C[NH+]3CCN(C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000296538056 553176377 /nfs/dbraw/zinc/17/63/77/553176377.db2.gz NSESSYJRYQGZCM-UHFFFAOYSA-N 1 1 356.430 2.053 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296653930 553193672 /nfs/dbraw/zinc/19/36/72/553193672.db2.gz FSEDZPRYRUVJKY-NSHDSACASA-N 1 1 356.810 2.217 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H](C)CN1CCN(C)CC1 ZINC000297222104 553265831 /nfs/dbraw/zinc/26/58/31/553265831.db2.gz STLVWFHVPVMABD-CYBMUJFWSA-N 1 1 359.430 2.199 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H](C)C[NH+]1CCN(C)CC1 ZINC000297222104 553265833 /nfs/dbraw/zinc/26/58/33/553265833.db2.gz STLVWFHVPVMABD-CYBMUJFWSA-N 1 1 359.430 2.199 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000297941948 553360259 /nfs/dbraw/zinc/36/02/59/553360259.db2.gz AJBBCFACBVKEAC-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025662 553373133 /nfs/dbraw/zinc/37/31/33/553373133.db2.gz DVHRRTAMXQWYTQ-JSGCOSHPSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025664 553373195 /nfs/dbraw/zinc/37/31/95/553373195.db2.gz DVHRRTAMXQWYTQ-OCCSQVGLSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000503424074 561641095 /nfs/dbraw/zinc/64/10/95/561641095.db2.gz FJIBUMIEGSSMCU-HUUCEWRRSA-N 1 1 369.487 2.320 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000503503370 561643155 /nfs/dbraw/zinc/64/31/55/561643155.db2.gz HGRYOFXQZPRCAI-UHFFFAOYSA-N 1 1 369.487 2.321 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000299145443 553521352 /nfs/dbraw/zinc/52/13/52/553521352.db2.gz QHPSSZBPRCWPCG-KGLIPLIRSA-N 1 1 372.429 2.026 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000299189102 553527632 /nfs/dbraw/zinc/52/76/32/553527632.db2.gz FBCAEIROGFHONQ-IIDMSEBBSA-N 1 1 361.442 2.238 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000299469476 553567463 /nfs/dbraw/zinc/56/74/63/553567463.db2.gz NTNZHTAUAAOKED-KGLIPLIRSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000299469476 553567464 /nfs/dbraw/zinc/56/74/64/553567464.db2.gz NTNZHTAUAAOKED-KGLIPLIRSA-N 1 1 362.430 2.160 20 5 FEBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000299483474 553569714 /nfs/dbraw/zinc/56/97/14/553569714.db2.gz GJVIZUFNZLSVHE-UHFFFAOYSA-N 1 1 359.430 2.258 20 5 FEBDMO Cc1c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000299556725 553580684 /nfs/dbraw/zinc/58/06/84/553580684.db2.gz XEDSENBKKPJAHP-UONOGXRCSA-N 1 1 362.386 2.476 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000504302703 561655968 /nfs/dbraw/zinc/65/59/68/561655968.db2.gz OKLBDQWPCQFKJY-CVEARBPZSA-N 1 1 373.457 2.053 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301364256 553645624 /nfs/dbraw/zinc/64/56/24/553645624.db2.gz PXKQLSXCUFPOMO-UHFFFAOYSA-N 1 1 366.219 2.417 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301897470 553689801 /nfs/dbraw/zinc/68/98/01/553689801.db2.gz RHCHNYRQVIETAX-CYBMUJFWSA-N 1 1 355.460 2.309 20 5 FEBDMO Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301960664 553694461 /nfs/dbraw/zinc/69/44/61/553694461.db2.gz MLDVETANRPFFOK-CQSZACIVSA-N 1 1 366.849 2.475 20 5 FEBDMO COc1cccc([C@H]2[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)CC[N@H+]2C2CC2)c1 ZINC000302031213 553699161 /nfs/dbraw/zinc/69/91/61/553699161.db2.gz IKWOTLZGEOGKOG-ZBFHGGJFSA-N 1 1 370.413 2.366 20 5 FEBDMO COc1cccc([C@H]2[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)CC[N@H+]2C2CC2)c1 ZINC000302031212 553699293 /nfs/dbraw/zinc/69/92/93/553699293.db2.gz IKWOTLZGEOGKOG-HOCLYGCPSA-N 1 1 370.413 2.366 20 5 FEBDMO Cc1nn(C)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1[N+](=O)[O-] ZINC000302798452 553733815 /nfs/dbraw/zinc/73/38/15/553733815.db2.gz RMCBHYSPWUWCCE-MRXNPFEDSA-N 1 1 359.430 2.340 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000505487761 561671911 /nfs/dbraw/zinc/67/19/11/561671911.db2.gz KCWQXNKIWGCHDX-UHFFFAOYSA-N 1 1 372.429 2.220 20 5 FEBDMO CCC(CC)[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000326519944 553781180 /nfs/dbraw/zinc/78/11/80/553781180.db2.gz DLVTVXVTNXBEDR-CQSZACIVSA-N 1 1 361.439 2.379 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1SC ZINC000330602808 554144508 /nfs/dbraw/zinc/14/45/08/554144508.db2.gz HIDVYONVVQBCHX-GHMZBOCLSA-N 1 1 353.444 2.490 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1SC ZINC000330602808 554144510 /nfs/dbraw/zinc/14/45/10/554144510.db2.gz HIDVYONVVQBCHX-GHMZBOCLSA-N 1 1 353.444 2.490 20 5 FEBDMO CC(C)[C@@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000331161339 554223929 /nfs/dbraw/zinc/22/39/29/554223929.db2.gz RCFDNVFSZLKSHX-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332034781 554367590 /nfs/dbraw/zinc/36/75/90/554367590.db2.gz JCEDNZQAFZNLIV-MRXNPFEDSA-N 1 1 362.430 2.165 20 5 FEBDMO CC(C)[C@H]1CN(C)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332034781 554367591 /nfs/dbraw/zinc/36/75/91/554367591.db2.gz JCEDNZQAFZNLIV-MRXNPFEDSA-N 1 1 362.430 2.165 20 5 FEBDMO CC(C)[C@H]1CN(C)CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000332034781 554367592 /nfs/dbraw/zinc/36/75/92/554367592.db2.gz JCEDNZQAFZNLIV-MRXNPFEDSA-N 1 1 362.430 2.165 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000509768146 561813197 /nfs/dbraw/zinc/81/31/97/561813197.db2.gz SJDVTIDTEXQTMB-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000509768146 561813198 /nfs/dbraw/zinc/81/31/98/561813198.db2.gz SJDVTIDTEXQTMB-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000332427485 554444471 /nfs/dbraw/zinc/44/44/71/554444471.db2.gz COJLSPMGRPUOGW-UHFFFAOYSA-N 1 1 364.427 2.434 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000332561849 554471770 /nfs/dbraw/zinc/47/17/70/554471770.db2.gz VPAOZSFNHPHABH-UHFFFAOYSA-N 1 1 360.458 2.192 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332572365 554474295 /nfs/dbraw/zinc/47/42/95/554474295.db2.gz DTNWCQWBJCPCIM-LSDHHAIUSA-N 1 1 367.471 2.459 20 5 FEBDMO COc1ccccc1CCNC(=O)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072381 561855676 /nfs/dbraw/zinc/85/56/76/561855676.db2.gz KAVOQKHLGRWBNR-UHFFFAOYSA-N 1 1 371.437 2.437 20 5 FEBDMO COc1ccccc1CCNC(=O)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511072381 561855677 /nfs/dbraw/zinc/85/56/77/561855677.db2.gz KAVOQKHLGRWBNR-UHFFFAOYSA-N 1 1 371.437 2.437 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+]2CCOCC2)c1 ZINC000511101087 561856888 /nfs/dbraw/zinc/85/68/88/561856888.db2.gz LJDDINQUBOLCJL-GFCCVEGCSA-N 1 1 353.444 2.157 20 5 FEBDMO CC1CC[NH+](Cc2nc(CC(=O)NCc3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000350996001 554828703 /nfs/dbraw/zinc/82/87/03/554828703.db2.gz QFKBGFJPKUHIBE-UHFFFAOYSA-N 1 1 373.413 2.069 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000359928370 554856709 /nfs/dbraw/zinc/85/67/09/554856709.db2.gz RJGDWWJSXALHRQ-SGQUHAKNSA-N 1 1 372.469 2.237 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000360521326 554878195 /nfs/dbraw/zinc/87/81/95/554878195.db2.gz BMUPIPUFZJEEFB-MRXNPFEDSA-N 1 1 369.425 2.335 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)[C@@H]1c1cccs1 ZINC000361390543 554920478 /nfs/dbraw/zinc/92/04/78/554920478.db2.gz GVEOTMPGYCIAAA-IINYFYTJSA-N 1 1 362.411 2.180 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361813403 554936213 /nfs/dbraw/zinc/93/62/13/554936213.db2.gz MLZCYNARBIPZAC-QWRGUYRKSA-N 1 1 364.358 2.328 20 5 FEBDMO CNC(=O)c1ccc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000361813538 554936228 /nfs/dbraw/zinc/93/62/28/554936228.db2.gz MEFJGFVNTDYXAT-GDBMZVCRSA-N 1 1 362.430 2.010 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nc(CN3CC[NH+]([C@H]4CCOC4)CC3)co2)cc1 ZINC000362031529 554945299 /nfs/dbraw/zinc/94/52/99/554945299.db2.gz BNVMSUHQBVXAAT-KRWDZBQOSA-N 1 1 358.398 2.156 20 5 FEBDMO COc1cc(C[NH+]2CCC(C(=O)NC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000362100226 554949453 /nfs/dbraw/zinc/94/94/53/554949453.db2.gz VNBOGFVLVYCSJB-UHFFFAOYSA-N 1 1 363.414 2.103 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363632845 555150970 /nfs/dbraw/zinc/15/09/70/555150970.db2.gz JRBVFUAHOIEYFE-SJORKVTESA-N 1 1 360.414 2.009 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000363632845 555150972 /nfs/dbraw/zinc/15/09/72/555150972.db2.gz JRBVFUAHOIEYFE-SJORKVTESA-N 1 1 360.414 2.009 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000364057360 555242164 /nfs/dbraw/zinc/24/21/64/555242164.db2.gz RNEWEVOXMTWMQT-GFCCVEGCSA-N 1 1 354.370 2.163 20 5 FEBDMO Cc1cc(C)n2c(C[N@@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)cnc2n1 ZINC000364341087 555294884 /nfs/dbraw/zinc/29/48/84/555294884.db2.gz SYNASOBCILBUED-AWEZNQCLSA-N 1 1 355.402 2.288 20 5 FEBDMO Cc1cc(C)n2c(C[N@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)cnc2n1 ZINC000364341087 555294886 /nfs/dbraw/zinc/29/48/86/555294886.db2.gz SYNASOBCILBUED-AWEZNQCLSA-N 1 1 355.402 2.288 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCN(c2ncccn2)CC1 ZINC000364369064 555300484 /nfs/dbraw/zinc/30/04/84/555300484.db2.gz AEYXPBJYRGSJPQ-UHFFFAOYSA-N 1 1 357.414 2.364 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364570716 555341472 /nfs/dbraw/zinc/34/14/72/555341472.db2.gz QUJXJMUFCQIKNN-YJBOKZPZSA-N 1 1 370.409 2.421 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512821315 561916925 /nfs/dbraw/zinc/91/69/25/561916925.db2.gz BHFXDSXCOOMYQB-LLVKDONJSA-N 1 1 373.356 2.493 20 5 FEBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365540089 555603013 /nfs/dbraw/zinc/60/30/13/555603013.db2.gz QQHGUUIZXSUSGI-QANKJYHBSA-N 1 1 358.442 2.217 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365550000 555606267 /nfs/dbraw/zinc/60/62/67/555606267.db2.gz SNKBPUVQYFMSOF-HFTRVMKXSA-N 1 1 358.442 2.258 20 5 FEBDMO Cc1c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365555975 555607599 /nfs/dbraw/zinc/60/75/99/555607599.db2.gz WWXUNODSELMVBR-VBNZEHGJSA-N 1 1 374.397 2.368 20 5 FEBDMO Cc1c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365555973 555607991 /nfs/dbraw/zinc/60/79/91/555607991.db2.gz WWXUNODSELMVBR-MAZHCROVSA-N 1 1 374.397 2.368 20 5 FEBDMO Cc1cc(N2CCC(N(C)C(=O)c3ccc([N+](=O)[O-])cn3)CC2)nc(C)[nH+]1 ZINC000366146429 555764576 /nfs/dbraw/zinc/76/45/76/555764576.db2.gz YBZOJXBQLBYTLO-UHFFFAOYSA-N 1 1 370.413 2.138 20 5 FEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000366281937 555800632 /nfs/dbraw/zinc/80/06/32/555800632.db2.gz CQQZQWRPTUJZCE-QZTJIDSGSA-N 1 1 361.442 2.287 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000514095603 561960405 /nfs/dbraw/zinc/96/04/05/561960405.db2.gz RRVIQOCTKALRJJ-KRWDZBQOSA-N 1 1 357.414 2.020 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(F)cc1 ZINC000366809891 555940069 /nfs/dbraw/zinc/94/00/69/555940069.db2.gz VNLNFLNRUIVQQY-PBHICJAKSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(F)cc1 ZINC000366809891 555940072 /nfs/dbraw/zinc/94/00/72/555940072.db2.gz VNLNFLNRUIVQQY-PBHICJAKSA-N 1 1 358.373 2.491 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000367325025 556018250 /nfs/dbraw/zinc/01/82/50/556018250.db2.gz AHMYDASLQVNWOV-CQSZACIVSA-N 1 1 352.822 2.167 20 5 FEBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000367645168 556104035 /nfs/dbraw/zinc/10/40/35/556104035.db2.gz PHZYZKZIBQZAPU-UHFFFAOYSA-N 1 1 358.383 2.062 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000367783118 556137861 /nfs/dbraw/zinc/13/78/61/556137861.db2.gz KMFBCNXWTLEUOG-OAHLLOKOSA-N 1 1 355.398 2.150 20 5 FEBDMO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000368657273 556375704 /nfs/dbraw/zinc/37/57/04/556375704.db2.gz AUBQQZCDHPRZGR-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO COC[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000368657273 556375706 /nfs/dbraw/zinc/37/57/06/556375706.db2.gz AUBQQZCDHPRZGR-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368692216 556386911 /nfs/dbraw/zinc/38/69/11/556386911.db2.gz MFQRWYVJYHXCDA-IAGOWNOFSA-N 1 1 355.442 2.282 20 5 FEBDMO Cc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368975999 556465399 /nfs/dbraw/zinc/46/53/99/556465399.db2.gz SRXRPVHXDLTUBE-HNNXBMFYSA-N 1 1 371.441 2.253 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(c2cnccn2)CC1 ZINC000369307341 556570239 /nfs/dbraw/zinc/57/02/39/556570239.db2.gz VVDMRADXACDGBW-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369669371 556664430 /nfs/dbraw/zinc/66/44/30/556664430.db2.gz ZOXUWLPXDLPHMH-SZMVWBNQSA-N 1 1 358.442 2.263 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000369697717 556671455 /nfs/dbraw/zinc/67/14/55/556671455.db2.gz ZUUQEIQALQLMMA-ZDUSSCGKSA-N 1 1 373.413 2.464 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H](Nc3ncccn3)C2)c([N+](=O)[O-])cc1OC ZINC000516571145 562048870 /nfs/dbraw/zinc/04/88/70/562048870.db2.gz PNHORJDCNKUKEV-ZDUSSCGKSA-N 1 1 359.386 2.088 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](Nc3ncccn3)C2)c([N+](=O)[O-])cc1OC ZINC000516571145 562048871 /nfs/dbraw/zinc/04/88/71/562048871.db2.gz PNHORJDCNKUKEV-ZDUSSCGKSA-N 1 1 359.386 2.088 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@H]2CCC[N@H+]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000370198405 556808148 /nfs/dbraw/zinc/80/81/48/556808148.db2.gz SDELRRWILXLKEA-MRXNPFEDSA-N 1 1 371.441 2.074 20 5 FEBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000370554611 556907893 /nfs/dbraw/zinc/90/78/93/556907893.db2.gz CYXPDMJSQRQWBU-RDJZCZTQSA-N 1 1 362.430 2.037 20 5 FEBDMO O=C1C[C@H]([N@@H+]2CCCC3(CCOCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000516906467 562063768 /nfs/dbraw/zinc/06/37/68/562063768.db2.gz BZZROFVWINJFEP-INIZCTEOSA-N 1 1 373.409 2.119 20 5 FEBDMO O=C1C[C@H]([N@H+]2CCCC3(CCOCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000516906467 562063770 /nfs/dbraw/zinc/06/37/70/562063770.db2.gz BZZROFVWINJFEP-INIZCTEOSA-N 1 1 373.409 2.119 20 5 FEBDMO Cn1cc([C@@H]2[C@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC[N@H+]2C)cn1 ZINC000370930376 557020388 /nfs/dbraw/zinc/02/03/88/557020388.db2.gz ZZEGLYNTAKSRLJ-KXBFYZLASA-N 1 1 371.441 2.070 20 5 FEBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000371125896 557082378 /nfs/dbraw/zinc/08/23/78/557082378.db2.gz CZOCPMVHUGYXIR-AWEZNQCLSA-N 1 1 358.398 2.424 20 5 FEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000371130203 557083860 /nfs/dbraw/zinc/08/38/60/557083860.db2.gz PAKJSBUVNLUQAU-CQSZACIVSA-N 1 1 357.414 2.457 20 5 FEBDMO Cc1[nH+]c(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2n1CCCC2 ZINC000371305460 557139522 /nfs/dbraw/zinc/13/95/22/557139522.db2.gz MZANAWYECZXFTR-UHFFFAOYSA-N 1 1 364.427 2.056 20 5 FEBDMO COc1ccc(CSCC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000517403956 562089093 /nfs/dbraw/zinc/08/90/93/562089093.db2.gz KFWHJADVEOKODD-ZDUSSCGKSA-N 1 1 365.455 2.190 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000517569839 562092764 /nfs/dbraw/zinc/09/27/64/562092764.db2.gz MGOUIPXISIVUGV-ZFWWWQNUSA-N 1 1 364.446 2.044 20 5 FEBDMO CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000518562522 562114513 /nfs/dbraw/zinc/11/45/13/562114513.db2.gz JWKPFBOXQTXXTE-UHFFFAOYSA-N 1 1 352.410 2.103 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N(C1CC1)C1CCCC1 ZINC000372274675 557427321 /nfs/dbraw/zinc/42/73/21/557427321.db2.gz RQPVNGNYQRYKTH-INIZCTEOSA-N 1 1 361.446 2.362 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N(C1CC1)C1CCCC1 ZINC000372274675 557427324 /nfs/dbraw/zinc/42/73/24/557427324.db2.gz RQPVNGNYQRYKTH-INIZCTEOSA-N 1 1 361.446 2.362 20 5 FEBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000372333764 557443033 /nfs/dbraw/zinc/44/30/33/557443033.db2.gz PJALTZBXYPHPCW-ZFWWWQNUSA-N 1 1 371.397 2.135 20 5 FEBDMO CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000372596894 557515853 /nfs/dbraw/zinc/51/58/53/557515853.db2.gz VSGUFXGRYGVMSP-MPYYAJLASA-N 1 1 351.378 2.440 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1 ZINC000372770151 557559143 /nfs/dbraw/zinc/55/91/43/557559143.db2.gz RDQHZAVCBBVFSS-MRXNPFEDSA-N 1 1 355.442 2.359 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CCN(C)C3=O)CC2)cccc1[N+](=O)[O-] ZINC000373173520 557643540 /nfs/dbraw/zinc/64/35/40/557643540.db2.gz OSMCDYROUQJVFQ-CQSZACIVSA-N 1 1 374.441 2.175 20 5 FEBDMO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581222 557722253 /nfs/dbraw/zinc/72/22/53/557722253.db2.gz DVBRGBZVKHTSIF-WMZOPIPTSA-N 1 1 374.441 2.485 20 5 FEBDMO O=C1O[C@H](C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CN1c1ccccc1 ZINC000373586507 557723727 /nfs/dbraw/zinc/72/37/27/557723727.db2.gz SSYIBJMPESISCM-DOTOQJQBSA-N 1 1 371.397 2.454 20 5 FEBDMO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C3)n1 ZINC000373663085 557733507 /nfs/dbraw/zinc/73/35/07/557733507.db2.gz ODAMZBCBAIZOMP-CXAGYDPISA-N 1 1 360.418 2.351 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCCC[C@H](CO)C1 ZINC000374042287 557812814 /nfs/dbraw/zinc/81/28/14/557812814.db2.gz KXVYNCUDMOZGHV-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCCC[C@H](CO)C1 ZINC000374042287 557812815 /nfs/dbraw/zinc/81/28/15/557812815.db2.gz KXVYNCUDMOZGHV-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000374355542 557870838 /nfs/dbraw/zinc/87/08/38/557870838.db2.gz YURAENOSNXZDKR-SECBINFHSA-N 1 1 352.192 2.480 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000374368428 557872887 /nfs/dbraw/zinc/87/28/87/557872887.db2.gz TUQFRPOQHPGVDB-RDJZCZTQSA-N 1 1 350.415 2.083 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550188 557898365 /nfs/dbraw/zinc/89/83/65/557898365.db2.gz HPRUKOJYYVAODU-OLZOCXBDSA-N 1 1 362.352 2.207 20 5 FEBDMO C[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H](c2ccccc2)C1 ZINC000374767221 557928141 /nfs/dbraw/zinc/92/81/41/557928141.db2.gz NQCFJORONNKHND-CZUORRHYSA-N 1 1 358.373 2.144 20 5 FEBDMO O=C(NC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1)C1CCOCC1 ZINC000374779499 557929946 /nfs/dbraw/zinc/92/99/46/557929946.db2.gz PITBJSKDSSVODG-UHFFFAOYSA-N 1 1 365.405 2.241 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000374854528 557941328 /nfs/dbraw/zinc/94/13/28/557941328.db2.gz GBXHTLJWVASMDP-AWEZNQCLSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000374854528 557941329 /nfs/dbraw/zinc/94/13/29/557941329.db2.gz GBXHTLJWVASMDP-AWEZNQCLSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1ccc(C[NH+]2CCC(N3C(=O)CCCC3=O)CC2)cc1[N+](=O)[O-] ZINC000375318536 558008354 /nfs/dbraw/zinc/00/83/54/558008354.db2.gz KHMGLPOFHUROPO-UHFFFAOYSA-N 1 1 361.398 2.107 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000375391344 558020064 /nfs/dbraw/zinc/02/00/64/558020064.db2.gz KYLROPCWNJRHRS-IBGZPJMESA-N 1 1 355.394 2.278 20 5 FEBDMO CC(C)N1CCN([C@@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375887113 558093859 /nfs/dbraw/zinc/09/38/59/558093859.db2.gz BVVGGQLARIFQRV-GOSISDBHSA-N 1 1 362.474 2.074 20 5 FEBDMO CC(C)N1CCN([C@@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375887113 558093860 /nfs/dbraw/zinc/09/38/60/558093860.db2.gz BVVGGQLARIFQRV-GOSISDBHSA-N 1 1 362.474 2.074 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000375926273 558100810 /nfs/dbraw/zinc/10/08/10/558100810.db2.gz FMZJBJXBULTAEJ-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000375926273 558100812 /nfs/dbraw/zinc/10/08/12/558100812.db2.gz FMZJBJXBULTAEJ-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO CN(C)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000375968706 558107234 /nfs/dbraw/zinc/10/72/34/558107234.db2.gz NNLIWZLPTPDGJK-AWEZNQCLSA-N 1 1 357.414 2.399 20 5 FEBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000376201829 558140142 /nfs/dbraw/zinc/14/01/42/558140142.db2.gz XUMVWIPVHXQTRS-WCQYABFASA-N 1 1 357.357 2.496 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000376450655 558174873 /nfs/dbraw/zinc/17/48/73/558174873.db2.gz SUVCDANCQUFUPJ-VXGBXAGGSA-N 1 1 363.443 2.025 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000521717123 562182735 /nfs/dbraw/zinc/18/27/35/562182735.db2.gz OYXMNULIYYQLGP-RYUDHWBXSA-N 1 1 355.822 2.474 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)n1 ZINC000376802356 558223420 /nfs/dbraw/zinc/22/34/20/558223420.db2.gz ANAMAOUFTWVAIE-GFCCVEGCSA-N 1 1 371.319 2.358 20 5 FEBDMO O=C(C[NH+]1CCC(c2cn[nH]c2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000377499315 558351934 /nfs/dbraw/zinc/35/19/34/558351934.db2.gz YXOWXAUGXQUTSY-UHFFFAOYSA-N 1 1 355.398 2.087 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377626874 558380021 /nfs/dbraw/zinc/38/00/21/558380021.db2.gz KYDQUWLEJRGYNZ-GOSISDBHSA-N 1 1 365.430 2.272 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535187 562199514 /nfs/dbraw/zinc/19/95/14/562199514.db2.gz VBLJIABGXCLCQW-OLZOCXBDSA-N 1 1 351.451 2.177 20 5 FEBDMO Cc1nn(CCC(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303264 558524441 /nfs/dbraw/zinc/52/44/41/558524441.db2.gz CIPSJWACQMXROL-IAGOWNOFSA-N 1 1 371.441 2.012 20 5 FEBDMO CC(C)[N@@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000523863131 562220946 /nfs/dbraw/zinc/22/09/46/562220946.db2.gz OLYTZYULHUYVBW-UHFFFAOYSA-N 1 1 370.475 2.131 20 5 FEBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408086233 558645081 /nfs/dbraw/zinc/64/50/81/558645081.db2.gz HJFFDAILOFVIIG-HUUCEWRRSA-N 1 1 360.458 2.362 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])n2C)cc1F ZINC000409453832 558693402 /nfs/dbraw/zinc/69/34/02/558693402.db2.gz ARUKBWUYCVNOFG-UHFFFAOYSA-N 1 1 357.345 2.497 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524737077 562233522 /nfs/dbraw/zinc/23/35/22/562233522.db2.gz FPKFBPZPJNBACQ-GXTWGEPZSA-N 1 1 357.414 2.208 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1OC ZINC000525060819 562239997 /nfs/dbraw/zinc/23/99/97/562239997.db2.gz ZRNHCOCNUVSOOZ-CYBMUJFWSA-N 1 1 363.414 2.359 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000525385597 562246963 /nfs/dbraw/zinc/24/69/63/562246963.db2.gz CJSBUOTVBNKJHG-UONOGXRCSA-N 1 1 355.460 2.397 20 5 FEBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc([N+](=O)[O-])c1OC ZINC000525500809 562249595 /nfs/dbraw/zinc/24/95/95/562249595.db2.gz YBHPKPUKTRPPIV-CQSZACIVSA-N 1 1 351.403 2.024 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc([N+](=O)[O-])c1OC ZINC000525500809 562249596 /nfs/dbraw/zinc/24/95/96/562249596.db2.gz YBHPKPUKTRPPIV-CQSZACIVSA-N 1 1 351.403 2.024 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411831445 558972220 /nfs/dbraw/zinc/97/22/20/558972220.db2.gz BGFGUJUKVUVGIX-ZDUSSCGKSA-N 1 1 353.444 2.156 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412046984 559006390 /nfs/dbraw/zinc/00/63/90/559006390.db2.gz OIENCAHPZCKIIU-GUTXKFCHSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412076053 559010021 /nfs/dbraw/zinc/01/00/21/559010021.db2.gz JJBGLKXNNIHUEU-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1ccc(NCCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)[nH+]c1 ZINC000412119186 559015486 /nfs/dbraw/zinc/01/54/86/559015486.db2.gz JSWBIGKQMMTSLK-DLBZAZTESA-N 1 1 354.410 3.020 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1F ZINC000412133898 559016251 /nfs/dbraw/zinc/01/62/51/559016251.db2.gz ZGLKDYLSPQHUGA-OLZOCXBDSA-N 1 1 365.405 2.370 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(F)c1 ZINC000413152947 559083559 /nfs/dbraw/zinc/08/35/59/559083559.db2.gz JNIBNHXXZVJZBC-PBHICJAKSA-N 1 1 360.389 2.424 20 5 FEBDMO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000413535774 559114979 /nfs/dbraw/zinc/11/49/79/559114979.db2.gz UPNHKZMAOTWRQR-CQSZACIVSA-N 1 1 354.410 2.404 20 5 FEBDMO COC(=O)[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[N@@H+](C)C1 ZINC000414484828 559168234 /nfs/dbraw/zinc/16/82/34/559168234.db2.gz HFNGJSBPLOWHDQ-OAHLLOKOSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@@H]1CN(C)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414484828 559168236 /nfs/dbraw/zinc/16/82/36/559168236.db2.gz HFNGJSBPLOWHDQ-OAHLLOKOSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@@H]1CN(C)CC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414484828 559168237 /nfs/dbraw/zinc/16/82/37/559168237.db2.gz HFNGJSBPLOWHDQ-OAHLLOKOSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000414554237 559171330 /nfs/dbraw/zinc/17/13/30/559171330.db2.gz GQUSEDJAEZXFOJ-KRWDZBQOSA-N 1 1 352.387 2.387 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000414554237 559171331 /nfs/dbraw/zinc/17/13/31/559171331.db2.gz GQUSEDJAEZXFOJ-KRWDZBQOSA-N 1 1 352.387 2.387 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416304449 559304477 /nfs/dbraw/zinc/30/44/77/559304477.db2.gz HYADZUZKEUKKFP-YQQAZPJKSA-N 1 1 363.458 2.077 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416304449 559304478 /nfs/dbraw/zinc/30/44/78/559304478.db2.gz HYADZUZKEUKKFP-YQQAZPJKSA-N 1 1 363.458 2.077 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000417157949 559350450 /nfs/dbraw/zinc/35/04/50/559350450.db2.gz VLOVTKXKCUYTKE-CHWSQXEVSA-N 1 1 350.419 2.076 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000417157949 559350451 /nfs/dbraw/zinc/35/04/51/559350451.db2.gz VLOVTKXKCUYTKE-CHWSQXEVSA-N 1 1 350.419 2.076 20 5 FEBDMO CN(C)C(=O)c1ccccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000417796202 559376757 /nfs/dbraw/zinc/37/67/57/559376757.db2.gz RUQJSHPSCLRBOP-HNNXBMFYSA-N 1 1 369.425 2.378 20 5 FEBDMO CC1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000420451467 559488099 /nfs/dbraw/zinc/48/80/99/559488099.db2.gz QRBDDOKJMVTUBI-UHFFFAOYSA-N 1 1 368.242 2.322 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2C[NH2+]1 ZINC000420454800 559488417 /nfs/dbraw/zinc/48/84/17/559488417.db2.gz DULDKQJRVUCDDN-JTQLQIEISA-N 1 1 353.425 2.343 20 5 FEBDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019013 559520039 /nfs/dbraw/zinc/52/00/39/559520039.db2.gz NAJIDJHPUPUWIS-ZIAGYGMSSA-N 1 1 365.430 2.056 20 5 FEBDMO CCCN1C[C@@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421353273 559539894 /nfs/dbraw/zinc/53/98/94/559539894.db2.gz PBXCXISSJLIGON-RDTXWAMCSA-N 1 1 371.441 2.266 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423958305 559647941 /nfs/dbraw/zinc/64/79/41/559647941.db2.gz QJHLHVSMOZVWMB-MRXNPFEDSA-N 1 1 360.801 2.359 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504070 559706302 /nfs/dbraw/zinc/70/63/02/559706302.db2.gz UWFKMFYAPUYRNC-KGLIPLIRSA-N 1 1 358.402 2.159 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504070 559706303 /nfs/dbraw/zinc/70/63/03/559706303.db2.gz UWFKMFYAPUYRNC-KGLIPLIRSA-N 1 1 358.402 2.159 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000425539445 559708678 /nfs/dbraw/zinc/70/86/78/559708678.db2.gz KAEJEHIPCWRTRN-UHFFFAOYSA-N 1 1 362.430 2.372 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000427290657 559752299 /nfs/dbraw/zinc/75/22/99/559752299.db2.gz BNRUMZNSDSCQEH-UHFFFAOYSA-N 1 1 365.356 2.445 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000428264664 559772502 /nfs/dbraw/zinc/77/25/02/559772502.db2.gz DKJPKQYQCTUFIQ-UHFFFAOYSA-N 1 1 353.386 2.352 20 5 FEBDMO COc1c(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428529638 559777367 /nfs/dbraw/zinc/77/73/67/559777367.db2.gz HOOIREVVRXPFPQ-OAHLLOKOSA-N 1 1 371.393 2.422 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C(C)C ZINC000429381490 559797380 /nfs/dbraw/zinc/79/73/80/559797380.db2.gz WERYBIPMEDLUDQ-HOTGVXAUSA-N 1 1 364.398 2.481 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNc2c(Br)cncc2[N+](=O)[O-])CCCO1 ZINC000432862361 559866584 /nfs/dbraw/zinc/86/65/84/559866584.db2.gz DSJPMLJFNSUOPM-LLVKDONJSA-N 1 1 373.251 2.087 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000433371795 559878906 /nfs/dbraw/zinc/87/89/06/559878906.db2.gz FRQOLRKTBOIDON-YOEHRIQHSA-N 1 1 357.414 2.093 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000439886400 560001437 /nfs/dbraw/zinc/00/14/37/560001437.db2.gz GAOCSGAOPVWOET-CYBMUJFWSA-N 1 1 366.418 2.083 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000441201018 560026160 /nfs/dbraw/zinc/02/61/60/560026160.db2.gz DCJXMMFMINYOHJ-RLFYNMQTSA-N 1 1 359.426 2.449 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000443063243 560068622 /nfs/dbraw/zinc/06/86/22/560068622.db2.gz DBGKMJHICPRHDK-TZMCWYRMSA-N 1 1 352.387 2.146 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443342031 560081175 /nfs/dbraw/zinc/08/11/75/560081175.db2.gz DHLLDCKFJFKFAZ-HUBLWGQQSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443342031 560081176 /nfs/dbraw/zinc/08/11/76/560081176.db2.gz DHLLDCKFJFKFAZ-HUBLWGQQSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000444936571 560125007 /nfs/dbraw/zinc/12/50/07/560125007.db2.gz LTAZEUVSOGHIJW-BETUJISGSA-N 1 1 366.418 2.224 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447925553 560173259 /nfs/dbraw/zinc/17/32/59/560173259.db2.gz JBKIITKGWLRRBH-OAHLLOKOSA-N 1 1 355.460 2.302 20 5 FEBDMO COC(=O)Cc1ccc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c([N+](=O)[O-])c1 ZINC000450223033 560254406 /nfs/dbraw/zinc/25/44/06/560254406.db2.gz ITHZLKPBYDQLLO-HNNXBMFYSA-N 1 1 365.430 2.079 20 5 FEBDMO O=[N+]([O-])c1cnc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(Br)c1 ZINC000450790324 560273343 /nfs/dbraw/zinc/27/33/43/560273343.db2.gz JWIXVJRAPGXFOW-PHIMTYICSA-N 1 1 357.208 2.027 20 5 FEBDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545199 560313520 /nfs/dbraw/zinc/31/35/20/560313520.db2.gz HABVVNYHVVASGT-OCCSQVGLSA-N 1 1 360.414 2.151 20 5 FEBDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545199 560313521 /nfs/dbraw/zinc/31/35/21/560313521.db2.gz HABVVNYHVVASGT-OCCSQVGLSA-N 1 1 360.414 2.151 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563101 560315004 /nfs/dbraw/zinc/31/50/04/560315004.db2.gz JORYWBQPOJIWHQ-MQIPJXDCSA-N 1 1 351.403 2.287 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563101 560315005 /nfs/dbraw/zinc/31/50/05/560315005.db2.gz JORYWBQPOJIWHQ-MQIPJXDCSA-N 1 1 351.403 2.287 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000452108840 560351717 /nfs/dbraw/zinc/35/17/17/560351717.db2.gz WLFJWYVKEVPQTK-HNNXBMFYSA-N 1 1 355.460 2.260 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CCCO)C1 ZINC000452115442 560352155 /nfs/dbraw/zinc/35/21/55/560352155.db2.gz BQPNZAGAOZRIPU-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO C[C@@H]1CN(C(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+](C2CC2)C1 ZINC000452581821 560368342 /nfs/dbraw/zinc/36/83/42/560368342.db2.gz UNJDLACKDMGLES-NSHDSACASA-N 1 1 353.369 2.358 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000454107737 560429803 /nfs/dbraw/zinc/42/98/03/560429803.db2.gz RQCAOKYDBRWYFZ-HNNXBMFYSA-N 1 1 362.430 2.037 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000454943102 560464445 /nfs/dbraw/zinc/46/44/45/560464445.db2.gz OJUFQMFLQYGFOG-BETUJISGSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000454943102 560464444 /nfs/dbraw/zinc/46/44/44/560464444.db2.gz OJUFQMFLQYGFOG-BETUJISGSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000455145233 560471722 /nfs/dbraw/zinc/47/17/22/560471722.db2.gz RJROQZQVTAOIJP-AWEZNQCLSA-N 1 1 350.419 2.180 20 5 FEBDMO CNc1nc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000455994611 560503890 /nfs/dbraw/zinc/50/38/90/560503890.db2.gz IABQTNGCGCMOTR-XJKSGUPXSA-N 1 1 355.398 2.207 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457899751 560593174 /nfs/dbraw/zinc/59/31/74/560593174.db2.gz KFMMRVGLMYQVEV-HNNXBMFYSA-N 1 1 350.419 2.228 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000457919277 560594112 /nfs/dbraw/zinc/59/41/12/560594112.db2.gz HZGQRMIKUCEHGI-CQSZACIVSA-N 1 1 350.419 2.229 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000458161524 560606141 /nfs/dbraw/zinc/60/61/41/560606141.db2.gz HFMIVZFJSTXFBX-GFCCVEGCSA-N 1 1 358.398 2.310 20 5 FEBDMO COc1cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1OC ZINC000458178861 560607128 /nfs/dbraw/zinc/60/71/28/560607128.db2.gz XFKGQYNTHOTITI-GFCCVEGCSA-N 1 1 351.403 2.074 20 5 FEBDMO CC[C@@H](NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514707 560628772 /nfs/dbraw/zinc/62/87/72/560628772.db2.gz RLIWCSKMIAYFGW-DOTOQJQBSA-N 1 1 364.446 2.192 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457474 560772151 /nfs/dbraw/zinc/77/21/51/560772151.db2.gz TZHHNAZGOFPYST-JKSUJKDBSA-N 1 1 369.425 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457474 560772153 /nfs/dbraw/zinc/77/21/53/560772153.db2.gz TZHHNAZGOFPYST-JKSUJKDBSA-N 1 1 369.425 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457474 560772155 /nfs/dbraw/zinc/77/21/55/560772155.db2.gz TZHHNAZGOFPYST-JKSUJKDBSA-N 1 1 369.425 2.220 20 5 FEBDMO CC[NH+]1CCN(C(=O)CNc2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000461774321 560782603 /nfs/dbraw/zinc/78/26/03/560782603.db2.gz GIIYRVDCRRIPFZ-UHFFFAOYSA-N 1 1 374.363 2.498 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000467050086 560902342 /nfs/dbraw/zinc/90/23/42/560902342.db2.gz WQASMQDKQMHCKO-VXGBXAGGSA-N 1 1 359.473 2.070 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467143092 560904720 /nfs/dbraw/zinc/90/47/20/560904720.db2.gz XKTSCTOLIVDBEC-CYBMUJFWSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467143092 560904721 /nfs/dbraw/zinc/90/47/21/560904721.db2.gz XKTSCTOLIVDBEC-CYBMUJFWSA-N 1 1 351.403 2.433 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000468635757 560934562 /nfs/dbraw/zinc/93/45/62/560934562.db2.gz STFNGBWQBIIXGY-JMPLCFMRSA-N 1 1 360.458 2.175 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000468635757 560934563 /nfs/dbraw/zinc/93/45/63/560934563.db2.gz STFNGBWQBIIXGY-JMPLCFMRSA-N 1 1 360.458 2.175 20 5 FEBDMO C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105888 560974582 /nfs/dbraw/zinc/97/45/82/560974582.db2.gz RIYNAVJCNBKPJI-ZIAGYGMSSA-N 1 1 367.421 2.455 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000470176337 560976106 /nfs/dbraw/zinc/97/61/06/560976106.db2.gz WBRMAUXOYZIZJC-SCZPIIQISA-N 1 1 367.471 2.259 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000470673092 560987118 /nfs/dbraw/zinc/98/71/18/560987118.db2.gz FGAVOXJQULAHNT-HNNXBMFYSA-N 1 1 357.414 2.383 20 5 FEBDMO C[C@@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000472559879 561029263 /nfs/dbraw/zinc/02/92/63/561029263.db2.gz HWEPMXTWSQBIKP-NEPJUHHUSA-N 1 1 366.393 2.052 20 5 FEBDMO C[N@H+]1CC[C@H](Cn2nnnc2Sc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473514992 561051619 /nfs/dbraw/zinc/05/16/19/561051619.db2.gz ZMSRAMRSEPBZBB-NSHDSACASA-N 1 1 371.426 2.232 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476625215 561124730 /nfs/dbraw/zinc/12/47/30/561124730.db2.gz AYPRMKQOZYCWDV-CQSZACIVSA-N 1 1 363.462 2.445 20 5 FEBDMO O=C(C[N@H+]1CCC[C@]2(CCCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000477065081 561135740 /nfs/dbraw/zinc/13/57/40/561135740.db2.gz KZQQBXIBVLBHDP-IBGZPJMESA-N 1 1 359.426 2.377 20 5 FEBDMO O=[N+]([O-])c1c(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)nc2sccn21 ZINC000531911073 562460996 /nfs/dbraw/zinc/46/09/96/562460996.db2.gz QQQPBBNMTNNWAB-VXGBXAGGSA-N 1 1 351.432 2.359 20 5 FEBDMO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000533303124 562504417 /nfs/dbraw/zinc/50/44/17/562504417.db2.gz FQRANZXEOXJZON-CYBMUJFWSA-N 1 1 352.822 2.355 20 5 FEBDMO C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccccc1[N+](=O)[O-] ZINC000537159696 562586829 /nfs/dbraw/zinc/58/68/29/562586829.db2.gz GSXRBFLRBAFWQL-CQSZACIVSA-N 1 1 371.441 2.418 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000541192131 562605500 /nfs/dbraw/zinc/60/55/00/562605500.db2.gz ALZHNBQCZRFMIB-LBPRGKRZSA-N 1 1 373.500 2.228 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c2c(c1)COCO2 ZINC000541378225 562610791 /nfs/dbraw/zinc/61/07/91/562610791.db2.gz KGDYJMWWIUOQBR-UHFFFAOYSA-N 1 1 364.398 2.090 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCOCC3(CCOCC3)C2)c2c(c1)COCO2 ZINC000541378225 562610792 /nfs/dbraw/zinc/61/07/92/562610792.db2.gz KGDYJMWWIUOQBR-UHFFFAOYSA-N 1 1 364.398 2.090 20 5 FEBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000549729414 562638603 /nfs/dbraw/zinc/63/86/03/562638603.db2.gz KZPKQKALGYLBPT-UHFFFAOYSA-N 1 1 357.414 2.419 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[N@H+](CC2CCC2)CC1 ZINC000549729414 562638604 /nfs/dbraw/zinc/63/86/04/562638604.db2.gz KZPKQKALGYLBPT-UHFFFAOYSA-N 1 1 357.414 2.419 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000549729414 562638605 /nfs/dbraw/zinc/63/86/05/562638605.db2.gz KZPKQKALGYLBPT-UHFFFAOYSA-N 1 1 357.414 2.419 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)C2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000568446476 568038762 /nfs/dbraw/zinc/03/87/62/568038762.db2.gz LIPYDYNQRBYZBH-UHFFFAOYSA-N 1 1 366.414 2.130 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000569109338 568277709 /nfs/dbraw/zinc/27/77/09/568277709.db2.gz ZKDXULBLDAFNPG-ODHXBGJQSA-N 1 1 357.414 2.419 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000570244574 568465966 /nfs/dbraw/zinc/46/59/66/568465966.db2.gz PVHYTGLHBVOAKD-KBPBESRZSA-N 1 1 367.471 2.450 20 5 FEBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000556875636 674425592 /nfs/dbraw/zinc/42/55/92/674425592.db2.gz AHNJMEDVLMQZCA-CQSZACIVSA-N 1 1 355.460 2.219 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736264021 598500689 /nfs/dbraw/zinc/50/06/89/598500689.db2.gz AZDQTIXXXVNIBD-NSHDSACASA-N 1 1 360.422 2.092 20 5 FEBDMO C[C@@H]1C[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668331 599589861 /nfs/dbraw/zinc/58/98/61/599589861.db2.gz RRSRBDHPYDHNRV-MNOVXSKESA-N 1 1 368.401 2.218 20 5 FEBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000826498604 607450914 /nfs/dbraw/zinc/45/09/14/607450914.db2.gz CHHGOTSXRVSRGH-UHFFFAOYSA-N 1 1 365.397 2.245 20 5 FEBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815022565 674899787 /nfs/dbraw/zinc/89/97/87/674899787.db2.gz RNXRGTHLSCOWOX-UHFFFAOYSA-N 1 1 367.830 2.398 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccc(F)cc3Cl)C[C@@H]2C1 ZINC001048814447 675015447 /nfs/dbraw/zinc/01/54/47/675015447.db2.gz LRWFIMOFSHTCQJ-FAXLKDOZSA-N 1 1 367.808 2.035 20 5 FEBDMO C[C@H](CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000564873497 675070951 /nfs/dbraw/zinc/07/09/51/675070951.db2.gz OZPIQRXHWTZCTQ-WBVHZDCISA-N 1 1 351.447 2.189 20 5 FEBDMO Cc1c(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000057703511 670370769 /nfs/dbraw/zinc/37/07/69/670370769.db2.gz ZUQFGCFQEXXMQZ-SECBINFHSA-N 1 1 350.375 2.332 20 5 FEBDMO CN(C)CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000075985232 670539290 /nfs/dbraw/zinc/53/92/90/670539290.db2.gz XBTSLBKJWFERBA-UHFFFAOYSA-N 1 1 369.853 2.396 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000572401823 670997729 /nfs/dbraw/zinc/99/77/29/670997729.db2.gz JQZUQZCVDGNREO-KBPBESRZSA-N 1 1 367.471 2.450 20 5 FEBDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000573041433 671074183 /nfs/dbraw/zinc/07/41/83/671074183.db2.gz MWIMHSSCBFRBDB-AWEZNQCLSA-N 1 1 369.487 2.477 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000577113716 671417723 /nfs/dbraw/zinc/41/77/23/671417723.db2.gz ZLFIPANTKQYEBM-GFCCVEGCSA-N 1 1 351.403 2.232 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000578009291 671634224 /nfs/dbraw/zinc/63/42/24/671634224.db2.gz NWDMYPIZXWJZKB-HUUCEWRRSA-N 1 1 353.444 2.062 20 5 FEBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1C(F)F ZINC000578639482 671679489 /nfs/dbraw/zinc/67/94/89/671679489.db2.gz WJFHYBKHSDCUMD-JTQLQIEISA-N 1 1 364.146 2.036 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000134639242 672124961 /nfs/dbraw/zinc/12/49/61/672124961.db2.gz AIXAUCRMMOSJGJ-CHWSQXEVSA-N 1 1 353.423 2.169 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590565744 672590438 /nfs/dbraw/zinc/59/04/38/672590438.db2.gz QERHDCXAAKDZRW-CVEARBPZSA-N 1 1 367.833 2.112 20 5 FEBDMO C[C@@H](CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000591727747 672705226 /nfs/dbraw/zinc/70/52/26/672705226.db2.gz FVJNLEJXWZSBKT-DOTOQJQBSA-N 1 1 351.447 2.046 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000592136703 672762822 /nfs/dbraw/zinc/76/28/22/672762822.db2.gz DHVPLIFIHPPNAC-KRWDZBQOSA-N 1 1 365.455 2.440 20 5 FEBDMO C[C@@H]1CC2(C[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592185387 672768616 /nfs/dbraw/zinc/76/86/16/672768616.db2.gz YKECFDVBNGZCEA-CQSZACIVSA-N 1 1 368.455 2.260 20 5 FEBDMO C[C@@H]1CC2(C[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592185387 672768617 /nfs/dbraw/zinc/76/86/17/672768617.db2.gz YKECFDVBNGZCEA-CQSZACIVSA-N 1 1 368.455 2.260 20 5 FEBDMO COCC[N@H+]1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000593099702 672876162 /nfs/dbraw/zinc/87/61/62/672876162.db2.gz BHWACQXZFKJDMR-UHFFFAOYSA-N 1 1 355.410 2.285 20 5 FEBDMO Cc1ncc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000612576123 676088447 /nfs/dbraw/zinc/08/84/47/676088447.db2.gz LMBZTIOPQKMZLY-SNVBAGLBSA-N 1 1 355.441 2.484 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000612610377 676090250 /nfs/dbraw/zinc/09/02/50/676090250.db2.gz LVRZIDNPCNOKGW-CYBMUJFWSA-N 1 1 352.366 2.062 20 5 FEBDMO CS(=O)(=O)c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594603878 673105601 /nfs/dbraw/zinc/10/56/01/673105601.db2.gz WHHQFMMDBAZFHW-HIFRSBDPSA-N 1 1 353.444 2.427 20 5 FEBDMO CS(=O)(=O)c1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594603878 673105604 /nfs/dbraw/zinc/10/56/04/673105604.db2.gz WHHQFMMDBAZFHW-HIFRSBDPSA-N 1 1 353.444 2.427 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594800367 673147378 /nfs/dbraw/zinc/14/73/78/673147378.db2.gz DFRJHFRDSZETBE-CYBMUJFWSA-N 1 1 355.460 2.308 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594800557 673147597 /nfs/dbraw/zinc/14/75/97/673147597.db2.gz GVAWDWMAOIPXBP-SNVBAGLBSA-N 1 1 361.851 2.399 20 5 FEBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000462534356 673259800 /nfs/dbraw/zinc/25/98/00/673259800.db2.gz KPZQXOBRPJALNO-CYBMUJFWSA-N 1 1 350.419 2.096 20 5 FEBDMO CCOc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000595823604 673327948 /nfs/dbraw/zinc/32/79/48/673327948.db2.gz OUAUWJJMPGIBHH-CQSZACIVSA-N 1 1 350.419 2.181 20 5 FEBDMO CCOc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000595823604 673327951 /nfs/dbraw/zinc/32/79/51/673327951.db2.gz OUAUWJJMPGIBHH-CQSZACIVSA-N 1 1 350.419 2.181 20 5 FEBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595849532 673330302 /nfs/dbraw/zinc/33/03/02/673330302.db2.gz NOSLLGJYIXREIJ-JGZJWPJOSA-N 1 1 355.778 2.070 20 5 FEBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000595849532 673330304 /nfs/dbraw/zinc/33/03/04/673330304.db2.gz NOSLLGJYIXREIJ-JGZJWPJOSA-N 1 1 355.778 2.070 20 5 FEBDMO COc1cc(NC2CC[NH+](CC(=O)N(C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596120627 673360748 /nfs/dbraw/zinc/36/07/48/673360748.db2.gz JZBOMQNMYPKCMW-UHFFFAOYSA-N 1 1 370.837 2.221 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000536601972 673371752 /nfs/dbraw/zinc/37/17/52/673371752.db2.gz RFUCLNLCFOUYMV-QWHCGFSZSA-N 1 1 367.471 2.498 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000536601972 673371756 /nfs/dbraw/zinc/37/17/56/673371756.db2.gz RFUCLNLCFOUYMV-QWHCGFSZSA-N 1 1 367.471 2.498 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000732568060 673372424 /nfs/dbraw/zinc/37/24/24/673372424.db2.gz HQPGGIMEZDZYRF-GFCCVEGCSA-N 1 1 352.391 2.446 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596307671 673376206 /nfs/dbraw/zinc/37/62/06/673376206.db2.gz NYTINZGWNWMGFL-GFCCVEGCSA-N 1 1 370.475 2.035 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000597202548 673456210 /nfs/dbraw/zinc/45/62/10/673456210.db2.gz DZURMYVDLRIPPH-AWEZNQCLSA-N 1 1 357.357 2.103 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597575118 673488868 /nfs/dbraw/zinc/48/88/68/673488868.db2.gz LICJWNPJLOAKKX-CABCVRRESA-N 1 1 353.419 2.332 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000539727919 673503010 /nfs/dbraw/zinc/50/30/10/673503010.db2.gz DBWMQNZAGGIDCE-SJLPKXTDSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000543172892 673629818 /nfs/dbraw/zinc/62/98/18/673629818.db2.gz VDQHDHUHIYJLQH-YOLKCXPHSA-N 1 1 353.806 2.278 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000543172892 673629819 /nfs/dbraw/zinc/62/98/19/673629819.db2.gz VDQHDHUHIYJLQH-YOLKCXPHSA-N 1 1 353.806 2.278 20 5 FEBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599127965 673635249 /nfs/dbraw/zinc/63/52/49/673635249.db2.gz SHDWXXNQZQHGOS-AWEZNQCLSA-N 1 1 368.459 2.061 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599415216 673672815 /nfs/dbraw/zinc/67/28/15/673672815.db2.gz LKGCFYKIWFYLOL-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ncc(Br)cc2Cl)c1 ZINC000601110554 673826721 /nfs/dbraw/zinc/82/67/21/673826721.db2.gz FGEOFTJYLIZMKH-UHFFFAOYSA-N 1 1 360.599 2.392 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])s1 ZINC000601374106 673850852 /nfs/dbraw/zinc/85/08/52/673850852.db2.gz ALDZRYBPFOUKAD-VXGBXAGGSA-N 1 1 359.473 2.070 20 5 FEBDMO C[NH+](C)C1(CS(=O)(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000601430088 673861074 /nfs/dbraw/zinc/86/10/74/673861074.db2.gz NUTPLTTVHSNVQU-OAHLLOKOSA-N 1 1 367.471 2.198 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000601433679 673861549 /nfs/dbraw/zinc/86/15/49/673861549.db2.gz HXPLOIFWOYLTIX-GFCCVEGCSA-N 1 1 359.423 2.146 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000547735321 673884797 /nfs/dbraw/zinc/88/47/97/673884797.db2.gz JUERDVVWVNUPMR-GFCCVEGCSA-N 1 1 361.427 2.147 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614894858 676195734 /nfs/dbraw/zinc/19/57/34/676195734.db2.gz KUADRRBALPFUFQ-UHFFFAOYSA-N 1 1 367.471 2.236 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614894858 676195737 /nfs/dbraw/zinc/19/57/37/676195737.db2.gz KUADRRBALPFUFQ-UHFFFAOYSA-N 1 1 367.471 2.236 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000602987293 673914792 /nfs/dbraw/zinc/91/47/92/673914792.db2.gz BCSQQYTWDLPUHH-CMPLNLGQSA-N 1 1 364.320 2.085 20 5 FEBDMO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965540 673914901 /nfs/dbraw/zinc/91/49/01/673914901.db2.gz IBKVIMOZJFZZGQ-RDTXWAMCSA-N 1 1 351.447 2.285 20 5 FEBDMO CC[N@@H+]1CCc2nc(NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000823996368 675579009 /nfs/dbraw/zinc/57/90/09/675579009.db2.gz AWHXDQQQLMGWAD-CQSZACIVSA-N 1 1 362.411 2.101 20 5 FEBDMO CC[N@H+]1CCc2nc(NC(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000823996368 675579010 /nfs/dbraw/zinc/57/90/10/675579010.db2.gz AWHXDQQQLMGWAD-CQSZACIVSA-N 1 1 362.411 2.101 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC12COC2 ZINC000824489241 675605913 /nfs/dbraw/zinc/60/59/13/675605913.db2.gz HQGUPRGSEXNQLO-LBPRGKRZSA-N 1 1 354.790 2.260 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC12COC2 ZINC000824489241 675605914 /nfs/dbraw/zinc/60/59/14/675605914.db2.gz HQGUPRGSEXNQLO-LBPRGKRZSA-N 1 1 354.790 2.260 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1C ZINC000827574344 675766092 /nfs/dbraw/zinc/76/60/92/675766092.db2.gz YHOBKGBRFVSFTH-UWVGGRQHSA-N 1 1 371.235 2.307 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1C ZINC000827574344 675766094 /nfs/dbraw/zinc/76/60/94/675766094.db2.gz YHOBKGBRFVSFTH-UWVGGRQHSA-N 1 1 371.235 2.307 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000603854358 675801617 /nfs/dbraw/zinc/80/16/17/675801617.db2.gz WKCPFXAYODNAGO-CHWSQXEVSA-N 1 1 370.475 2.178 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCCCCO)CC1 ZINC000828205074 675806067 /nfs/dbraw/zinc/80/60/67/675806067.db2.gz UFAOWOIZGYBHHH-UHFFFAOYSA-N 1 1 367.471 2.237 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000828550157 675829767 /nfs/dbraw/zinc/82/97/67/675829767.db2.gz LCCONUSSIYCQDO-UHFFFAOYSA-N 1 1 366.805 2.198 20 5 FEBDMO Cc1sc(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000829287959 675874232 /nfs/dbraw/zinc/87/42/32/675874232.db2.gz ZPLSKNMGAAYRMW-UHFFFAOYSA-N 1 1 353.444 2.149 20 5 FEBDMO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000616132260 676240425 /nfs/dbraw/zinc/24/04/25/676240425.db2.gz LJCCSLRRQITKTN-CQSZACIVSA-N 1 1 352.387 2.005 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252210 676369039 /nfs/dbraw/zinc/36/90/39/676369039.db2.gz HDOWGWKVUYMIHV-UKRRQHHQSA-N 1 1 350.394 2.042 20 5 FEBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000830023049 677022143 /nfs/dbraw/zinc/02/21/43/677022143.db2.gz NFGNOGCUIIIGAW-HOCLYGCPSA-N 1 1 367.446 2.363 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCO1 ZINC000762621553 680756101 /nfs/dbraw/zinc/75/61/01/680756101.db2.gz LVSIRXCGDBQITE-GFCCVEGCSA-N 1 1 355.822 2.479 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839571795 680762903 /nfs/dbraw/zinc/76/29/03/680762903.db2.gz UEGQDXAOYOPWMK-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839592261 680764406 /nfs/dbraw/zinc/76/44/06/680764406.db2.gz PYZJKMCRZCTBRQ-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC000839663080 680769964 /nfs/dbraw/zinc/76/99/64/680769964.db2.gz BZOYAQMGZYGMOR-GDBMZVCRSA-N 1 1 351.834 2.333 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000840228265 680809008 /nfs/dbraw/zinc/80/90/08/680809008.db2.gz OALQHIHBLLRJRH-AWEZNQCLSA-N 1 1 350.371 2.204 20 5 FEBDMO CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764236954 680803597 /nfs/dbraw/zinc/80/35/97/680803597.db2.gz WOIHRGPYIRIDSE-JTQLQIEISA-N 1 1 357.794 2.460 20 5 FEBDMO CCOC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764236954 680803600 /nfs/dbraw/zinc/80/36/00/680803600.db2.gz WOIHRGPYIRIDSE-JTQLQIEISA-N 1 1 357.794 2.460 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000765208181 680835572 /nfs/dbraw/zinc/83/55/72/680835572.db2.gz KTJWPLYJNNAIED-GWCFXTLKSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000765208181 680835573 /nfs/dbraw/zinc/83/55/73/680835573.db2.gz KTJWPLYJNNAIED-GWCFXTLKSA-N 1 1 373.862 2.318 20 5 FEBDMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000840723143 680839627 /nfs/dbraw/zinc/83/96/27/680839627.db2.gz ULODMGUNMIJXOU-JOYOIKCWSA-N 1 1 351.384 2.222 20 5 FEBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000748843919 679999936 /nfs/dbraw/zinc/99/99/36/679999936.db2.gz IVUXQHGQIADNGA-GFCCVEGCSA-N 1 1 350.375 2.272 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)c1F ZINC000834591712 680244668 /nfs/dbraw/zinc/24/46/68/680244668.db2.gz CESBCVHWMGADKT-GHMZBOCLSA-N 1 1 357.332 2.440 20 5 FEBDMO Cc1cc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)c(C)s1 ZINC000981764111 680250597 /nfs/dbraw/zinc/25/05/97/680250597.db2.gz NDASKFDTPUHBFJ-HZPDHXFCSA-N 1 1 363.483 2.455 20 5 FEBDMO Cc1cc(C[N@@H+]2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)c(C)s1 ZINC000981764111 680250599 /nfs/dbraw/zinc/25/05/99/680250599.db2.gz NDASKFDTPUHBFJ-HZPDHXFCSA-N 1 1 363.483 2.455 20 5 FEBDMO Cc1cc(C[N@H+]2CCCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)C2)c(C)s1 ZINC000981764111 680250605 /nfs/dbraw/zinc/25/06/05/680250605.db2.gz NDASKFDTPUHBFJ-HZPDHXFCSA-N 1 1 363.483 2.455 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000836791575 680514516 /nfs/dbraw/zinc/51/45/16/680514516.db2.gz VQOKMEGCRVCBDG-LBPRGKRZSA-N 1 1 355.822 2.133 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000836948763 680533347 /nfs/dbraw/zinc/53/33/47/680533347.db2.gz FFWWMGIMFWXGQF-LBPRGKRZSA-N 1 1 352.410 2.356 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000836948763 680533352 /nfs/dbraw/zinc/53/33/52/680533352.db2.gz FFWWMGIMFWXGQF-LBPRGKRZSA-N 1 1 352.410 2.356 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000769908433 681000086 /nfs/dbraw/zinc/00/00/86/681000086.db2.gz QEUVQIDADGKKEI-GXFFZTMASA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000769908433 681000087 /nfs/dbraw/zinc/00/00/87/681000087.db2.gz QEUVQIDADGKKEI-GXFFZTMASA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000843856853 681022468 /nfs/dbraw/zinc/02/24/68/681022468.db2.gz LTNJINPWEXJXGJ-ZDUSSCGKSA-N 1 1 350.375 2.414 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000843903492 681024900 /nfs/dbraw/zinc/02/49/00/681024900.db2.gz LZAZDDKDJVHVDO-UHFFFAOYSA-N 1 1 350.375 2.416 20 5 FEBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000843990484 681029745 /nfs/dbraw/zinc/02/97/45/681029745.db2.gz UHZABODSMQXBCM-CYBMUJFWSA-N 1 1 350.375 2.368 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[NH+]1CCC(S(=O)(=O)N2CCCCC2)CC1 ZINC000933088808 681361265 /nfs/dbraw/zinc/36/12/65/681361265.db2.gz SAJVCDFOPFEPIX-UHFFFAOYSA-N 1 1 367.471 2.375 20 5 FEBDMO CCC[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000776595870 681413176 /nfs/dbraw/zinc/41/31/76/681413176.db2.gz BSWDXXPRUQOQHE-MSOLQXFVSA-N 1 1 351.447 2.061 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)[nH+]1 ZINC000778014358 681557790 /nfs/dbraw/zinc/55/77/90/681557790.db2.gz QCRYRVDAYUDLGP-UHFFFAOYSA-N 1 1 368.390 2.136 20 5 FEBDMO CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC[N@@H+](CC)C1 ZINC000850607059 681925352 /nfs/dbraw/zinc/92/53/52/681925352.db2.gz OXPCHRBLQCEKFE-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO CC(C)N1CC[NH+](CCCOC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000791763118 682764797 /nfs/dbraw/zinc/76/47/97/682764797.db2.gz DYRPERLWVGCQRC-UHFFFAOYSA-N 1 1 353.394 2.307 20 5 FEBDMO Cc1sc(C(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1[N+](=O)[O-] ZINC000926181748 683090072 /nfs/dbraw/zinc/09/00/72/683090072.db2.gz CPOLKCRINCOWQR-JSHWQEIDSA-N 1 1 367.471 2.174 20 5 FEBDMO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000796571714 683173020 /nfs/dbraw/zinc/17/30/20/683173020.db2.gz WHYHQHPTPXXPMB-AWEZNQCLSA-N 1 1 353.423 2.124 20 5 FEBDMO CC(C)([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCCC1 ZINC000796582372 683174434 /nfs/dbraw/zinc/17/44/34/683174434.db2.gz NCBAZYNAOXMZOO-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000919853553 683303716 /nfs/dbraw/zinc/30/37/16/683303716.db2.gz KBBSKVCXFXHAAP-HIFRSBDPSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000919853553 683303719 /nfs/dbraw/zinc/30/37/19/683303719.db2.gz KBBSKVCXFXHAAP-HIFRSBDPSA-N 1 1 353.444 2.014 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928092982 683381418 /nfs/dbraw/zinc/38/14/18/683381418.db2.gz JKIZQOMPYCIGEF-CABCVRRESA-N 1 1 369.874 2.487 20 5 FEBDMO COc1cc(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000861351008 683395535 /nfs/dbraw/zinc/39/55/35/683395535.db2.gz BCXCGOFIRHFFMO-QLJPJBMISA-N 1 1 356.350 2.009 20 5 FEBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000928105720 683396075 /nfs/dbraw/zinc/39/60/75/683396075.db2.gz VQTFLOZQUIVSIE-JSGCOSHPSA-N 1 1 357.382 2.183 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000928105720 683396081 /nfs/dbraw/zinc/39/60/81/683396081.db2.gz VQTFLOZQUIVSIE-JSGCOSHPSA-N 1 1 357.382 2.183 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862551935 683600874 /nfs/dbraw/zinc/60/08/74/683600874.db2.gz QWXBEQYPGQCDGW-GFCCVEGCSA-N 1 1 361.851 2.009 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862551935 683600878 /nfs/dbraw/zinc/60/08/78/683600878.db2.gz QWXBEQYPGQCDGW-GFCCVEGCSA-N 1 1 361.851 2.009 20 5 FEBDMO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000922160615 683671970 /nfs/dbraw/zinc/67/19/70/683671970.db2.gz XATQHEWEYNWNHZ-SECBINFHSA-N 1 1 360.183 2.320 20 5 FEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000922160615 683671974 /nfs/dbraw/zinc/67/19/74/683671974.db2.gz XATQHEWEYNWNHZ-SECBINFHSA-N 1 1 360.183 2.320 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000930158923 683687007 /nfs/dbraw/zinc/68/70/07/683687007.db2.gz ARJUQYNBMBFDFL-GJZGRUSLSA-N 1 1 368.821 2.311 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000930158930 683687150 /nfs/dbraw/zinc/68/71/50/683687150.db2.gz ARJUQYNBMBFDFL-LSDHHAIUSA-N 1 1 368.821 2.311 20 5 FEBDMO O=C1N[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C[C@@H]2CO1 ZINC000930310222 683709254 /nfs/dbraw/zinc/70/92/54/683709254.db2.gz TYDOCJMQJRVUDN-MFKMUULPSA-N 1 1 370.203 2.288 20 5 FEBDMO O=C1N[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C[C@@H]2CO1 ZINC000930310222 683709256 /nfs/dbraw/zinc/70/92/56/683709256.db2.gz TYDOCJMQJRVUDN-MFKMUULPSA-N 1 1 370.203 2.288 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930883804 683796696 /nfs/dbraw/zinc/79/66/96/683796696.db2.gz IRCKPVROOLFUET-OCCSQVGLSA-N 1 1 366.443 2.305 20 5 FEBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000865008361 683921965 /nfs/dbraw/zinc/92/19/65/683921965.db2.gz YVWXFKXAOIMDQB-NSHDSACASA-N 1 1 368.231 2.253 20 5 FEBDMO C[N@H+]1CCC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865183358 683947022 /nfs/dbraw/zinc/94/70/22/683947022.db2.gz DBGXWMQYNFQIQU-NSHDSACASA-N 1 1 356.220 2.110 20 5 FEBDMO C[N@@H+]1CCO[C@@H](CSCc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000865370947 683974951 /nfs/dbraw/zinc/97/49/51/683974951.db2.gz XUXPRGAGNRKSII-LLVKDONJSA-N 1 1 350.400 2.209 20 5 FEBDMO C[N@H+]1CCO[C@@H](CSCc2nnc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000865370947 683974952 /nfs/dbraw/zinc/97/49/52/683974952.db2.gz XUXPRGAGNRKSII-LLVKDONJSA-N 1 1 350.400 2.209 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000866863713 684170585 /nfs/dbraw/zinc/17/05/85/684170585.db2.gz SIMXRRRMPOHUHI-NEPJUHHUSA-N 1 1 359.423 2.146 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1F ZINC000866866345 684170798 /nfs/dbraw/zinc/17/07/98/684170798.db2.gz NHYPETRKJCPWPK-YPMHNXCESA-N 1 1 359.423 2.003 20 5 FEBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434301 684282771 /nfs/dbraw/zinc/28/27/71/684282771.db2.gz PGSSNJMNWVBXCS-RWMBFGLXSA-N 1 1 366.849 2.459 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C[C@@H]2C1 ZINC000931686003 684329088 /nfs/dbraw/zinc/32/90/88/684329088.db2.gz IFLFHVFKVPHCQO-BETUJISGSA-N 1 1 368.231 2.267 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C[C@@H]2C1 ZINC000931686003 684329091 /nfs/dbraw/zinc/32/90/91/684329091.db2.gz IFLFHVFKVPHCQO-BETUJISGSA-N 1 1 368.231 2.267 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925137595 684527275 /nfs/dbraw/zinc/52/72/75/684527275.db2.gz DCWCZSKQCUGCSN-OCCSQVGLSA-N 1 1 366.443 2.305 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1C ZINC000872663587 685000225 /nfs/dbraw/zinc/00/02/25/685000225.db2.gz KMAWBIAEOWSSOZ-HUUCEWRRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1C ZINC000872663587 685000227 /nfs/dbraw/zinc/00/02/27/685000227.db2.gz KMAWBIAEOWSSOZ-HUUCEWRRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000872665525 685001170 /nfs/dbraw/zinc/00/11/70/685001170.db2.gz ZYIGCYBVEIYEBB-CHWSQXEVSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000872665525 685001171 /nfs/dbraw/zinc/00/11/71/685001171.db2.gz ZYIGCYBVEIYEBB-CHWSQXEVSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000881936267 687265528 /nfs/dbraw/zinc/26/55/28/687265528.db2.gz ZFKSJGJXMIXVBJ-WDEREUQCSA-N 1 1 361.851 2.318 20 5 FEBDMO C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883205497 687587687 /nfs/dbraw/zinc/58/76/87/687587687.db2.gz XXGCBDGYXHYFJH-LBPRGKRZSA-N 1 1 371.235 2.251 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884958811 687975721 /nfs/dbraw/zinc/97/57/21/687975721.db2.gz DXGVFBAERVJNJD-VXGBXAGGSA-N 1 1 373.862 2.462 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000886628543 688284446 /nfs/dbraw/zinc/28/44/46/688284446.db2.gz VAYVACGRPDPCHK-GDBMZVCRSA-N 1 1 353.806 2.424 20 5 FEBDMO O=C(C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000886628543 688284449 /nfs/dbraw/zinc/28/44/49/688284449.db2.gz VAYVACGRPDPCHK-GDBMZVCRSA-N 1 1 353.806 2.424 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000888283671 688577187 /nfs/dbraw/zinc/57/71/87/688577187.db2.gz XBCIDGBZOSAYHZ-VXGBXAGGSA-N 1 1 370.837 2.475 20 5 FEBDMO CCOc1cc(NC(=O)NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000888834487 688680436 /nfs/dbraw/zinc/68/04/36/688680436.db2.gz JYUHPCMZUHJKIZ-UHFFFAOYSA-N 1 1 354.432 2.164 20 5 FEBDMO CC[N@@H+]1CCc2nc(NC(=O)c3ccnc(NC)c3[N+](=O)[O-])sc2C1 ZINC000517244906 690049705 /nfs/dbraw/zinc/04/97/05/690049705.db2.gz ONCVDQFGHKIYJS-UHFFFAOYSA-N 1 1 362.415 2.118 20 5 FEBDMO CC[N@H+]1CCc2nc(NC(=O)c3ccnc(NC)c3[N+](=O)[O-])sc2C1 ZINC000517244906 690049707 /nfs/dbraw/zinc/04/97/07/690049707.db2.gz ONCVDQFGHKIYJS-UHFFFAOYSA-N 1 1 362.415 2.118 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC1 ZINC000900373595 690508820 /nfs/dbraw/zinc/50/88/20/690508820.db2.gz FYMSJMPOJPMRLL-UHFFFAOYSA-N 1 1 359.785 2.182 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901141315 690618094 /nfs/dbraw/zinc/61/80/94/690618094.db2.gz XFUZZAMHPBVKJR-LBPRGKRZSA-N 1 1 373.812 2.354 20 5 FEBDMO C[C@]12CSC[C@H]1C[N@@H+](CN1CCN(c3ccccc3[N+](=O)[O-])C1=O)C2 ZINC000902674943 690796950 /nfs/dbraw/zinc/79/69/50/690796950.db2.gz LVMMLTASSDMICZ-DYVFJYSZSA-N 1 1 362.455 2.479 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)[C@H](C)C1 ZINC000910281872 691910456 /nfs/dbraw/zinc/91/04/56/691910456.db2.gz FHLZRCMIXOFBRI-CYBMUJFWSA-N 1 1 367.471 2.236 20 5 FEBDMO COc1ncnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-] ZINC001164629832 719078216 /nfs/dbraw/zinc/07/82/16/719078216.db2.gz ZIXFUJAZFBACGG-HZPDHXFCSA-N 1 1 369.425 2.494 20 5 FEBDMO Cc1nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)ncc1[N+](=O)[O-] ZINC001164653634 719317084 /nfs/dbraw/zinc/31/70/84/719317084.db2.gz YKXAFMVMJHNOOO-UHFFFAOYSA-N 1 1 359.434 2.095 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902114 721520780 /nfs/dbraw/zinc/52/07/80/721520780.db2.gz ZGLLPAZGMFXANQ-ZBFHGGJFSA-N 1 1 358.373 2.471 20 5 FEBDMO Cc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164905970 721563000 /nfs/dbraw/zinc/56/30/00/721563000.db2.gz IHQXKDWKIAGPRW-GDBMZVCRSA-N 1 1 373.388 2.174 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924737 721860542 /nfs/dbraw/zinc/86/05/42/721860542.db2.gz DDRKKRMSPYDMDC-SJORKVTESA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924737 721860546 /nfs/dbraw/zinc/86/05/46/721860546.db2.gz DDRKKRMSPYDMDC-SJORKVTESA-N 1 1 355.442 2.358 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924729 721860607 /nfs/dbraw/zinc/86/06/07/721860607.db2.gz DDRKKRMSPYDMDC-DLBZAZTESA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])c2ccccc21 ZINC001164924729 721860608 /nfs/dbraw/zinc/86/06/08/721860608.db2.gz DDRKKRMSPYDMDC-DLBZAZTESA-N 1 1 355.442 2.358 20 5 FEBDMO COc1cnc(N2CC[NH+](CCOc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001165045366 721955656 /nfs/dbraw/zinc/95/56/56/721955656.db2.gz SPOICYFUPJDWLN-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984070 722105715 /nfs/dbraw/zinc/10/57/15/722105715.db2.gz RRDHSUWDEIFYLA-DLBZAZTESA-N 1 1 369.425 2.112 20 5 FEBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000023389687 539713343 /nfs/dbraw/zinc/71/33/43/539713343.db2.gz TXDSPVOEGPHXIY-MRXNPFEDSA-N 1 1 357.410 2.157 20 5 FEBDMO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000023389689 539713492 /nfs/dbraw/zinc/71/34/92/539713492.db2.gz TXDSPVOEGPHXIY-INIZCTEOSA-N 1 1 357.410 2.157 20 5 FEBDMO C[N@@H+](CCOc1ccc(F)cc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025699113 539766580 /nfs/dbraw/zinc/76/65/80/539766580.db2.gz ZWKXCMLBURGHBQ-INIZCTEOSA-N 1 1 364.373 2.484 20 5 FEBDMO O=[N+]([O-])c1ccc(NC(=S)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000800820888 674078909 /nfs/dbraw/zinc/07/89/09/674078909.db2.gz AYUHOCUSUXRFMV-CQSZACIVSA-N 1 1 364.471 2.336 20 5 FEBDMO Cc1ccc(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000043148288 540091599 /nfs/dbraw/zinc/09/15/99/540091599.db2.gz UEOXBIHLYUCFOH-HNNXBMFYSA-N 1 1 350.419 2.382 20 5 FEBDMO Cc1c(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000043347806 540098369 /nfs/dbraw/zinc/09/83/69/540098369.db2.gz VCNXFSOOQFHYRK-AWEZNQCLSA-N 1 1 350.419 2.382 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)C)CC2)cc1OC ZINC000045522212 540215801 /nfs/dbraw/zinc/21/58/01/540215801.db2.gz NBXUCZSPVFKHQT-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000045745006 540224860 /nfs/dbraw/zinc/22/48/60/540224860.db2.gz YGJFSHZQLDEHQP-JSGCOSHPSA-N 1 1 355.460 2.302 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000045797397 540228570 /nfs/dbraw/zinc/22/85/70/540228570.db2.gz GWRJJARJCLSCPX-CQSZACIVSA-N 1 1 369.468 2.379 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000046213913 540248205 /nfs/dbraw/zinc/24/82/05/540248205.db2.gz OSQHAJLUBOMCBO-UHFFFAOYSA-N 1 1 367.471 2.389 20 5 FEBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1 ZINC000047593104 540319019 /nfs/dbraw/zinc/31/90/19/540319019.db2.gz DZZSZZYQUWJHBY-UHFFFAOYSA-N 1 1 356.382 2.494 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccccc1 ZINC000047593104 540319021 /nfs/dbraw/zinc/31/90/21/540319021.db2.gz DZZSZZYQUWJHBY-UHFFFAOYSA-N 1 1 356.382 2.494 20 5 FEBDMO Nc1c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000048245621 540353801 /nfs/dbraw/zinc/35/38/01/540353801.db2.gz FIRJQLURAVKHFI-AWEZNQCLSA-N 1 1 358.373 2.320 20 5 FEBDMO O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000048767447 540373088 /nfs/dbraw/zinc/37/30/88/540373088.db2.gz ZIYXWKTVTFYHQK-HNNXBMFYSA-N 1 1 372.381 2.080 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000052929445 540500612 /nfs/dbraw/zinc/50/06/12/540500612.db2.gz SZOZLQQNGFSZMK-OAHLLOKOSA-N 1 1 374.441 2.080 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000052929445 540500617 /nfs/dbraw/zinc/50/06/17/540500617.db2.gz SZOZLQQNGFSZMK-OAHLLOKOSA-N 1 1 374.441 2.080 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000056460012 540727923 /nfs/dbraw/zinc/72/79/23/540727923.db2.gz ZNOKADUVJAPEGZ-KBPBESRZSA-N 1 1 364.446 2.282 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(CC(F)F)CC1 ZINC000057919824 540824113 /nfs/dbraw/zinc/82/41/13/540824113.db2.gz FRDRFGPNADVYJB-UHFFFAOYSA-N 1 1 356.373 2.115 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)cc1OC ZINC000063852608 541189457 /nfs/dbraw/zinc/18/94/57/541189457.db2.gz NACJPAVFUKNZJV-CYBMUJFWSA-N 1 1 365.430 2.464 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000064737198 541216284 /nfs/dbraw/zinc/21/62/84/541216284.db2.gz JKSKCVZAESWTJJ-CYBMUJFWSA-N 1 1 368.397 2.352 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000064334086 541201737 /nfs/dbraw/zinc/20/17/37/541201737.db2.gz PMBJJAAMMMWKCR-AEGPPILISA-N 1 1 365.455 2.055 20 5 FEBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000065781417 541260582 /nfs/dbraw/zinc/26/05/82/541260582.db2.gz LRGAAWIZFKUCTQ-UHFFFAOYSA-N 1 1 359.430 2.338 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)[C@@H](C)CC)cc1OC ZINC000066150028 541285352 /nfs/dbraw/zinc/28/53/52/541285352.db2.gz UCLFDFYNECLDNS-LBPRGKRZSA-N 1 1 353.419 2.462 20 5 FEBDMO O=C([C@H]1CCC[N@H+]1CCOc1cccc([N+](=O)[O-])c1)N1CCSCC1 ZINC000068554850 541609096 /nfs/dbraw/zinc/60/90/96/541609096.db2.gz QMCVJOKBDVPXTQ-MRXNPFEDSA-N 1 1 365.455 2.013 20 5 FEBDMO O=C([C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1)N1CCSCC1 ZINC000068554850 541609100 /nfs/dbraw/zinc/60/91/00/541609100.db2.gz QMCVJOKBDVPXTQ-MRXNPFEDSA-N 1 1 365.455 2.013 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000544410587 541765337 /nfs/dbraw/zinc/76/53/37/541765337.db2.gz SVZUGJYZAPSBKU-CQSZACIVSA-N 1 1 358.446 2.224 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000072716884 541856692 /nfs/dbraw/zinc/85/66/92/541856692.db2.gz DACYTVHFDKDJOE-HNNXBMFYSA-N 1 1 367.471 2.256 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000074165629 542046403 /nfs/dbraw/zinc/04/64/03/542046403.db2.gz RLTUSJVRVJQTJV-HNNXBMFYSA-N 1 1 364.446 2.489 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C3(CO)Cc4ccccc4C3)n2)c1 ZINC000074326177 542070551 /nfs/dbraw/zinc/07/05/51/542070551.db2.gz QGKQNDXJSDZNHP-UHFFFAOYSA-N 1 1 366.377 2.264 20 5 FEBDMO NC(=O)c1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000074311914 542067430 /nfs/dbraw/zinc/06/74/30/542067430.db2.gz IINGHOMLLVEHGE-KRWDZBQOSA-N 1 1 355.394 2.176 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000074311914 542067431 /nfs/dbraw/zinc/06/74/31/542067431.db2.gz IINGHOMLLVEHGE-KRWDZBQOSA-N 1 1 355.394 2.176 20 5 FEBDMO COc1cc(C[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1SC ZINC000075675533 542196960 /nfs/dbraw/zinc/19/69/60/542196960.db2.gz MAJLNAHZFVPVIE-CQSZACIVSA-N 1 1 366.443 2.015 20 5 FEBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000075719895 542200375 /nfs/dbraw/zinc/20/03/75/542200375.db2.gz KKKAENQIWAEOMM-WMLDXEAASA-N 1 1 362.430 2.114 20 5 FEBDMO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801542086 674134229 /nfs/dbraw/zinc/13/42/29/674134229.db2.gz OJOGKMVUOZGHAG-UHFFFAOYSA-N 1 1 357.382 2.053 20 5 FEBDMO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801542086 674134233 /nfs/dbraw/zinc/13/42/33/674134233.db2.gz OJOGKMVUOZGHAG-UHFFFAOYSA-N 1 1 357.382 2.053 20 5 FEBDMO O=C(c1ccncc1)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000076199041 542242514 /nfs/dbraw/zinc/24/25/14/542242514.db2.gz VBPVJPCEQAECDJ-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO O=C(c1ccncc1)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000076199041 542242517 /nfs/dbraw/zinc/24/25/17/542242517.db2.gz VBPVJPCEQAECDJ-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO CC(C)C[N@H+]1CCCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000077361544 542372787 /nfs/dbraw/zinc/37/27/87/542372787.db2.gz FXYSKWQJFYDTIQ-UHFFFAOYSA-N 1 1 360.458 2.148 20 5 FEBDMO COC(=O)CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCO1 ZINC000083174158 542693028 /nfs/dbraw/zinc/69/30/28/542693028.db2.gz OLCNBVFBAHSNPA-CYBMUJFWSA-N 1 1 363.370 2.280 20 5 FEBDMO COC(=O)CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCO1 ZINC000083174158 542693030 /nfs/dbraw/zinc/69/30/30/542693030.db2.gz OLCNBVFBAHSNPA-CYBMUJFWSA-N 1 1 363.370 2.280 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000085545550 542729022 /nfs/dbraw/zinc/72/90/22/542729022.db2.gz OZWRCJWFWWCMEB-JKSUJKDBSA-N 1 1 362.430 2.356 20 5 FEBDMO C[N@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000087315652 542744836 /nfs/dbraw/zinc/74/48/36/542744836.db2.gz CCHSZMLAYRXPMU-NSHDSACASA-N 1 1 356.220 2.110 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000087493813 542746690 /nfs/dbraw/zinc/74/66/90/542746690.db2.gz AYSQDZIXHNQRNU-CQSZACIVSA-N 1 1 369.874 2.440 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCOCC1CC1 ZINC000088600492 542754547 /nfs/dbraw/zinc/75/45/47/542754547.db2.gz PHZYGYOTZFOUBG-LBPRGKRZSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCOCC1CC1 ZINC000088600492 542754551 /nfs/dbraw/zinc/75/45/51/542754551.db2.gz PHZYGYOTZFOUBG-LBPRGKRZSA-N 1 1 351.403 2.289 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000092734067 542883789 /nfs/dbraw/zinc/88/37/89/542883789.db2.gz ZFERCJAIEAUMHT-ZDUSSCGKSA-N 1 1 365.430 2.350 20 5 FEBDMO Cn1cc(C[N@@H+](C)CCN2CCCC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093320169 542926296 /nfs/dbraw/zinc/92/62/96/542926296.db2.gz ZBLIUCMFENNGQZ-UHFFFAOYSA-N 1 1 357.414 2.050 20 5 FEBDMO Cc1nn(CCC(=O)NCC[N@H+](C)C2CCCCC2)c(C)c1[N+](=O)[O-] ZINC000102340394 543065730 /nfs/dbraw/zinc/06/57/30/543065730.db2.gz FUXUWPQABMEGEZ-UHFFFAOYSA-N 1 1 351.451 2.179 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332637 543065256 /nfs/dbraw/zinc/06/52/56/543065256.db2.gz LTZZWVDZKGQREB-AWEZNQCLSA-N 1 1 351.451 2.155 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000102479111 543071455 /nfs/dbraw/zinc/07/14/55/543071455.db2.gz OYHKLCWZEPRESG-UHFFFAOYSA-N 1 1 359.430 2.455 20 5 FEBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000104683946 543137543 /nfs/dbraw/zinc/13/75/43/543137543.db2.gz OGNNXYCWBKUJSQ-CQSZACIVSA-N 1 1 361.442 2.499 20 5 FEBDMO CCOCCN1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000106104907 543197986 /nfs/dbraw/zinc/19/79/86/543197986.db2.gz GUFMWGBBYZUUDZ-UHFFFAOYSA-N 1 1 374.441 2.446 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000107696727 543276379 /nfs/dbraw/zinc/27/63/79/543276379.db2.gz BKGUVJSQCIBBHZ-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000109987667 543346054 /nfs/dbraw/zinc/34/60/54/543346054.db2.gz FHNNUZCXAQINJC-ZDUSSCGKSA-N 1 1 372.425 2.287 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000111266364 543390740 /nfs/dbraw/zinc/39/07/40/543390740.db2.gz OOSGQRLWYMZVQS-SNVBAGLBSA-N 1 1 373.356 2.163 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111352591 543398684 /nfs/dbraw/zinc/39/86/84/543398684.db2.gz XXIHIAPTOHHDIT-GFCCVEGCSA-N 1 1 361.851 2.401 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000111461577 543402124 /nfs/dbraw/zinc/40/21/24/543402124.db2.gz HEQHPKYTNILHGB-OAHLLOKOSA-N 1 1 350.419 2.277 20 5 FEBDMO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CCN1CCCC1=O ZINC000112703730 543458841 /nfs/dbraw/zinc/45/88/41/543458841.db2.gz DQWPJQOEEPKRLE-UHFFFAOYSA-N 1 1 358.398 2.347 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000114140782 543505104 /nfs/dbraw/zinc/50/51/04/543505104.db2.gz SYUSGBCJRJEOTR-UHFFFAOYSA-N 1 1 368.865 2.396 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000115437134 543567780 /nfs/dbraw/zinc/56/77/80/543567780.db2.gz BJURRVIAGQNJHG-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123897239 543789814 /nfs/dbraw/zinc/78/98/14/543789814.db2.gz YILCWGZIQKIPKK-DOMZBBRYSA-N 1 1 363.414 2.326 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000125675362 543895501 /nfs/dbraw/zinc/89/55/01/543895501.db2.gz WQASMQDKQMHCKO-NEPJUHHUSA-N 1 1 359.473 2.070 20 5 FEBDMO Cc1nn(C)c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000126503986 543939779 /nfs/dbraw/zinc/93/97/79/543939779.db2.gz ZQBQZYJNZOHISU-BETUJISGSA-N 1 1 351.451 2.125 20 5 FEBDMO COCCOC[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128736971 544069171 /nfs/dbraw/zinc/06/91/71/544069171.db2.gz KXASJWXWZGXRFT-CYBMUJFWSA-N 1 1 369.393 2.047 20 5 FEBDMO O=C(C[N@@H+]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000129279514 544103039 /nfs/dbraw/zinc/10/30/39/544103039.db2.gz GLJUYXRZDFCTLP-VMPITWQZSA-N 1 1 372.469 2.238 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000132477982 544232408 /nfs/dbraw/zinc/23/24/08/544232408.db2.gz DTKZYIBVMZABBO-RNCFNFMXSA-N 1 1 361.320 2.063 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000132477982 544232411 /nfs/dbraw/zinc/23/24/11/544232411.db2.gz DTKZYIBVMZABBO-RNCFNFMXSA-N 1 1 361.320 2.063 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000134402770 544306464 /nfs/dbraw/zinc/30/64/64/544306464.db2.gz OCYWQQRTWFDPAU-HNNXBMFYSA-N 1 1 353.419 2.271 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000135122147 544335292 /nfs/dbraw/zinc/33/52/92/544335292.db2.gz ZNRKWFZCUBTCLM-HNNXBMFYSA-N 1 1 371.441 2.223 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000135122147 544335295 /nfs/dbraw/zinc/33/52/95/544335295.db2.gz ZNRKWFZCUBTCLM-HNNXBMFYSA-N 1 1 371.441 2.223 20 5 FEBDMO CC1(C)NC(=O)N(CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C1=O ZINC000135235001 544338707 /nfs/dbraw/zinc/33/87/07/544338707.db2.gz CEHAYEWAPZAPBE-UHFFFAOYSA-N 1 1 360.414 2.280 20 5 FEBDMO CC1CC[NH+](Cc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000136043654 544365626 /nfs/dbraw/zinc/36/56/26/544365626.db2.gz HGGJYTOVBYYDQV-UHFFFAOYSA-N 1 1 357.414 2.480 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)CCO1 ZINC000146057960 544437784 /nfs/dbraw/zinc/43/77/84/544437784.db2.gz ZMCAMJUTDDYCKS-CYBMUJFWSA-N 1 1 358.398 2.074 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]3)c2)CCO1 ZINC000146057960 544437787 /nfs/dbraw/zinc/43/77/87/544437787.db2.gz ZMCAMJUTDDYCKS-CYBMUJFWSA-N 1 1 358.398 2.074 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000149910885 544460526 /nfs/dbraw/zinc/46/05/26/544460526.db2.gz LYZASFASCSNTQT-WMLDXEAASA-N 1 1 371.441 2.442 20 5 FEBDMO Cc1cc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000153624030 544799481 /nfs/dbraw/zinc/79/94/81/544799481.db2.gz CHGHOWLOEOWLGW-UHFFFAOYSA-N 1 1 350.419 2.214 20 5 FEBDMO CCOc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000153590445 544794834 /nfs/dbraw/zinc/79/48/34/544794834.db2.gz ODRPUUDKFIYKPS-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO Cc1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1[N+](=O)[O-] ZINC000154251448 544881735 /nfs/dbraw/zinc/88/17/35/544881735.db2.gz JNGFOWGCFDAWQQ-JWTNVVGKSA-N 1 1 372.469 2.286 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000247545870 549354181 /nfs/dbraw/zinc/35/41/81/549354181.db2.gz YILCWGZIQKIPKK-SWLSCSKDSA-N 1 1 363.414 2.326 20 5 FEBDMO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183255158 327809227 /nfs/dbraw/zinc/80/92/27/327809227.db2.gz ZSBVLFJLXSKISJ-UHFFFAOYSA-N 1 1 355.460 2.197 20 5 FEBDMO CC(C)[C@@H](CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000804340741 674281558 /nfs/dbraw/zinc/28/15/58/674281558.db2.gz IZZHYTOBMGVNAJ-OAHLLOKOSA-N 1 1 351.407 2.187 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(Cn3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000186233840 327953078 /nfs/dbraw/zinc/95/30/78/327953078.db2.gz XTVLOOSALCABDQ-AWEZNQCLSA-N 1 1 372.429 2.234 20 5 FEBDMO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187538131 328032383 /nfs/dbraw/zinc/03/23/83/328032383.db2.gz GZTMTJMSUWGMCC-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187538131 328032384 /nfs/dbraw/zinc/03/23/84/328032384.db2.gz GZTMTJMSUWGMCC-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000187628045 328036824 /nfs/dbraw/zinc/03/68/24/328036824.db2.gz XAFVXYIZXUSSHW-KBPBESRZSA-N 1 1 364.446 2.142 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000187986945 328058443 /nfs/dbraw/zinc/05/84/43/328058443.db2.gz RYMNPCLIEHOITL-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO O=C(C[NH+]1CCC([C@@H]2CCCO2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000189178450 328133540 /nfs/dbraw/zinc/13/35/40/328133540.db2.gz GZTVULLGIUERRB-SFHVURJKSA-N 1 1 359.426 2.375 20 5 FEBDMO COc1cc(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000189477042 328150719 /nfs/dbraw/zinc/15/07/19/328150719.db2.gz BVQQSENJXVGTNK-LBPRGKRZSA-N 1 1 355.410 2.020 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000191617140 328274306 /nfs/dbraw/zinc/27/43/06/328274306.db2.gz ODHLCMRDCASDTM-HNNXBMFYSA-N 1 1 357.414 2.206 20 5 FEBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191810624 328283211 /nfs/dbraw/zinc/28/32/11/328283211.db2.gz WYNKSYVCZDDTRY-ZDUSSCGKSA-N 1 1 351.451 2.442 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000191873434 328286200 /nfs/dbraw/zinc/28/62/00/328286200.db2.gz QYBHBZTWSZMLNV-UHFFFAOYSA-N 1 1 367.471 2.461 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000192475624 328321135 /nfs/dbraw/zinc/32/11/35/328321135.db2.gz LERNISUSGXCTDC-PHIMTYICSA-N 1 1 355.847 2.360 20 5 FEBDMO CC(C)[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000089306220 325311125 /nfs/dbraw/zinc/31/11/25/325311125.db2.gz JPRKUDIAICWXPH-RKVPGOIHSA-N 1 1 363.458 2.387 20 5 FEBDMO CC(C)[C@H](CO)[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000090551817 325362670 /nfs/dbraw/zinc/36/26/70/325362670.db2.gz NZDOUPRJJMHWOP-SFHVURJKSA-N 1 1 359.426 2.276 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000116652535 326028467 /nfs/dbraw/zinc/02/84/67/326028467.db2.gz LELXTAJSBUMFQP-STQMWFEESA-N 1 1 351.451 2.035 20 5 FEBDMO COCCOC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000116884821 326039818 /nfs/dbraw/zinc/03/98/18/326039818.db2.gz QROXIXIPOPMXSN-CYBMUJFWSA-N 1 1 351.403 2.049 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000119584036 326177751 /nfs/dbraw/zinc/17/77/51/326177751.db2.gz VHHUQTONEIYHFG-GJZGRUSLSA-N 1 1 372.429 2.234 20 5 FEBDMO CCOc1cc(C(=O)NC[C@H]2CC[N@@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000121497702 326343436 /nfs/dbraw/zinc/34/34/36/326343436.db2.gz ZEURDXPJJMQLAM-GFCCVEGCSA-N 1 1 351.403 2.074 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000121610710 326351731 /nfs/dbraw/zinc/35/17/31/326351731.db2.gz PKONERWFIYQWLE-YPMHNXCESA-N 1 1 371.484 2.294 20 5 FEBDMO COc1ccc(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000121901332 326374811 /nfs/dbraw/zinc/37/48/11/326374811.db2.gz CYHDGBQWUJXJLG-UHFFFAOYSA-N 1 1 358.398 2.432 20 5 FEBDMO CCC[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000121974671 326379183 /nfs/dbraw/zinc/37/91/83/326379183.db2.gz PFINSQCGGXGBSM-MSOLQXFVSA-N 1 1 351.447 2.061 20 5 FEBDMO CC[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000134787765 326631468 /nfs/dbraw/zinc/63/14/68/326631468.db2.gz LZBPPZOGDDQZNE-UHFFFAOYSA-N 1 1 369.425 2.233 20 5 FEBDMO O=C(c1ccccc1)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159715379 326940005 /nfs/dbraw/zinc/94/00/05/326940005.db2.gz NPVYUHQDQZAEDD-UHFFFAOYSA-N 1 1 355.394 2.351 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162388397 327024531 /nfs/dbraw/zinc/02/45/31/327024531.db2.gz SKUDAIAVNBNHDX-LJQANCHMSA-N 1 1 371.441 2.271 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000162640824 327030649 /nfs/dbraw/zinc/03/06/49/327030649.db2.gz XZAHXRKBNDEGCL-UHFFFAOYSA-N 1 1 358.398 2.188 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C3OCCO3)CC2)cccc1[N+](=O)[O-] ZINC000171238758 327126739 /nfs/dbraw/zinc/12/67/39/327126739.db2.gz LRBBCRHLNADQQO-CYBMUJFWSA-N 1 1 363.414 2.315 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000172619134 327211946 /nfs/dbraw/zinc/21/19/46/327211946.db2.gz QRLHOJNGJVEREI-DZGCQCFKSA-N 1 1 357.414 2.335 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000172683913 327214428 /nfs/dbraw/zinc/21/44/28/327214428.db2.gz NUTRKTIXJRMTJV-BLLLJJGKSA-N 1 1 363.443 2.052 20 5 FEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172722481 327215538 /nfs/dbraw/zinc/21/55/38/327215538.db2.gz TZDIFFQEZCTCIT-GOSISDBHSA-N 1 1 355.394 2.112 20 5 FEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172722481 327215539 /nfs/dbraw/zinc/21/55/39/327215539.db2.gz TZDIFFQEZCTCIT-GOSISDBHSA-N 1 1 355.394 2.112 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173267812 327245389 /nfs/dbraw/zinc/24/53/89/327245389.db2.gz BEYHNCIJTFMTJK-OCCSQVGLSA-N 1 1 355.460 2.260 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000173310508 327249177 /nfs/dbraw/zinc/24/91/77/327249177.db2.gz KDRYKVPTLLYPFW-UHFFFAOYSA-N 1 1 352.416 2.167 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000173412386 327254704 /nfs/dbraw/zinc/25/47/04/327254704.db2.gz GBMORJILKBGZFE-LLVKDONJSA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000173412386 327254705 /nfs/dbraw/zinc/25/47/05/327254705.db2.gz GBMORJILKBGZFE-LLVKDONJSA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000173532164 327264318 /nfs/dbraw/zinc/26/43/18/327264318.db2.gz BSEGBRFPDDRZNX-LBPRGKRZSA-N 1 1 371.846 2.191 20 5 FEBDMO COC(=O)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)c(F)c1 ZINC000174856898 327355708 /nfs/dbraw/zinc/35/57/08/327355708.db2.gz WWQDNUGHKOELET-UHFFFAOYSA-N 1 1 368.340 2.135 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000175167486 327377814 /nfs/dbraw/zinc/37/78/14/327377814.db2.gz ABTBQQJKPKDQLX-INIZCTEOSA-N 1 1 357.414 2.076 20 5 FEBDMO Cc1c(C[NH+]2CCN(c3ccc(C(N)=O)cc3)CC2)cccc1[N+](=O)[O-] ZINC000265450803 329128176 /nfs/dbraw/zinc/12/81/76/329128176.db2.gz KMSWHKMJMDMRMG-UHFFFAOYSA-N 1 1 354.410 2.324 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920792 329172887 /nfs/dbraw/zinc/17/28/87/329172887.db2.gz BPTZWJQAQQGNPF-GFCCVEGCSA-N 1 1 351.403 2.074 20 5 FEBDMO COc1cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980821 329178866 /nfs/dbraw/zinc/17/88/66/329178866.db2.gz YXSQRJHKRGRKHO-CHWSQXEVSA-N 1 1 365.430 2.462 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265982063 329179043 /nfs/dbraw/zinc/17/90/43/329179043.db2.gz ZERXISPRBAGUFG-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266095541 329189825 /nfs/dbraw/zinc/18/98/25/329189825.db2.gz FEDIDSLFCKKMDI-ZDUSSCGKSA-N 1 1 363.414 2.312 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000266291711 329208674 /nfs/dbraw/zinc/20/86/74/329208674.db2.gz MAJKUPKPAXFRPH-AWEZNQCLSA-N 1 1 355.460 2.256 20 5 FEBDMO CCC[N@H+]1CCCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000369322407 330239180 /nfs/dbraw/zinc/23/91/80/330239180.db2.gz COYHIKXUOPBDIP-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000371458484 330244000 /nfs/dbraw/zinc/24/40/00/330244000.db2.gz KTMLABUIIYZXSR-MOEXGYKKSA-N 1 1 372.469 2.235 20 5 FEBDMO C[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@H+]1C1CCN(C)CC1 ZINC000371458484 330244002 /nfs/dbraw/zinc/24/40/02/330244002.db2.gz KTMLABUIIYZXSR-MOEXGYKKSA-N 1 1 372.469 2.235 20 5 FEBDMO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000375783091 330251133 /nfs/dbraw/zinc/25/11/33/330251133.db2.gz BIRLZXVUEGKQJR-WBVHZDCISA-N 1 1 363.414 2.464 20 5 FEBDMO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000375783091 330251134 /nfs/dbraw/zinc/25/11/34/330251134.db2.gz BIRLZXVUEGKQJR-WBVHZDCISA-N 1 1 363.414 2.464 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000440868197 330278022 /nfs/dbraw/zinc/27/80/22/330278022.db2.gz ZPKPLPFTYGZCTJ-UHFFFAOYSA-N 1 1 366.226 2.100 20 5 FEBDMO CCOC(=O)c1cc(NC[C@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000127006771 517693055 /nfs/dbraw/zinc/69/30/55/517693055.db2.gz MGQPHMBPTRAIKA-ZDUSSCGKSA-N 1 1 351.403 2.152 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000155524344 545537101 /nfs/dbraw/zinc/53/71/01/545537101.db2.gz RJFRRNZWGPRKEL-CQSZACIVSA-N 1 1 362.430 2.018 20 5 FEBDMO CC(=O)NC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000155573052 545544733 /nfs/dbraw/zinc/54/47/33/545544733.db2.gz GQTMAQYBLALTQR-OAHLLOKOSA-N 1 1 371.441 2.343 20 5 FEBDMO O=C(CC[N@H+]1CCCN(CC(F)(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000155899769 545581895 /nfs/dbraw/zinc/58/18/95/545581895.db2.gz YBIIPGGPVNAGQA-UHFFFAOYSA-N 1 1 374.363 2.493 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000157660710 545766527 /nfs/dbraw/zinc/76/65/27/545766527.db2.gz LIFYQRNTEHERQC-JTQLQIEISA-N 1 1 350.293 2.111 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000157660710 545766534 /nfs/dbraw/zinc/76/65/34/545766534.db2.gz LIFYQRNTEHERQC-JTQLQIEISA-N 1 1 350.293 2.111 20 5 FEBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158290077 545844834 /nfs/dbraw/zinc/84/48/34/545844834.db2.gz KDEQQFJNKSYYQL-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158290077 545844841 /nfs/dbraw/zinc/84/48/41/545844841.db2.gz KDEQQFJNKSYYQL-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478010535 561158095 /nfs/dbraw/zinc/15/80/95/561158095.db2.gz PJWSGTKLSBTFIH-GJZGRUSLSA-N 1 1 350.419 2.235 20 5 FEBDMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478010535 561158096 /nfs/dbraw/zinc/15/80/96/561158096.db2.gz PJWSGTKLSBTFIH-GJZGRUSLSA-N 1 1 350.419 2.235 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000159055271 545918004 /nfs/dbraw/zinc/91/80/04/545918004.db2.gz VXGGNABISFSZOJ-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO Nc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc(F)cc1[N+](=O)[O-] ZINC000159061187 545918655 /nfs/dbraw/zinc/91/86/55/545918655.db2.gz HGKPDGGEAGNQMG-CQSZACIVSA-N 1 1 362.361 2.476 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000159302809 545941491 /nfs/dbraw/zinc/94/14/91/545941491.db2.gz PKRVLZLCCIOORW-GOSISDBHSA-N 1 1 369.421 2.052 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000161103279 546100798 /nfs/dbraw/zinc/10/07/98/546100798.db2.gz MZHGZDBOWQZSGW-GUTXKFCHSA-N 1 1 365.405 2.448 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000161103279 546100800 /nfs/dbraw/zinc/10/08/00/546100800.db2.gz MZHGZDBOWQZSGW-GUTXKFCHSA-N 1 1 365.405 2.448 20 5 FEBDMO CC[NH2+][C@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000479795484 561197249 /nfs/dbraw/zinc/19/72/49/561197249.db2.gz JRXJJGPHLXUVQH-SSDOTTSWSA-N 1 1 356.231 2.178 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000175769673 546346535 /nfs/dbraw/zinc/34/65/35/546346535.db2.gz QZDIMPTWMYEPIL-UHFFFAOYSA-N 1 1 363.462 2.158 20 5 FEBDMO CCC(CC)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)[NH+]1CCOCC1 ZINC000175954396 546378815 /nfs/dbraw/zinc/37/88/15/546378815.db2.gz IYFSJCISHWKNGV-INIZCTEOSA-N 1 1 364.446 2.044 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000177205884 546569637 /nfs/dbraw/zinc/56/96/37/546569637.db2.gz DVBYBEWPPVXCAJ-RYUDHWBXSA-N 1 1 363.414 2.357 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000481612345 561237346 /nfs/dbraw/zinc/23/73/46/561237346.db2.gz GVGSFJNTCXPCPP-GFCCVEGCSA-N 1 1 373.413 2.381 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000481838978 561243607 /nfs/dbraw/zinc/24/36/07/561243607.db2.gz RTNDCUHNDKQVAC-UHFFFAOYSA-N 1 1 364.837 2.216 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000179754240 547008913 /nfs/dbraw/zinc/00/89/13/547008913.db2.gz CRLCMVMJKNINJJ-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000482869639 561261723 /nfs/dbraw/zinc/26/17/23/561261723.db2.gz CHTYTZHDNYRJHF-HIFRSBDPSA-N 1 1 356.382 2.145 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181093143 547247918 /nfs/dbraw/zinc/24/79/18/547247918.db2.gz DXPYOIMAQNUIGH-CJNGLKHVSA-N 1 1 369.425 2.212 20 5 FEBDMO C[C@H](O)C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000181786000 547380324 /nfs/dbraw/zinc/38/03/24/547380324.db2.gz WVMPZUCXELTPAF-AWEZNQCLSA-N 1 1 370.471 2.384 20 5 FEBDMO CS(=O)(=O)C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181793128 547380946 /nfs/dbraw/zinc/38/09/46/547380946.db2.gz OHCDTEIIBNRUQF-HNNXBMFYSA-N 1 1 364.423 2.349 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000182579265 547515992 /nfs/dbraw/zinc/51/59/92/547515992.db2.gz AJVQFWXRPLIBKZ-ZDUSSCGKSA-N 1 1 363.414 2.421 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000183147536 547610117 /nfs/dbraw/zinc/61/01/17/547610117.db2.gz LSSXDMDXXVFDCZ-JSGCOSHPSA-N 1 1 371.434 2.147 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])s1 ZINC000183461459 547665402 /nfs/dbraw/zinc/66/54/02/547665402.db2.gz YIRRJRCUGNIPET-CQSZACIVSA-N 1 1 361.423 2.153 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccncc2[N+](=O)[O-])cn1 ZINC000183563276 547680957 /nfs/dbraw/zinc/68/09/57/547680957.db2.gz ALVHCJLGBANVFQ-UHFFFAOYSA-N 1 1 353.342 2.201 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183766558 547716023 /nfs/dbraw/zinc/71/60/23/547716023.db2.gz MSLFANZRFAGERV-MRXNPFEDSA-N 1 1 373.384 2.231 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184118776 547772723 /nfs/dbraw/zinc/77/27/23/547772723.db2.gz ZIUNMDDLFFEGIE-CQSZACIVSA-N 1 1 363.414 2.051 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184118776 547772728 /nfs/dbraw/zinc/77/27/28/547772728.db2.gz ZIUNMDDLFFEGIE-CQSZACIVSA-N 1 1 363.414 2.051 20 5 FEBDMO CSc1ccc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184325285 547808117 /nfs/dbraw/zinc/80/81/17/547808117.db2.gz OSFIVRPNIUCAMP-ZDUSSCGKSA-N 1 1 366.487 2.073 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000184766254 547877053 /nfs/dbraw/zinc/87/70/53/547877053.db2.gz VAIRLZHWRTUFKP-INIZCTEOSA-N 1 1 363.458 2.079 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000184885903 547893672 /nfs/dbraw/zinc/89/36/72/547893672.db2.gz OEMGUYREQASWQP-IRXDYDNUSA-N 1 1 363.458 2.079 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000184915395 547899025 /nfs/dbraw/zinc/89/90/25/547899025.db2.gz VQTYLUKZKKHOCG-IAQYHMDHSA-N 1 1 373.450 2.393 20 5 FEBDMO COc1cccc(-c2noc([C@H](C)[NH2+]CCn3ccc([N+](=O)[O-])n3)n2)c1 ZINC000185114143 547935800 /nfs/dbraw/zinc/93/58/00/547935800.db2.gz RCZZCJMQQRGABZ-NSHDSACASA-N 1 1 358.358 2.201 20 5 FEBDMO C[C@@H](c1ccsc1)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000185490261 547991976 /nfs/dbraw/zinc/99/19/76/547991976.db2.gz LCVYDSBWYFNSPT-NSHDSACASA-N 1 1 361.427 2.033 20 5 FEBDMO CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186302264 548114405 /nfs/dbraw/zinc/11/44/05/548114405.db2.gz BDOXGOMNXJCNOC-KRWDZBQOSA-N 1 1 371.441 2.223 20 5 FEBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000186891112 548213168 /nfs/dbraw/zinc/21/31/68/548213168.db2.gz AARCWWZFVNILJG-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000186891112 548213173 /nfs/dbraw/zinc/21/31/73/548213173.db2.gz AARCWWZFVNILJG-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO CN(C)C1(C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCC1 ZINC000186977948 548233211 /nfs/dbraw/zinc/23/32/11/548233211.db2.gz DBUCZDTUZIYDON-UHFFFAOYSA-N 1 1 352.410 2.479 20 5 FEBDMO CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1([NH+](C)C)CCC1 ZINC000186977948 548233214 /nfs/dbraw/zinc/23/32/14/548233214.db2.gz DBUCZDTUZIYDON-UHFFFAOYSA-N 1 1 352.410 2.479 20 5 FEBDMO Cc1cc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000193626130 548391186 /nfs/dbraw/zinc/39/11/86/548391186.db2.gz DPBDXFKUKWQADQ-INIZCTEOSA-N 1 1 350.419 2.382 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000193947439 548411841 /nfs/dbraw/zinc/41/18/41/548411841.db2.gz LKIXEYLDKGDXLB-CYBMUJFWSA-N 1 1 350.419 2.135 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000194729368 548522531 /nfs/dbraw/zinc/52/25/31/548522531.db2.gz USRHDOKIEFQTOP-BETUJISGSA-N 1 1 369.849 2.358 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000194729368 548522537 /nfs/dbraw/zinc/52/25/37/548522537.db2.gz USRHDOKIEFQTOP-BETUJISGSA-N 1 1 369.849 2.358 20 5 FEBDMO O=C(C[N@@H+](CCCO)Cc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000486798688 561356969 /nfs/dbraw/zinc/35/69/69/561356969.db2.gz GEIZKBZPJMULHO-UHFFFAOYSA-N 1 1 369.421 2.369 20 5 FEBDMO O=C(C[N@H+](CCCO)Cc1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000486798688 561356970 /nfs/dbraw/zinc/35/69/70/561356970.db2.gz GEIZKBZPJMULHO-UHFFFAOYSA-N 1 1 369.421 2.369 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000194902685 548547609 /nfs/dbraw/zinc/54/76/09/548547609.db2.gz MJLPHBKKWWOKGT-GFCCVEGCSA-N 1 1 361.402 2.244 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000194961496 548556865 /nfs/dbraw/zinc/55/68/65/548556865.db2.gz LMUZBNSJNSZMCJ-IRXDYDNUSA-N 1 1 369.421 2.268 20 5 FEBDMO Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245447678 548924174 /nfs/dbraw/zinc/92/41/74/548924174.db2.gz MHUNFQXDKMMYRM-NVXWUHKLSA-N 1 1 372.425 2.224 20 5 FEBDMO C[N@@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000245684981 548974413 /nfs/dbraw/zinc/97/44/13/548974413.db2.gz KQDRPQNQHHTLJR-GOSISDBHSA-N 1 1 354.410 2.182 20 5 FEBDMO C[N@H+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000245684981 548974417 /nfs/dbraw/zinc/97/44/17/548974417.db2.gz KQDRPQNQHHTLJR-GOSISDBHSA-N 1 1 354.410 2.182 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000488216292 561386217 /nfs/dbraw/zinc/38/62/17/561386217.db2.gz JKSDUQZQYWXHKS-LBPRGKRZSA-N 1 1 353.444 2.157 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246380230 549118633 /nfs/dbraw/zinc/11/86/33/549118633.db2.gz OPFRNMQMPLKHHR-ZFWWWQNUSA-N 1 1 365.455 2.232 20 5 FEBDMO COC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000246628298 549177788 /nfs/dbraw/zinc/17/77/88/549177788.db2.gz CIZFXGVYOPMELQ-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000246628298 549177792 /nfs/dbraw/zinc/17/77/92/549177792.db2.gz CIZFXGVYOPMELQ-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000246810099 549218040 /nfs/dbraw/zinc/21/80/40/549218040.db2.gz NXIHSRXALKAVCD-GUYCJALGSA-N 1 1 364.446 2.165 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000246984380 549257297 /nfs/dbraw/zinc/25/72/97/549257297.db2.gz JWIMPPWDWPYEOE-GXTWGEPZSA-N 1 1 355.460 2.315 20 5 FEBDMO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000247087824 549282043 /nfs/dbraw/zinc/28/20/43/549282043.db2.gz UCIWNATYFYYLMP-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000247087824 549282046 /nfs/dbraw/zinc/28/20/46/549282046.db2.gz UCIWNATYFYYLMP-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247138456 549290245 /nfs/dbraw/zinc/29/02/45/549290245.db2.gz JPKKHZYVPFQLBW-CHWSQXEVSA-N 1 1 363.414 2.311 20 5 FEBDMO Cn1cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247267123 549308176 /nfs/dbraw/zinc/30/81/76/549308176.db2.gz XWYBXAOXKCNKJK-QZTJIDSGSA-N 1 1 372.425 2.375 20 5 FEBDMO Cn1cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247267123 549308180 /nfs/dbraw/zinc/30/81/80/549308180.db2.gz XWYBXAOXKCNKJK-QZTJIDSGSA-N 1 1 372.425 2.375 20 5 FEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000248474067 549448192 /nfs/dbraw/zinc/44/81/92/549448192.db2.gz XCCRRFWXOHLDFA-KBRIMQKVSA-N 1 1 352.431 2.470 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000249082618 549548784 /nfs/dbraw/zinc/54/87/84/549548784.db2.gz MUERUWVLSIBFCA-KGLIPLIRSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000249082618 549548787 /nfs/dbraw/zinc/54/87/87/549548787.db2.gz MUERUWVLSIBFCA-KGLIPLIRSA-N 1 1 350.419 2.130 20 5 FEBDMO C[C@@H](C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000249365925 549584076 /nfs/dbraw/zinc/58/40/76/549584076.db2.gz MNEISASVNBDCTL-CHWSQXEVSA-N 1 1 367.421 2.141 20 5 FEBDMO CC[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000249548342 549603557 /nfs/dbraw/zinc/60/35/57/549603557.db2.gz GZTMTJMSUWGMCC-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000249548342 549603561 /nfs/dbraw/zinc/60/35/61/549603561.db2.gz GZTMTJMSUWGMCC-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255333057 549705207 /nfs/dbraw/zinc/70/52/07/549705207.db2.gz ORLCFZSPCCFZFW-DAXSKMNVSA-N 1 1 368.437 2.088 20 5 FEBDMO CCS(=O)(=O)N(C)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255537476 549706393 /nfs/dbraw/zinc/70/63/93/549706393.db2.gz OSEZAJHLWKHLSA-VURMDHGXSA-N 1 1 367.471 2.354 20 5 FEBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262090443 549788068 /nfs/dbraw/zinc/78/80/68/549788068.db2.gz YLMADJSHGYMHQE-KRWDZBQOSA-N 1 1 371.393 2.155 20 5 FEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+](CCn2cncn2)CC1 ZINC000264163858 549986912 /nfs/dbraw/zinc/98/69/12/549986912.db2.gz YKHBILQMIYVMNM-UHFFFAOYSA-N 1 1 370.335 2.027 20 5 FEBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000491287516 561444450 /nfs/dbraw/zinc/44/44/50/561444450.db2.gz YTTMFTSTNLVUNR-IBGZPJMESA-N 1 1 374.416 2.389 20 5 FEBDMO Cc1cnc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000491320795 561444769 /nfs/dbraw/zinc/44/47/69/561444769.db2.gz HLYCLCRVSMHUTI-IBGZPJMESA-N 1 1 356.426 2.371 20 5 FEBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(C)(C)O ZINC000268526301 550082502 /nfs/dbraw/zinc/08/25/02/550082502.db2.gz HHRXZYWZBYLUSW-UHFFFAOYSA-N 1 1 353.419 2.415 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269653615 550214405 /nfs/dbraw/zinc/21/44/05/550214405.db2.gz MXETYGYEGOOVRF-UONOGXRCSA-N 1 1 367.413 2.304 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269653615 550214407 /nfs/dbraw/zinc/21/44/07/550214407.db2.gz MXETYGYEGOOVRF-UONOGXRCSA-N 1 1 367.413 2.304 20 5 FEBDMO CCOc1cc(CN2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000493550742 561456873 /nfs/dbraw/zinc/45/68/73/561456873.db2.gz RMRUUUBDIUBTBU-CQSZACIVSA-N 1 1 351.447 2.271 20 5 FEBDMO O=C1CCCN1[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000270864970 550315215 /nfs/dbraw/zinc/31/52/15/550315215.db2.gz INJXSPWPSZCONK-INIZCTEOSA-N 1 1 370.409 2.489 20 5 FEBDMO CN(C)c1ncc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000271183085 550349556 /nfs/dbraw/zinc/34/95/56/550349556.db2.gz IOZDHFLXMREWGR-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272262673 550432278 /nfs/dbraw/zinc/43/22/78/550432278.db2.gz AVIMHEJZYXSGQR-BZNIZROVSA-N 1 1 356.382 2.015 20 5 FEBDMO COc1cc(C[NH2+]CC2(C)OCCO2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272507831 550454271 /nfs/dbraw/zinc/45/42/71/550454271.db2.gz WOXKMYWALSKKEG-UHFFFAOYSA-N 1 1 362.329 2.100 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000272525920 550455618 /nfs/dbraw/zinc/45/56/18/550455618.db2.gz DXHADMQDGOKMCE-UHFFFAOYSA-N 1 1 350.419 2.132 20 5 FEBDMO Cn1ccnc1[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272566946 550458119 /nfs/dbraw/zinc/45/81/19/550458119.db2.gz VFXFBHPWSVTLHS-KSSFIOAISA-N 1 1 355.442 2.492 20 5 FEBDMO C[C@@H](NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272926808 550477026 /nfs/dbraw/zinc/47/70/26/550477026.db2.gz KRTLSYURMHBFJC-OAHLLOKOSA-N 1 1 373.457 2.077 20 5 FEBDMO C[C@@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1=CC[N@@H+](C)CC1 ZINC000272974623 550478962 /nfs/dbraw/zinc/47/89/62/550478962.db2.gz ORMMRQRPXGALRL-CYBMUJFWSA-N 1 1 355.398 2.161 20 5 FEBDMO C[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1cn[nH]c1 ZINC000494636689 561473187 /nfs/dbraw/zinc/47/31/87/561473187.db2.gz JFHZKHYMUUMQCN-MRVPVSSYSA-N 1 1 368.191 2.370 20 5 FEBDMO CCOc1cc(C[N@@H+](C)C[C@H](O)COCCOC(C)C)ccc1[N+](=O)[O-] ZINC000276904001 550609417 /nfs/dbraw/zinc/60/94/17/550609417.db2.gz MBQVVENOUHWMQF-INIZCTEOSA-N 1 1 370.446 2.228 20 5 FEBDMO CCNC(=O)C1(C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277202419 550642870 /nfs/dbraw/zinc/64/28/70/550642870.db2.gz JNBOXDLIPIHRKT-MRXNPFEDSA-N 1 1 371.441 2.314 20 5 FEBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000277980493 550735272 /nfs/dbraw/zinc/73/52/72/550735272.db2.gz FWHPJWLDYKCDPA-UHFFFAOYSA-N 1 1 363.399 2.171 20 5 FEBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000277980493 550735273 /nfs/dbraw/zinc/73/52/73/550735273.db2.gz FWHPJWLDYKCDPA-UHFFFAOYSA-N 1 1 363.399 2.171 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000278640916 550807084 /nfs/dbraw/zinc/80/70/84/550807084.db2.gz JBDMGXLYDYOICR-MLGOLLRUSA-N 1 1 372.429 2.097 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278920649 550836046 /nfs/dbraw/zinc/83/60/46/550836046.db2.gz RNZVIGCJOMMNGY-ZBFHGGJFSA-N 1 1 367.471 2.464 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000278920649 550836047 /nfs/dbraw/zinc/83/60/47/550836047.db2.gz RNZVIGCJOMMNGY-ZBFHGGJFSA-N 1 1 367.471 2.464 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000279158233 550860040 /nfs/dbraw/zinc/86/00/40/550860040.db2.gz FMCFQUFRFKJJKF-ZDUSSCGKSA-N 1 1 372.425 2.401 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000279978852 550948905 /nfs/dbraw/zinc/94/89/05/550948905.db2.gz ZHYXKIZLASXNHC-CHWSQXEVSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000279978852 550948907 /nfs/dbraw/zinc/94/89/07/550948907.db2.gz ZHYXKIZLASXNHC-CHWSQXEVSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280566602 551008303 /nfs/dbraw/zinc/00/83/03/551008303.db2.gz RQBIRKIVNGGRHO-KDOFPFPSSA-N 1 1 363.414 2.112 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000281038075 551057172 /nfs/dbraw/zinc/05/71/72/551057172.db2.gz VDXDYNYTMRBNGI-TXEJJXNPSA-N 1 1 366.418 2.076 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000281038075 551057173 /nfs/dbraw/zinc/05/71/73/551057173.db2.gz VDXDYNYTMRBNGI-TXEJJXNPSA-N 1 1 366.418 2.076 20 5 FEBDMO Cn1c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000496448296 561493999 /nfs/dbraw/zinc/49/39/99/561493999.db2.gz QPQQUNYXZSQHTA-UHFFFAOYSA-N 1 1 360.389 2.421 20 5 FEBDMO Cn1c(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000496448296 561494000 /nfs/dbraw/zinc/49/40/00/561494000.db2.gz QPQQUNYXZSQHTA-UHFFFAOYSA-N 1 1 360.389 2.421 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000281660834 551127018 /nfs/dbraw/zinc/12/70/18/551127018.db2.gz CJCHCDIALRJTDT-UHFFFAOYSA-N 1 1 354.838 2.004 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281702202 551132432 /nfs/dbraw/zinc/13/24/32/551132432.db2.gz QMQMCGJCGLEIJZ-UHFFFAOYSA-N 1 1 351.794 2.453 20 5 FEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cnc2ccccc2c1=O ZINC000282454603 551231430 /nfs/dbraw/zinc/23/14/30/551231430.db2.gz MDRLONCDDNDLNY-UHFFFAOYSA-N 1 1 352.394 2.479 20 5 FEBDMO Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](Cc2ccco2)CC1 ZINC000282579638 551248515 /nfs/dbraw/zinc/24/85/15/551248515.db2.gz WJBLYCGWYHVEAC-UHFFFAOYSA-N 1 1 368.397 2.306 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498224669 561519206 /nfs/dbraw/zinc/51/92/06/561519206.db2.gz AKIYHOQILVEEDQ-CHWSQXEVSA-N 1 1 350.419 2.228 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000498224670 561519356 /nfs/dbraw/zinc/51/93/56/561519356.db2.gz AKIYHOQILVEEDQ-OLZOCXBDSA-N 1 1 350.419 2.228 20 5 FEBDMO CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000284769170 551628804 /nfs/dbraw/zinc/62/88/04/551628804.db2.gz GZHMUTNDQBVLDK-RDJZCZTQSA-N 1 1 359.382 2.380 20 5 FEBDMO CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H]1c1ccccc1 ZINC000284769170 551628806 /nfs/dbraw/zinc/62/88/06/551628806.db2.gz GZHMUTNDQBVLDK-RDJZCZTQSA-N 1 1 359.382 2.380 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C[C@@H]1C ZINC000498552939 561528064 /nfs/dbraw/zinc/52/80/64/561528064.db2.gz DGIFDMQJZGQNJY-QWHCGFSZSA-N 1 1 372.429 2.039 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@@H]1C ZINC000498557993 561528472 /nfs/dbraw/zinc/52/84/72/561528472.db2.gz XNPZQASJBBJRIP-UONOGXRCSA-N 1 1 357.414 2.335 20 5 FEBDMO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284937727 551671792 /nfs/dbraw/zinc/67/17/92/551671792.db2.gz DRSWBQBMAGNQBR-ZDUSSCGKSA-N 1 1 359.430 2.363 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285399449 551750036 /nfs/dbraw/zinc/75/00/36/551750036.db2.gz XRPSVNZCITZOJZ-UONOGXRCSA-N 1 1 353.806 2.102 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000499690392 561556337 /nfs/dbraw/zinc/55/63/37/561556337.db2.gz IDFAUBRZVVWAIS-HNNXBMFYSA-N 1 1 363.414 2.376 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000288417522 552150080 /nfs/dbraw/zinc/15/00/80/552150080.db2.gz NQBQSSYOQJABEY-IBGZPJMESA-N 1 1 369.425 2.365 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000288417522 552150081 /nfs/dbraw/zinc/15/00/81/552150081.db2.gz NQBQSSYOQJABEY-IBGZPJMESA-N 1 1 369.425 2.365 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1[N+](=O)[O-] ZINC000288417522 552150082 /nfs/dbraw/zinc/15/00/82/552150082.db2.gz NQBQSSYOQJABEY-IBGZPJMESA-N 1 1 369.425 2.365 20 5 FEBDMO CC[C@@H](C)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)OC ZINC000499785226 561558480 /nfs/dbraw/zinc/55/84/80/561558480.db2.gz IBEXTNGAMJQYDX-GFCCVEGCSA-N 1 1 365.386 2.166 20 5 FEBDMO COCCOCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000288761968 552207835 /nfs/dbraw/zinc/20/78/35/552207835.db2.gz HJKKHVDGKQNHGO-LBPRGKRZSA-N 1 1 350.375 2.301 20 5 FEBDMO COCCOCC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000288761968 552207836 /nfs/dbraw/zinc/20/78/36/552207836.db2.gz HJKKHVDGKQNHGO-LBPRGKRZSA-N 1 1 350.375 2.301 20 5 FEBDMO COc1ccc(C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)cc1 ZINC000288979740 552247522 /nfs/dbraw/zinc/24/75/22/552247522.db2.gz ZHNCJAPVDOTRFV-INIZCTEOSA-N 1 1 362.430 2.462 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000500118116 561566294 /nfs/dbraw/zinc/56/62/94/561566294.db2.gz CTXPXYDXSOCFER-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000500176102 561567318 /nfs/dbraw/zinc/56/73/18/561567318.db2.gz FXTSLGOIVZRJED-UHFFFAOYSA-N 1 1 366.462 2.144 20 5 FEBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCN(c3ccccc3[N+](=O)[O-])CC1)C2 ZINC000289342125 552304466 /nfs/dbraw/zinc/30/44/66/552304466.db2.gz JNAPSLQUZWDOQX-OAHLLOKOSA-N 1 1 369.425 2.011 20 5 FEBDMO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)NC(=O)NC1=O ZINC000289661885 552358154 /nfs/dbraw/zinc/35/81/54/552358154.db2.gz NFHVIVKOKPAJNK-BLLLJJGKSA-N 1 1 366.805 2.201 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000290515620 552491351 /nfs/dbraw/zinc/49/13/51/552491351.db2.gz QAVHNECNRIKEFA-HNNXBMFYSA-N 1 1 374.397 2.108 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C1CC1 ZINC000290979914 552571749 /nfs/dbraw/zinc/57/17/49/552571749.db2.gz RJOPFGJATQMBTO-INIZCTEOSA-N 1 1 369.425 2.411 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000291999476 552683256 /nfs/dbraw/zinc/68/32/56/552683256.db2.gz LIILDPKOOCZFRA-ZDUSSCGKSA-N 1 1 353.444 2.090 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292070838 552690439 /nfs/dbraw/zinc/69/04/39/552690439.db2.gz DOKUMNDFRFOECK-MRXNPFEDSA-N 1 1 352.822 2.214 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000292171200 552701216 /nfs/dbraw/zinc/70/12/16/552701216.db2.gz PSAPJTMDYFXGQH-RDJZCZTQSA-N 1 1 350.415 2.083 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](O)C12CCCC2 ZINC000292644877 552745891 /nfs/dbraw/zinc/74/58/91/552745891.db2.gz HPGLPLVMWGZFQM-INIZCTEOSA-N 1 1 363.414 2.311 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293470096 552827038 /nfs/dbraw/zinc/82/70/38/552827038.db2.gz ZUCLLCRXYODVSK-UHFFFAOYSA-N 1 1 363.336 2.312 20 5 FEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H](O)Cc1ccccc1 ZINC000293491590 552829266 /nfs/dbraw/zinc/82/92/66/552829266.db2.gz ZBZPYIXTQBMBNI-SFHVURJKSA-N 1 1 358.394 2.497 20 5 FEBDMO C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H](O)Cc1ccccc1 ZINC000293491590 552829267 /nfs/dbraw/zinc/82/92/67/552829267.db2.gz ZBZPYIXTQBMBNI-SFHVURJKSA-N 1 1 358.394 2.497 20 5 FEBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501977025 561609145 /nfs/dbraw/zinc/60/91/45/561609145.db2.gz QKEDYCPMCFYZSS-LBPRGKRZSA-N 1 1 350.419 2.158 20 5 FEBDMO CCCN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000501992546 561609488 /nfs/dbraw/zinc/60/94/88/561609488.db2.gz CCRNDORTJIPTIJ-UHFFFAOYSA-N 1 1 362.430 2.256 20 5 FEBDMO CCCN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C(C)(C)C1=O ZINC000501992546 561609489 /nfs/dbraw/zinc/60/94/89/561609489.db2.gz CCRNDORTJIPTIJ-UHFFFAOYSA-N 1 1 362.430 2.256 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295482910 553014418 /nfs/dbraw/zinc/01/44/18/553014418.db2.gz ODTHMIJJWIKPJG-UONOGXRCSA-N 1 1 367.471 2.038 20 5 FEBDMO COC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000296669224 553195954 /nfs/dbraw/zinc/19/59/54/553195954.db2.gz KQCLAXGSUSEWOV-KRWDZBQOSA-N 1 1 351.403 2.290 20 5 FEBDMO CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000296680296 553197340 /nfs/dbraw/zinc/19/73/40/553197340.db2.gz XBCZTCFIDTYLFR-YOEHRIQHSA-N 1 1 364.446 2.312 20 5 FEBDMO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296849647 553219998 /nfs/dbraw/zinc/21/99/98/553219998.db2.gz FPMUCGXPYCNNQM-QGZVFWFLSA-N 1 1 373.457 2.045 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)CN1CCN(C)CC1 ZINC000297222113 553265900 /nfs/dbraw/zinc/26/59/00/553265900.db2.gz STLVWFHVPVMABD-ZDUSSCGKSA-N 1 1 359.430 2.199 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000297222113 553265902 /nfs/dbraw/zinc/26/59/02/553265902.db2.gz STLVWFHVPVMABD-ZDUSSCGKSA-N 1 1 359.430 2.199 20 5 FEBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297776007 553337393 /nfs/dbraw/zinc/33/73/93/553337393.db2.gz GKTGOOYTMQPEMB-QWHCGFSZSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000299210405 553531290 /nfs/dbraw/zinc/53/12/90/553531290.db2.gz GTVLPJOUVLDFGJ-LJQANCHMSA-N 1 1 374.441 2.094 20 5 FEBDMO C[NH+]1CCC(N2CCC(NC(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CC1 ZINC000299640215 553594275 /nfs/dbraw/zinc/59/42/75/553594275.db2.gz IKNVJQOZFYVOMA-UHFFFAOYSA-N 1 1 364.421 2.022 20 5 FEBDMO O=C(NC1CC1)c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000301367342 553645655 /nfs/dbraw/zinc/64/56/55/553645655.db2.gz RKDLJXBFYXWWFD-UAGQMJEPSA-N 1 1 370.453 2.408 20 5 FEBDMO COC(=O)c1cnc(N2CC[NH+](Cc3cccc(C)c3)CC2)c([N+](=O)[O-])c1 ZINC000302746207 553730418 /nfs/dbraw/zinc/73/04/18/553730418.db2.gz FQSXFFJGVQRKIH-UHFFFAOYSA-N 1 1 370.409 2.407 20 5 FEBDMO Cn1nnc2cc(C[NH+]3CCN(c4ccccc4[N+](=O)[O-])CC3)ccc21 ZINC000505640755 561676014 /nfs/dbraw/zinc/67/60/14/561676014.db2.gz SOLXFYAPQOZKLU-UHFFFAOYSA-N 1 1 352.398 2.199 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+](Cc2ccccc2)C1 ZINC000324065944 553770979 /nfs/dbraw/zinc/77/09/79/553770979.db2.gz XCNZAUHHUSHTMZ-AWEZNQCLSA-N 1 1 369.425 2.166 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000330499347 554130157 /nfs/dbraw/zinc/13/01/57/554130157.db2.gz HTYLLZIXCFQMKM-UHFFFAOYSA-N 1 1 353.444 2.091 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000330879785 554182423 /nfs/dbraw/zinc/18/24/23/554182423.db2.gz AYPLQHKYWMNOBO-KBPBESRZSA-N 1 1 355.460 2.254 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000331299030 554243582 /nfs/dbraw/zinc/24/35/82/554243582.db2.gz OHFAPFOCEBWNBT-LLVKDONJSA-N 1 1 361.851 2.399 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331378473 554254285 /nfs/dbraw/zinc/25/42/85/554254285.db2.gz LUSVRVANQDPWIS-LSDHHAIUSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331378473 554254287 /nfs/dbraw/zinc/25/42/87/554254287.db2.gz LUSVRVANQDPWIS-LSDHHAIUSA-N 1 1 374.441 2.256 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000509011819 561781480 /nfs/dbraw/zinc/78/14/80/561781480.db2.gz COAUQSXWHFXBIS-LBPRGKRZSA-N 1 1 368.821 2.177 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000332013179 554363474 /nfs/dbraw/zinc/36/34/74/554363474.db2.gz PMRKIGYUJSSYSB-GXFFZTMASA-N 1 1 355.341 2.362 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508731 554458645 /nfs/dbraw/zinc/45/86/45/554458645.db2.gz HAPKHESIZUIDPI-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO CCOc1cc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000510739025 561844906 /nfs/dbraw/zinc/84/49/06/561844906.db2.gz BHZUTSBWNMBNCX-GFCCVEGCSA-N 1 1 363.414 2.382 20 5 FEBDMO Cc1nc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c(C)[nH+]1 ZINC000612452967 554784165 /nfs/dbraw/zinc/78/41/65/554784165.db2.gz WRLAHJYNDFSOKN-UHFFFAOYSA-N 1 1 350.400 2.196 20 5 FEBDMO CCCN(CC[NH+]1CCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000511347736 561866154 /nfs/dbraw/zinc/86/61/54/561866154.db2.gz YGWFHMIXZBXPTM-UHFFFAOYSA-N 1 1 361.489 2.461 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000361153630 554906748 /nfs/dbraw/zinc/90/67/48/554906748.db2.gz JJAGIKPQWHVNQE-CQSZACIVSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000361153630 554906750 /nfs/dbraw/zinc/90/67/50/554906750.db2.gz JJAGIKPQWHVNQE-CQSZACIVSA-N 1 1 366.849 2.147 20 5 FEBDMO COc1cc(OCC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000362176688 554954280 /nfs/dbraw/zinc/95/42/80/554954280.db2.gz GNEBDIQCKRYGRI-INIZCTEOSA-N 1 1 371.393 2.285 20 5 FEBDMO COc1cc(OCC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000362176688 554954281 /nfs/dbraw/zinc/95/42/81/554954281.db2.gz GNEBDIQCKRYGRI-INIZCTEOSA-N 1 1 371.393 2.285 20 5 FEBDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCCn4c5cc([N+](=O)[O-])ccc5oc4=O)[C@H]1[C@H]3C2 ZINC000511650445 561876179 /nfs/dbraw/zinc/87/61/79/561876179.db2.gz WJVVKSMNZFSJQF-VCMWWZGJSA-N 1 1 373.409 2.248 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363258707 555065705 /nfs/dbraw/zinc/06/57/05/555065705.db2.gz IHVFWLAQKSLEAV-WBTNSWJXSA-N 1 1 358.442 2.338 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2CCc2ccccc2)c1[N+](=O)[O-] ZINC000364221272 555273373 /nfs/dbraw/zinc/27/33/73/555273373.db2.gz NNXDEMBCDGQNDC-HNNXBMFYSA-N 1 1 371.441 2.317 20 5 FEBDMO O=C(CC[N@H+]1CC[C@H]([C@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364232892 555275464 /nfs/dbraw/zinc/27/54/64/555275464.db2.gz BVABDDNYMDRRRU-STQMWFEESA-N 1 1 351.378 2.421 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(-c2cccnc2)n1 ZINC000364328430 555292158 /nfs/dbraw/zinc/29/21/58/555292158.db2.gz NJDCKSTXOTWYMM-MRXNPFEDSA-N 1 1 367.413 2.424 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000364335442 555293411 /nfs/dbraw/zinc/29/34/11/555293411.db2.gz IZOYVHLDZYWNKK-ZBFHGGJFSA-N 1 1 361.358 2.070 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@H](n3cncn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364508899 555326478 /nfs/dbraw/zinc/32/64/78/555326478.db2.gz LFSREYRDUUCDHS-INIZCTEOSA-N 1 1 353.386 2.034 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc([N+](=O)[O-])c1C ZINC000364581406 555344624 /nfs/dbraw/zinc/34/46/24/555344624.db2.gz QHKQLYDTKNMWBP-HRCADAONSA-N 1 1 359.426 2.468 20 5 FEBDMO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000364674186 555370650 /nfs/dbraw/zinc/37/06/50/555370650.db2.gz JEECYFPEJYCRSL-SJORKVTESA-N 1 1 369.425 2.057 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@H]1Cn1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000364743865 555391801 /nfs/dbraw/zinc/39/18/01/555391801.db2.gz UVIIJYJXVUGNDP-KRWDZBQOSA-N 1 1 369.425 2.235 20 5 FEBDMO O=C(C[N@H+]1CCCC[C@H]1Cn1cccn1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000364743865 555391803 /nfs/dbraw/zinc/39/18/03/555391803.db2.gz UVIIJYJXVUGNDP-KRWDZBQOSA-N 1 1 369.425 2.235 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000364743350 555391944 /nfs/dbraw/zinc/39/19/44/555391944.db2.gz QBJYTMYGULOYLJ-IAGOWNOFSA-N 1 1 360.414 2.086 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000364855652 555416241 /nfs/dbraw/zinc/41/62/41/555416241.db2.gz IRHDFHRHWILMGQ-OAHLLOKOSA-N 1 1 364.450 2.012 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@H](c3ccncn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365163736 555499586 /nfs/dbraw/zinc/49/95/86/555499586.db2.gz RJYSLABDEVPJNG-KBXCAEBGSA-N 1 1 367.409 2.370 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@H](c3ccncn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365163736 555499588 /nfs/dbraw/zinc/49/95/88/555499588.db2.gz RJYSLABDEVPJNG-KBXCAEBGSA-N 1 1 367.409 2.370 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000365427274 555572485 /nfs/dbraw/zinc/57/24/85/555572485.db2.gz ZAKSVXKTOMERRV-ZFWWWQNUSA-N 1 1 365.434 2.123 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000365449188 555578948 /nfs/dbraw/zinc/57/89/48/555578948.db2.gz XWEHDGQXKCSMSO-OZAJXLCCSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000365449188 555578951 /nfs/dbraw/zinc/57/89/51/555578951.db2.gz XWEHDGQXKCSMSO-OZAJXLCCSA-N 1 1 353.444 2.075 20 5 FEBDMO O=C1COc2ccc(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc2N1 ZINC000513271273 561931780 /nfs/dbraw/zinc/93/17/80/561931780.db2.gz JNNSFCVJPYMKFR-UHFFFAOYSA-N 1 1 353.338 2.092 20 5 FEBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)c1ccccn1 ZINC000365739111 555656129 /nfs/dbraw/zinc/65/61/29/555656129.db2.gz HHYLROSQFCJAQQ-IEBWSBKVSA-N 1 1 367.409 2.269 20 5 FEBDMO Cc1cc(C2=CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC2)cc([N+](=O)[O-])c1N ZINC000365887379 555692827 /nfs/dbraw/zinc/69/28/27/555692827.db2.gz WPQDIORNEMLNBI-UHFFFAOYSA-N 1 1 372.385 2.379 20 5 FEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366281938 555800668 /nfs/dbraw/zinc/80/06/68/555800668.db2.gz CQQZQWRPTUJZCE-ROUUACIJSA-N 1 1 361.442 2.287 20 5 FEBDMO O=C1NC(=O)[C@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC[C@@H]12 ZINC000366478518 555855919 /nfs/dbraw/zinc/85/59/19/555855919.db2.gz FCCOHQOFPLFMNW-OCCSQVGLSA-N 1 1 371.418 2.418 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c([N+](=O)[O-])c1 ZINC000366777991 555931569 /nfs/dbraw/zinc/93/15/69/555931569.db2.gz BFYTXDNLJGZCLK-YSVLISHTSA-N 1 1 366.414 2.251 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c([N+](=O)[O-])c1 ZINC000366777991 555931573 /nfs/dbraw/zinc/93/15/73/555931573.db2.gz BFYTXDNLJGZCLK-YSVLISHTSA-N 1 1 366.414 2.251 20 5 FEBDMO Cc1c([C@H]2CCC[N@H+]2C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000367332856 556020516 /nfs/dbraw/zinc/02/05/16/556020516.db2.gz JUVSWTURYIUUMT-CRAIPNDOSA-N 1 1 360.414 2.214 20 5 FEBDMO O=C([C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1)N1CCCC1 ZINC000367846924 556153529 /nfs/dbraw/zinc/15/35/29/556153529.db2.gz HBHQUJWNHRPKOE-AWEZNQCLSA-N 1 1 371.397 2.089 20 5 FEBDMO O=C([C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1)N1CCCC1 ZINC000367846924 556153532 /nfs/dbraw/zinc/15/35/32/556153532.db2.gz HBHQUJWNHRPKOE-AWEZNQCLSA-N 1 1 371.397 2.089 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(CC(=O)NC(C)(C)C)CC1 ZINC000368213053 556250391 /nfs/dbraw/zinc/25/03/91/556250391.db2.gz RXJHTWCXQQBYRH-UHFFFAOYSA-N 1 1 362.474 2.326 20 5 FEBDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)nn1 ZINC000368841919 556427518 /nfs/dbraw/zinc/42/75/18/556427518.db2.gz HVYGKYGPCYWLJD-CQSZACIVSA-N 1 1 359.386 2.118 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H](CC(C)C)[NH+]1CCOCC1 ZINC000515578922 562015948 /nfs/dbraw/zinc/01/59/48/562015948.db2.gz XSLJHCPHPOYBEC-HNNXBMFYSA-N 1 1 364.446 2.113 20 5 FEBDMO CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000369530845 556622598 /nfs/dbraw/zinc/62/25/98/556622598.db2.gz ILVLYGHTMCLBDY-SQNIBIBYSA-N 1 1 350.415 2.288 20 5 FEBDMO CC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000369530845 556622599 /nfs/dbraw/zinc/62/25/99/556622599.db2.gz ILVLYGHTMCLBDY-SQNIBIBYSA-N 1 1 350.415 2.288 20 5 FEBDMO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000369818461 556703685 /nfs/dbraw/zinc/70/36/85/556703685.db2.gz HBCBTRYYMLDKGO-MAUKXSAKSA-N 1 1 371.441 2.450 20 5 FEBDMO COCCC[N@H+]1CCCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000370168822 556800239 /nfs/dbraw/zinc/80/02/39/556800239.db2.gz ITKJARWBNFJRQN-UHFFFAOYSA-N 1 1 367.446 2.026 20 5 FEBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000370876661 556999057 /nfs/dbraw/zinc/99/90/57/556999057.db2.gz NVDLUIDICRSUQR-LBPRGKRZSA-N 1 1 359.386 2.493 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000370992074 557038787 /nfs/dbraw/zinc/03/87/87/557038787.db2.gz MOYFJYFGDYXCQZ-KBPBESRZSA-N 1 1 363.414 2.290 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000371023687 557049578 /nfs/dbraw/zinc/04/95/78/557049578.db2.gz VSYHHEIIIQLTPF-AWEZNQCLSA-N 1 1 360.418 2.111 20 5 FEBDMO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000371052991 557059990 /nfs/dbraw/zinc/05/99/90/557059990.db2.gz JUFBBVGYMNENFI-JJRVBVJISA-N 1 1 369.425 2.255 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000371052991 557059991 /nfs/dbraw/zinc/05/99/91/557059991.db2.gz JUFBBVGYMNENFI-JJRVBVJISA-N 1 1 369.425 2.255 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000371052991 557059992 /nfs/dbraw/zinc/05/99/92/557059992.db2.gz JUFBBVGYMNENFI-JJRVBVJISA-N 1 1 369.425 2.255 20 5 FEBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372107388 557381238 /nfs/dbraw/zinc/38/12/38/557381238.db2.gz IXTSWLUWUVQDBV-IKGGRYGDSA-N 1 1 369.425 2.242 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000518889076 562120396 /nfs/dbraw/zinc/12/03/96/562120396.db2.gz XQRRQDUOYUVLQZ-GFCCVEGCSA-N 1 1 358.398 2.309 20 5 FEBDMO Cc1csc2nc(C[N@@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)cc(=O)n12 ZINC000372275704 557427823 /nfs/dbraw/zinc/42/78/23/557427823.db2.gz XQQRGCNCEWWIKS-CYBMUJFWSA-N 1 1 374.426 2.006 20 5 FEBDMO Cc1csc2nc(C[N@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)cc(=O)n12 ZINC000372275704 557427824 /nfs/dbraw/zinc/42/78/24/557427824.db2.gz XQQRGCNCEWWIKS-CYBMUJFWSA-N 1 1 374.426 2.006 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000372330125 557441866 /nfs/dbraw/zinc/44/18/66/557441866.db2.gz JSNUYUSIXRZDPV-CQSZACIVSA-N 1 1 361.358 2.415 20 5 FEBDMO Cc1cccc(NC[C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000372346172 557445980 /nfs/dbraw/zinc/44/59/80/557445980.db2.gz MIFHWLOIXMQATD-OAHLLOKOSA-N 1 1 357.414 2.036 20 5 FEBDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000372346168 557446173 /nfs/dbraw/zinc/44/61/73/557446173.db2.gz MIFHWLOIXMQATD-HNNXBMFYSA-N 1 1 357.414 2.036 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](n4cncn4)C3)o2)c1 ZINC000372476531 557480864 /nfs/dbraw/zinc/48/08/64/557480864.db2.gz YUSHSZMXMBUGOE-OAHLLOKOSA-N 1 1 354.370 2.331 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000373381594 557683327 /nfs/dbraw/zinc/68/33/27/557683327.db2.gz DAVKOLKESVYZFT-CYBMUJFWSA-N 1 1 353.444 2.232 20 5 FEBDMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581452 557722336 /nfs/dbraw/zinc/72/23/36/557722336.db2.gz FDJKYXMLILNBLV-HNNXBMFYSA-N 1 1 373.413 2.466 20 5 FEBDMO O=C1[C@H]([NH+]2CCC(c3c[nH]cn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374206934 557843307 /nfs/dbraw/zinc/84/33/07/557843307.db2.gz GSUFFIMZIPWSCD-QGZVFWFLSA-N 1 1 355.398 2.303 20 5 FEBDMO C[N@H+]1CCCC12CCN(CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)CC2 ZINC000374609034 557906186 /nfs/dbraw/zinc/90/61/86/557906186.db2.gz DTJMARVINYNPQT-UHFFFAOYSA-N 1 1 358.442 2.044 20 5 FEBDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000374641897 557911097 /nfs/dbraw/zinc/91/10/97/557911097.db2.gz BHCZYNLHJINPJJ-ACJLOTCBSA-N 1 1 372.381 2.420 20 5 FEBDMO Cc1[nH]nc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000521144324 562170340 /nfs/dbraw/zinc/17/03/40/562170340.db2.gz DXWIWLDLOVOCJF-LBPRGKRZSA-N 1 1 359.386 2.272 20 5 FEBDMO O=C(Nc1cnccn1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000374863141 557942500 /nfs/dbraw/zinc/94/25/00/557942500.db2.gz NGXYLDWEWZABRZ-UHFFFAOYSA-N 1 1 359.361 2.375 20 5 FEBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)CC2 ZINC000374902264 557948426 /nfs/dbraw/zinc/94/84/26/557948426.db2.gz XTEWRACXUMAHER-UHFFFAOYSA-N 1 1 369.425 2.481 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000521337256 562174575 /nfs/dbraw/zinc/17/45/75/562174575.db2.gz PEZSKTVLINIXAN-VXGBXAGGSA-N 1 1 353.394 2.352 20 5 FEBDMO COC(=O)c1ccccc1CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389379 558019689 /nfs/dbraw/zinc/01/96/89/558019689.db2.gz GKGKHUZZZQLMRK-HNNXBMFYSA-N 1 1 358.398 2.458 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000375403404 558021427 /nfs/dbraw/zinc/02/14/27/558021427.db2.gz MLZPBEBVGBGOJO-MRXNPFEDSA-N 1 1 369.425 2.408 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)c3c(F)cccc3F)C2)c1 ZINC000375406155 558021789 /nfs/dbraw/zinc/02/17/89/558021789.db2.gz UGHRZDPCKBLAJT-IAQYHMDHSA-N 1 1 352.341 2.440 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H](O)c3c(F)cccc3F)C2)c1 ZINC000375406155 558021790 /nfs/dbraw/zinc/02/17/90/558021790.db2.gz UGHRZDPCKBLAJT-IAQYHMDHSA-N 1 1 352.341 2.440 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521375433 562175236 /nfs/dbraw/zinc/17/52/36/562175236.db2.gz PRXSXJKALDSEMG-OAHLLOKOSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000521375433 562175237 /nfs/dbraw/zinc/17/52/37/562175237.db2.gz PRXSXJKALDSEMG-OAHLLOKOSA-N 1 1 353.444 2.014 20 5 FEBDMO COc1cc(C(=O)NCc2c[nH+]c3n2CCCC3)c([N+](=O)[O-])cc1OC ZINC000375600823 558055113 /nfs/dbraw/zinc/05/51/13/558055113.db2.gz RVFSMVJTQYTULM-UHFFFAOYSA-N 1 1 360.370 2.075 20 5 FEBDMO CC(C)n1nc2c(cc1=O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000375864047 558091017 /nfs/dbraw/zinc/09/10/17/558091017.db2.gz ZFEYUVCZMDUHAU-UHFFFAOYSA-N 1 1 358.398 2.170 20 5 FEBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000376117945 558129122 /nfs/dbraw/zinc/12/91/22/558129122.db2.gz TVENNZWBWIJWNN-CYBMUJFWSA-N 1 1 359.386 2.320 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000522416649 562198276 /nfs/dbraw/zinc/19/82/76/562198276.db2.gz MCQAGSRQTVFPGT-OCCSQVGLSA-N 1 1 355.460 2.302 20 5 FEBDMO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378073178 558475193 /nfs/dbraw/zinc/47/51/93/558475193.db2.gz FRYMABGIXKFSIT-LJQANCHMSA-N 1 1 374.485 2.154 20 5 FEBDMO CN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378073178 558475195 /nfs/dbraw/zinc/47/51/95/558475195.db2.gz FRYMABGIXKFSIT-LJQANCHMSA-N 1 1 374.485 2.154 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000378318640 558528701 /nfs/dbraw/zinc/52/87/01/558528701.db2.gz XPQMALVRPIYQMM-HKUYNNGSSA-N 1 1 357.410 2.345 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1SC ZINC000524774629 562234474 /nfs/dbraw/zinc/23/44/74/562234474.db2.gz RUPHTYWACNBAOU-LLVKDONJSA-N 1 1 353.444 2.397 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000525291465 562245159 /nfs/dbraw/zinc/24/51/59/562245159.db2.gz HXOPUIKUYZGTNP-OAHLLOKOSA-N 1 1 360.458 2.269 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000411250011 558860648 /nfs/dbraw/zinc/86/06/48/558860648.db2.gz XXUKOGXGXGZINI-IHETXDGRSA-N 1 1 361.442 2.314 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279091 558866994 /nfs/dbraw/zinc/86/69/94/558866994.db2.gz PFLVKCZAYSOJFJ-JSGCOSHPSA-N 1 1 361.320 2.311 20 5 FEBDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000411578103 558921419 /nfs/dbraw/zinc/92/14/19/558921419.db2.gz BCSLFVDMEXJGHT-CQSZACIVSA-N 1 1 362.430 2.093 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411581554 558922129 /nfs/dbraw/zinc/92/21/29/558922129.db2.gz IUTHXIULQHLWDZ-AWEZNQCLSA-N 1 1 362.430 2.093 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411581554 558922130 /nfs/dbraw/zinc/92/21/30/558922130.db2.gz IUTHXIULQHLWDZ-AWEZNQCLSA-N 1 1 362.430 2.093 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000411666196 558939236 /nfs/dbraw/zinc/93/92/36/558939236.db2.gz MEKRABIHBRJDNR-QGZVFWFLSA-N 1 1 370.409 2.472 20 5 FEBDMO O=C(CC[N@H+](CCO)[C@H]1CCCSC1)Nc1ccccc1[N+](=O)[O-] ZINC000411672742 558940835 /nfs/dbraw/zinc/94/08/35/558940835.db2.gz VWJKPPZLFXLMST-ZDUSSCGKSA-N 1 1 353.444 2.113 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000411730081 558951909 /nfs/dbraw/zinc/95/19/09/558951909.db2.gz HFDVGUNIJZWXNF-UHFFFAOYSA-N 1 1 358.398 2.467 20 5 FEBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411776843 558960703 /nfs/dbraw/zinc/96/07/03/558960703.db2.gz YFAITWJXSRKYFA-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC(=O)N1 ZINC000412089627 559012253 /nfs/dbraw/zinc/01/22/53/559012253.db2.gz TUZHSCJQYQNBKC-LLVKDONJSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCC(=O)N1 ZINC000412089627 559012254 /nfs/dbraw/zinc/01/22/54/559012254.db2.gz TUZHSCJQYQNBKC-LLVKDONJSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)Oc1cc(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000412134618 559016476 /nfs/dbraw/zinc/01/64/76/559016476.db2.gz ZEOMHABNLYMNHR-CQSZACIVSA-N 1 1 365.430 2.080 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412158604 559017565 /nfs/dbraw/zinc/01/75/65/559017565.db2.gz IBDYPVAFBTWPIX-QWHCGFSZSA-N 1 1 365.405 2.370 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000412314587 559027191 /nfs/dbraw/zinc/02/71/91/559027191.db2.gz XBAHINBSVWBNLG-IHETXDGRSA-N 1 1 361.442 2.266 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000412314587 559027193 /nfs/dbraw/zinc/02/71/93/559027193.db2.gz XBAHINBSVWBNLG-IHETXDGRSA-N 1 1 361.442 2.266 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c1F ZINC000413861760 559135640 /nfs/dbraw/zinc/13/56/40/559135640.db2.gz OJXBTAFWCURSBX-HNNXBMFYSA-N 1 1 373.384 2.458 20 5 FEBDMO C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000413961349 559143409 /nfs/dbraw/zinc/14/34/09/559143409.db2.gz WKCNGFULSBUSBP-HNNXBMFYSA-N 1 1 371.441 2.259 20 5 FEBDMO C[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000413961349 559143410 /nfs/dbraw/zinc/14/34/10/559143410.db2.gz WKCNGFULSBUSBP-HNNXBMFYSA-N 1 1 371.441 2.259 20 5 FEBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC12CCOCC2 ZINC000414199039 559152790 /nfs/dbraw/zinc/15/27/90/559152790.db2.gz YSKAOPJZVPXHPV-SJLPKXTDSA-N 1 1 364.442 2.472 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416304451 559304633 /nfs/dbraw/zinc/30/46/33/559304633.db2.gz HYADZUZKEUKKFP-ZMSDIMECSA-N 1 1 363.458 2.077 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416304451 559304634 /nfs/dbraw/zinc/30/46/34/559304634.db2.gz HYADZUZKEUKKFP-ZMSDIMECSA-N 1 1 363.458 2.077 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416410216 559310880 /nfs/dbraw/zinc/31/08/80/559310880.db2.gz DZNSHZZKNNOUSO-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO COc1ccc(NC(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000420326170 559480742 /nfs/dbraw/zinc/48/07/42/559480742.db2.gz XFMYKSAFCIEGEY-PBWFPOADSA-N 1 1 362.430 2.147 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421014312 559519555 /nfs/dbraw/zinc/51/95/55/559519555.db2.gz KIYGAKGESZPIJV-AWEZNQCLSA-N 1 1 365.430 2.417 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421019885 559520034 /nfs/dbraw/zinc/52/00/34/559520034.db2.gz QGYWGTRLKVTADA-AWEZNQCLSA-N 1 1 365.430 2.417 20 5 FEBDMO CCCN1C[C@@H](C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421353268 559539955 /nfs/dbraw/zinc/53/99/55/559539955.db2.gz PBXCXISSJLIGON-KDOFPFPSSA-N 1 1 371.441 2.266 20 5 FEBDMO O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421836876 559554763 /nfs/dbraw/zinc/55/47/63/559554763.db2.gz PKWVBLACDQQIHK-UHFFFAOYSA-N 1 1 363.801 2.290 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000424988190 559682369 /nfs/dbraw/zinc/68/23/69/559682369.db2.gz FALQXHPCUPUYGI-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO NC(=O)c1cccc([N+](=O)[O-])c1N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425278394 559694530 /nfs/dbraw/zinc/69/45/30/559694530.db2.gz STTQNGRPLBORAD-MAUKXSAKSA-N 1 1 366.421 2.404 20 5 FEBDMO Cc1ccn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(=O)c1[N+](=O)[O-] ZINC000430146973 559814227 /nfs/dbraw/zinc/81/42/27/559814227.db2.gz KIIXCNPFVGHGPE-QGZVFWFLSA-N 1 1 357.410 2.356 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CCCO1 ZINC000432543494 559860645 /nfs/dbraw/zinc/86/06/45/559860645.db2.gz UIILJGUFQRYCCP-ZDUSSCGKSA-N 1 1 360.414 2.307 20 5 FEBDMO COC[C@H]([NH2+][C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCCO1 ZINC000432638773 559862196 /nfs/dbraw/zinc/86/21/96/559862196.db2.gz OZOVISYKMMNSIR-UGFHNGPFSA-N 1 1 362.386 2.489 20 5 FEBDMO COc1cc(CN2CCC(C[NH3+])CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000435387483 559922027 /nfs/dbraw/zinc/92/20/27/559922027.db2.gz AJATUBCLLPEIKM-UHFFFAOYSA-N 1 1 359.373 2.418 20 5 FEBDMO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000439470932 559994767 /nfs/dbraw/zinc/99/47/67/559994767.db2.gz PWEFNJVGXGKVBA-SUMWQHHRSA-N 1 1 350.419 2.235 20 5 FEBDMO COC(=O)c1cc(NC[C@@H](C(C)C)[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000440724588 560017229 /nfs/dbraw/zinc/01/72/29/560017229.db2.gz XZETVOBFMAWZDP-INIZCTEOSA-N 1 1 365.430 2.459 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]2O1 ZINC000440951816 560020004 /nfs/dbraw/zinc/02/00/04/560020004.db2.gz SQPROZVFYYFRAT-USXIJHARSA-N 1 1 350.415 2.366 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000443382525 560082622 /nfs/dbraw/zinc/08/26/22/560082622.db2.gz IOUVUFHGPCEHFO-ZFWWWQNUSA-N 1 1 362.430 2.173 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000443382514 560082662 /nfs/dbraw/zinc/08/26/62/560082662.db2.gz IOUVUFHGPCEHFO-DZGCQCFKSA-N 1 1 362.430 2.173 20 5 FEBDMO COCC[N@@H+]1CC[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000447816475 560169967 /nfs/dbraw/zinc/16/99/67/560169967.db2.gz JFGBITMDOOOLCX-JTQLQIEISA-N 1 1 357.794 2.167 20 5 FEBDMO COCC[N@H+]1CC[C@H](Nc2c(Cl)cc([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000447816475 560169968 /nfs/dbraw/zinc/16/99/68/560169968.db2.gz JFGBITMDOOOLCX-JTQLQIEISA-N 1 1 357.794 2.167 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449567128 560233678 /nfs/dbraw/zinc/23/36/78/560233678.db2.gz ULNOPDXYJWRICD-OAHLLOKOSA-N 1 1 365.430 2.063 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449931146 560245592 /nfs/dbraw/zinc/24/55/92/560245592.db2.gz NWWPSJHCIVUFDP-DZGCQCFKSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1nc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450492078 560264029 /nfs/dbraw/zinc/26/40/29/560264029.db2.gz ZBQGWMKAFMYWNH-HNNXBMFYSA-N 1 1 359.455 2.723 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451900729 560335666 /nfs/dbraw/zinc/33/56/66/560335666.db2.gz LYXYDIONWJMENK-GOSISDBHSA-N 1 1 361.398 2.395 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000454142027 560432033 /nfs/dbraw/zinc/43/20/33/560432033.db2.gz HRBCQGQPTZIZCK-UHFFFAOYSA-N 1 1 363.462 2.441 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000455245268 560475353 /nfs/dbraw/zinc/47/53/53/560475353.db2.gz LFLQEUBCJRIKJA-AWEZNQCLSA-N 1 1 350.419 2.180 20 5 FEBDMO CNc1nc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455672507 560491297 /nfs/dbraw/zinc/49/12/97/560491297.db2.gz NFIASLZTGIJIMS-OAHLLOKOSA-N 1 1 369.425 2.426 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455693763 560491876 /nfs/dbraw/zinc/49/18/76/560491876.db2.gz AXIOCNDQJAVVOI-AWEZNQCLSA-N 1 1 369.425 2.378 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000455693763 560491877 /nfs/dbraw/zinc/49/18/77/560491877.db2.gz AXIOCNDQJAVVOI-AWEZNQCLSA-N 1 1 369.425 2.378 20 5 FEBDMO CNc1nc(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)ccc1[N+](=O)[O-] ZINC000456018057 560504585 /nfs/dbraw/zinc/50/45/85/560504585.db2.gz FDVHOQAKHORVQQ-UHFFFAOYSA-N 1 1 371.397 2.419 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456253751 560513466 /nfs/dbraw/zinc/51/34/66/560513466.db2.gz VRBGBCIWGSUDKF-TXEJJXNPSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456253751 560513467 /nfs/dbraw/zinc/51/34/67/560513467.db2.gz VRBGBCIWGSUDKF-TXEJJXNPSA-N 1 1 355.822 2.084 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000456335248 560515926 /nfs/dbraw/zinc/51/59/26/560515926.db2.gz AHWSQFOHWFXHJQ-OAHLLOKOSA-N 1 1 357.414 2.337 20 5 FEBDMO C[C@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456344645 560516240 /nfs/dbraw/zinc/51/62/40/560516240.db2.gz RSPPUDGJVVLYSX-CQSZACIVSA-N 1 1 370.409 2.290 20 5 FEBDMO CCc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456346303 560516461 /nfs/dbraw/zinc/51/64/61/560516461.db2.gz SVCTUPRNJZQNKX-CQSZACIVSA-N 1 1 371.441 2.474 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456346303 560516462 /nfs/dbraw/zinc/51/64/62/560516462.db2.gz SVCTUPRNJZQNKX-CQSZACIVSA-N 1 1 371.441 2.474 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000456346303 560516463 /nfs/dbraw/zinc/51/64/63/560516463.db2.gz SVCTUPRNJZQNKX-CQSZACIVSA-N 1 1 371.441 2.474 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000458171895 560606723 /nfs/dbraw/zinc/60/67/23/560606723.db2.gz BCYNGVONUJDIEA-AWEZNQCLSA-N 1 1 372.425 2.370 20 5 FEBDMO CC[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514622 560628731 /nfs/dbraw/zinc/62/87/31/560628731.db2.gz RDSLLUHZOHEBQD-IAGOWNOFSA-N 1 1 364.446 2.192 20 5 FEBDMO CC[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514712 560628877 /nfs/dbraw/zinc/62/88/77/560628877.db2.gz RLIWCSKMIAYFGW-WBVHZDCISA-N 1 1 364.446 2.192 20 5 FEBDMO CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000459704882 560703358 /nfs/dbraw/zinc/70/33/58/560703358.db2.gz MKXREACAUPMGBT-HNAYVOBHSA-N 1 1 357.410 2.148 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000459769370 560707076 /nfs/dbraw/zinc/70/70/76/560707076.db2.gz BTWQDZDGXBRTNK-PKOBYXMFSA-N 1 1 373.453 2.357 20 5 FEBDMO CC(C)[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000461269398 560765654 /nfs/dbraw/zinc/76/56/54/560765654.db2.gz WZABZWTYXNJMGU-IIDMSEBBSA-N 1 1 363.458 2.387 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467127702 560904131 /nfs/dbraw/zinc/90/41/31/560904131.db2.gz HZEHGVMPXSHDCJ-CHWSQXEVSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCO1 ZINC000467149198 560904984 /nfs/dbraw/zinc/90/49/84/560904984.db2.gz RYBTZRVBVIJBBR-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO CC(C)[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000470148277 560975324 /nfs/dbraw/zinc/97/53/24/560975324.db2.gz JQLRJMBCFVDARD-HNNXBMFYSA-N 1 1 354.382 2.212 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000473285929 561046536 /nfs/dbraw/zinc/04/65/36/561046536.db2.gz ZOJAJAIQHOPHIC-OAHLLOKOSA-N 1 1 374.441 2.032 20 5 FEBDMO O=[N+]([O-])c1c(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc2sccn21 ZINC000531911071 562460942 /nfs/dbraw/zinc/46/09/42/562460942.db2.gz QQQPBBNMTNNWAB-NWDGAFQWSA-N 1 1 351.432 2.359 20 5 FEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532430641 562477813 /nfs/dbraw/zinc/47/78/13/562477813.db2.gz CWNUCMFAQSQEDC-IAGOWNOFSA-N 1 1 362.430 2.037 20 5 FEBDMO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000532574673 562482024 /nfs/dbraw/zinc/48/20/24/562482024.db2.gz IDSAWFIQHPOIFY-CYBMUJFWSA-N 1 1 352.822 2.355 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000568903666 568250873 /nfs/dbraw/zinc/25/08/73/568250873.db2.gz PONVRFNRBCIPDG-OAHLLOKOSA-N 1 1 365.430 2.080 20 5 FEBDMO O=C(c1cc(C(F)(F)F)ccc1[N+](=O)[O-])N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000569138865 568288234 /nfs/dbraw/zinc/28/82/34/568288234.db2.gz VULLWHXVOONWIC-UHFFFAOYSA-N 1 1 369.303 2.299 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000809860344 674517761 /nfs/dbraw/zinc/51/77/61/674517761.db2.gz LUMHHECXGWFQRJ-GFCCVEGCSA-N 1 1 361.439 2.441 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810180554 674535687 /nfs/dbraw/zinc/53/56/87/674535687.db2.gz BCHIXGXOTHAGSC-QGZVFWFLSA-N 1 1 353.394 2.432 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000826052238 607936655 /nfs/dbraw/zinc/93/66/55/607936655.db2.gz QUYMYKYAVFNFJL-OAHLLOKOSA-N 1 1 351.370 2.374 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000826052238 607936656 /nfs/dbraw/zinc/93/66/56/607936656.db2.gz QUYMYKYAVFNFJL-OAHLLOKOSA-N 1 1 351.370 2.374 20 5 FEBDMO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CCCCC1 ZINC000564845607 675067396 /nfs/dbraw/zinc/06/73/96/675067396.db2.gz UYMNZRJCGVSVNR-HNNXBMFYSA-N 1 1 369.487 2.080 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000047144456 670235098 /nfs/dbraw/zinc/23/50/98/670235098.db2.gz BHSQVGUGDDOJBT-NSHDSACASA-N 1 1 350.375 2.416 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000816950191 675089832 /nfs/dbraw/zinc/08/98/32/675089832.db2.gz MZKFCBOCARPTIF-UFBFGSQYSA-N 1 1 372.194 2.273 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000572182547 670970733 /nfs/dbraw/zinc/97/07/33/670970733.db2.gz DUGGYLBGFUUXKT-CQSZACIVSA-N 1 1 359.473 2.071 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000574115367 671203963 /nfs/dbraw/zinc/20/39/63/671203963.db2.gz XYEMNRNKKNQXIZ-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000574115367 671203965 /nfs/dbraw/zinc/20/39/65/671203965.db2.gz XYEMNRNKKNQXIZ-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO CC(C)[N@@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271634 671356598 /nfs/dbraw/zinc/35/65/98/671356598.db2.gz FYMOCWPLPXBXLZ-CVEARBPZSA-N 1 1 351.447 2.045 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000576271634 671356602 /nfs/dbraw/zinc/35/66/02/671356602.db2.gz FYMOCWPLPXBXLZ-CVEARBPZSA-N 1 1 351.447 2.045 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000609222303 675914777 /nfs/dbraw/zinc/91/47/77/675914777.db2.gz ABWVSPATZDKWKQ-UHFFFAOYSA-N 1 1 365.411 2.265 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1 ZINC000609623988 675929575 /nfs/dbraw/zinc/92/95/75/675929575.db2.gz KSQIHHZFLKIOCE-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)c1 ZINC000609623988 675929578 /nfs/dbraw/zinc/92/95/78/675929578.db2.gz KSQIHHZFLKIOCE-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCN(C)CC2)c1 ZINC000609623988 675929579 /nfs/dbraw/zinc/92/95/79/675929579.db2.gz KSQIHHZFLKIOCE-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848337 675939005 /nfs/dbraw/zinc/93/90/05/675939005.db2.gz BOWRMHJMBPWCSI-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO CS[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1N(C)C ZINC000580209940 671790539 /nfs/dbraw/zinc/79/05/39/671790539.db2.gz SEAKJKSHVPUGET-CVEARBPZSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+](C)C ZINC000580209940 671790541 /nfs/dbraw/zinc/79/05/41/671790541.db2.gz SEAKJKSHVPUGET-CVEARBPZSA-N 1 1 366.487 2.209 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000123935084 671987712 /nfs/dbraw/zinc/98/77/12/671987712.db2.gz CFHBQOPNPNGMPB-JTQLQIEISA-N 1 1 361.851 2.318 20 5 FEBDMO O=[N+]([O-])c1cnn(CN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000129716138 672065961 /nfs/dbraw/zinc/06/59/61/672065961.db2.gz XQLIAXCNEIBFQU-UHFFFAOYSA-N 1 1 365.821 2.099 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)n2)c1 ZINC000131179320 672085449 /nfs/dbraw/zinc/08/54/49/672085449.db2.gz GNQXXCMBUBDFGX-GJZGRUSLSA-N 1 1 361.427 2.017 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2ncn(C[N@H+]3CCS[C@H]4COCC[C@@H]43)n2)c1 ZINC000131179320 672085453 /nfs/dbraw/zinc/08/54/53/672085453.db2.gz GNQXXCMBUBDFGX-GJZGRUSLSA-N 1 1 361.427 2.017 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C1 ZINC000175087594 672365358 /nfs/dbraw/zinc/36/53/58/672365358.db2.gz UOEBDBOXJZTASD-GFCCVEGCSA-N 1 1 355.822 2.335 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000611087978 676016511 /nfs/dbraw/zinc/01/65/11/676016511.db2.gz WLEYGUSVFAHFLT-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000611087978 676016513 /nfs/dbraw/zinc/01/65/13/676016513.db2.gz WLEYGUSVFAHFLT-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCOC1 ZINC000178776667 672395129 /nfs/dbraw/zinc/39/51/29/672395129.db2.gz WFHSPWJEJUKJBS-JTQLQIEISA-N 1 1 372.219 2.264 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000611205177 676024817 /nfs/dbraw/zinc/02/48/17/676024817.db2.gz LECINOVIYUEPMP-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO COc1cc(CN2CC[C@H]3C[N@@H+](C)C[C@@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590012806 672554639 /nfs/dbraw/zinc/55/46/39/672554639.db2.gz YURUNEINACZSCT-GWCFXTLKSA-N 1 1 357.357 2.341 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000590165379 672562935 /nfs/dbraw/zinc/56/29/35/672562935.db2.gz MWLMOHOMARCUPC-KRWDZBQOSA-N 1 1 367.471 2.318 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000590447668 672583412 /nfs/dbraw/zinc/58/34/12/672583412.db2.gz ZCRQIEAYFWQJBQ-ZANVPECISA-N 1 1 354.204 2.133 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000194345783 672756998 /nfs/dbraw/zinc/75/69/98/672756998.db2.gz QHQVBARMSKTBLP-NEPJUHHUSA-N 1 1 359.423 2.133 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593067240 672871144 /nfs/dbraw/zinc/87/11/44/672871144.db2.gz IIVZUNUKDUAKBP-CYBMUJFWSA-N 1 1 351.403 2.433 20 5 FEBDMO CC[N@@H+](CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000593626621 672962183 /nfs/dbraw/zinc/96/21/83/672962183.db2.gz BUZAWOWBIBGMCS-UHFFFAOYSA-N 1 1 370.475 2.313 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594019905 673021667 /nfs/dbraw/zinc/02/16/67/673021667.db2.gz CERDBGQSZAIOII-UHFFFAOYSA-N 1 1 369.487 2.175 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594027709 673022237 /nfs/dbraw/zinc/02/22/37/673022237.db2.gz YPWOIYUAUNUGIT-MAUKXSAKSA-N 1 1 350.415 2.368 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594484360 673088729 /nfs/dbraw/zinc/08/87/29/673088729.db2.gz QJUOVQVGWIICJW-KBPBESRZSA-N 1 1 357.407 2.029 20 5 FEBDMO COc1cc(C[NH2+]C/C=C/CO)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000594974493 673181553 /nfs/dbraw/zinc/18/15/53/673181553.db2.gz KJVOGCARTWQSOH-NSCUHMNNSA-N 1 1 350.293 2.183 20 5 FEBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595294903 673218086 /nfs/dbraw/zinc/21/80/86/673218086.db2.gz UHYSGJZAAUYCJR-OCCSQVGLSA-N 1 1 353.394 2.097 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595410397 673245734 /nfs/dbraw/zinc/24/57/34/673245734.db2.gz LMOJGDRMCCOGLD-OAHLLOKOSA-N 1 1 367.471 2.136 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000462504610 673255922 /nfs/dbraw/zinc/25/59/22/673255922.db2.gz UMFBLQQHAVAZOF-MWLCHTKSSA-N 1 1 361.851 2.318 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462584263 673266109 /nfs/dbraw/zinc/26/61/09/673266109.db2.gz ZUMFFSFDCJRWGX-HNNXBMFYSA-N 1 1 367.471 2.446 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c(F)c1N1CCOCC1 ZINC000596091090 673357903 /nfs/dbraw/zinc/35/79/03/673357903.db2.gz HLIKLHBGNDOXHA-LBPRGKRZSA-N 1 1 350.394 2.219 20 5 FEBDMO COc1cc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596103254 673358985 /nfs/dbraw/zinc/35/89/85/673358985.db2.gz BIXUITAPYYRWFG-NSHDSACASA-N 1 1 370.837 2.256 20 5 FEBDMO CN1CCC(CNc2c(Cl)cncc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000596138532 673362637 /nfs/dbraw/zinc/36/26/37/673362637.db2.gz LJRUJGXHNGBSRF-UHFFFAOYSA-N 1 1 367.881 2.427 20 5 FEBDMO COC(=O)c1c(Cl)c(NC[C@@H]2CCCC[N@H+]2CCO)ccc1[N+](=O)[O-] ZINC000596250508 673371729 /nfs/dbraw/zinc/37/17/29/673371729.db2.gz RTVIKOSRCOFSLC-NSHDSACASA-N 1 1 371.821 2.294 20 5 FEBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596359690 673379603 /nfs/dbraw/zinc/37/96/03/673379603.db2.gz BZWMCSXGEBRPHE-NSHDSACASA-N 1 1 352.464 2.283 20 5 FEBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596359690 673379604 /nfs/dbraw/zinc/37/96/04/673379604.db2.gz BZWMCSXGEBRPHE-NSHDSACASA-N 1 1 352.464 2.283 20 5 FEBDMO O=[N+]([O-])c1cncc(Cl)c1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000596422117 673384093 /nfs/dbraw/zinc/38/40/93/673384093.db2.gz AHRHGUWQHOLNBP-CQSZACIVSA-N 1 1 362.817 2.244 20 5 FEBDMO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000597192858 673455926 /nfs/dbraw/zinc/45/59/26/673455926.db2.gz OUEOFYYSHZVVOM-UONOGXRCSA-N 1 1 363.395 2.138 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)C1 ZINC000734484955 673464653 /nfs/dbraw/zinc/46/46/53/673464653.db2.gz OCMPKZDVQXBKPT-CQSZACIVSA-N 1 1 361.471 2.421 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)c([N+](=O)[O-])cc1F ZINC000597574715 673488855 /nfs/dbraw/zinc/48/88/55/673488855.db2.gz GZYUZOPFDYDKQP-QWHCGFSZSA-N 1 1 355.341 2.001 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+]2CCOCC2)C1 ZINC000597681457 673498764 /nfs/dbraw/zinc/49/87/64/673498764.db2.gz CFQXBZTXZPTCDY-UHFFFAOYSA-N 1 1 365.455 2.111 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000597926037 673518533 /nfs/dbraw/zinc/51/85/33/673518533.db2.gz ZUJJFJCJSABFHX-LBPRGKRZSA-N 1 1 367.471 2.282 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000541760200 673556036 /nfs/dbraw/zinc/55/60/36/673556036.db2.gz CDOIDWVUSPIORJ-UHFFFAOYSA-N 1 1 356.350 2.437 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855285 673610638 /nfs/dbraw/zinc/61/06/38/673610638.db2.gz COWWBDOGJUDUAM-BXKDBHETSA-N 1 1 355.341 2.409 20 5 FEBDMO NS(=O)(=O)c1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000599127997 673635282 /nfs/dbraw/zinc/63/52/82/673635282.db2.gz UAQIEGQDYRQUKC-AWEZNQCLSA-N 1 1 368.459 2.061 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@@H]1C ZINC000740894708 673660076 /nfs/dbraw/zinc/66/00/76/673660076.db2.gz VSHLHQCEXPCIAZ-NWDGAFQWSA-N 1 1 359.423 2.227 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599390510 673668299 /nfs/dbraw/zinc/66/82/99/673668299.db2.gz JAPXEHCRNKRTBY-INIZCTEOSA-N 1 1 367.471 2.421 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1C ZINC000599414246 673672321 /nfs/dbraw/zinc/67/23/21/673672321.db2.gz BTWXUTCMQQNZLD-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000599989555 673732297 /nfs/dbraw/zinc/73/22/97/673732297.db2.gz QHKJZHSSPRRTOY-SKDRFNHKSA-N 1 1 354.204 2.133 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000600212850 673749573 /nfs/dbraw/zinc/74/95/73/673749573.db2.gz IJKMZFWDZWXOEQ-MBSJSRAVSA-N 1 1 367.471 2.259 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000601372459 673850415 /nfs/dbraw/zinc/85/04/15/673850415.db2.gz YTWQAANKXQWOMY-NWDGAFQWSA-N 1 1 359.473 2.070 20 5 FEBDMO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602482077 673906697 /nfs/dbraw/zinc/90/66/97/673906697.db2.gz FHWLOCQSGDEYQT-SSDOTTSWSA-N 1 1 350.238 2.233 20 5 FEBDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602482077 673906699 /nfs/dbraw/zinc/90/66/99/673906699.db2.gz FHWLOCQSGDEYQT-SSDOTTSWSA-N 1 1 350.238 2.233 20 5 FEBDMO CCNC(=O)C(C)(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602691668 673909690 /nfs/dbraw/zinc/90/96/90/673909690.db2.gz ZFPNUFSWHMZYBY-UHFFFAOYSA-N 1 1 350.238 2.423 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000602888742 673912558 /nfs/dbraw/zinc/91/25/58/673912558.db2.gz BYOYJZMIVSDICF-MRXNPFEDSA-N 1 1 351.472 2.235 20 5 FEBDMO CC1(C)[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1 ZINC000603121120 673917825 /nfs/dbraw/zinc/91/78/25/673917825.db2.gz YCPLHZQESFWOGJ-GJZGRUSLSA-N 1 1 367.833 2.477 20 5 FEBDMO CCOC(=O)c1sc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)nc1C ZINC000819137933 675263811 /nfs/dbraw/zinc/26/38/11/675263811.db2.gz FDFJTBAHFHWJBF-ZDUSSCGKSA-N 1 1 365.411 2.360 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCCC[N@H+](C)C(C)C ZINC000822486743 675487870 /nfs/dbraw/zinc/48/78/70/675487870.db2.gz CHMABGIQAXNGDS-UHFFFAOYSA-N 1 1 354.382 2.152 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)cc1SC ZINC000827318247 675747610 /nfs/dbraw/zinc/74/76/10/675747610.db2.gz FSRJJYVXJOZLIU-WCQYABFASA-N 1 1 365.455 2.492 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000830452062 677040514 /nfs/dbraw/zinc/04/05/14/677040514.db2.gz XGFVQBVHSZPHEB-DOMZBBRYSA-N 1 1 353.419 2.473 20 5 FEBDMO O=C(CC[N@@H+]1CCCC[C@H]1C1(O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839145167 680741494 /nfs/dbraw/zinc/74/14/94/680741494.db2.gz ZKVNKNZQUSHDGZ-HNNXBMFYSA-N 1 1 351.378 2.442 20 5 FEBDMO O=[N+]([O-])c1cccc(CN2CC[NH+]([C@H]3CCOC3)CC2)c1Br ZINC000839531133 680759729 /nfs/dbraw/zinc/75/97/29/680759729.db2.gz YMXOEBJJUKLURV-ZDUSSCGKSA-N 1 1 370.247 2.264 20 5 FEBDMO O=C1N[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@@H]2CO1 ZINC000839592337 680764323 /nfs/dbraw/zinc/76/43/23/680764323.db2.gz RGZNGBYIAGEKCT-MNOVXSKESA-N 1 1 370.203 2.288 20 5 FEBDMO O=C1N[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3Br)C[C@@H]2CO1 ZINC000839592337 680764325 /nfs/dbraw/zinc/76/43/25/680764325.db2.gz RGZNGBYIAGEKCT-MNOVXSKESA-N 1 1 370.203 2.288 20 5 FEBDMO COC[C@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839616955 680766960 /nfs/dbraw/zinc/76/69/60/680766960.db2.gz FKIVRFFUAHRXIO-CQSZACIVSA-N 1 1 359.220 2.188 20 5 FEBDMO COC[C@]1(CO)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839616955 680766963 /nfs/dbraw/zinc/76/69/63/680766963.db2.gz FKIVRFFUAHRXIO-CQSZACIVSA-N 1 1 359.220 2.188 20 5 FEBDMO CC(C)(C(=O)OCCC[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000762988893 680768200 /nfs/dbraw/zinc/76/82/00/680768200.db2.gz KLZBCFLMWDJGEM-UHFFFAOYSA-N 1 1 354.378 2.277 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000840951051 680856376 /nfs/dbraw/zinc/85/63/76/680856376.db2.gz RWLAOCHSLOMNDG-JTQLQIEISA-N 1 1 372.834 2.368 20 5 FEBDMO O=[N+]([O-])c1ccc(CNC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1Cl ZINC000841069636 680861705 /nfs/dbraw/zinc/86/17/05/680861705.db2.gz BSOTWZYWKRTICJ-CYBMUJFWSA-N 1 1 366.771 2.174 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000748272587 679947769 /nfs/dbraw/zinc/94/77/69/679947769.db2.gz OSQATNHQHOAFLR-AWEZNQCLSA-N 1 1 350.375 2.194 20 5 FEBDMO Cc1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)sn1 ZINC001034817156 680440186 /nfs/dbraw/zinc/44/01/86/680440186.db2.gz ZKAQLZTUVQUPDC-HZPDHXFCSA-N 1 1 360.439 2.023 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000836782887 680513318 /nfs/dbraw/zinc/51/33/18/680513318.db2.gz LIRZAVZFZAOUAT-ZDUSSCGKSA-N 1 1 368.865 2.312 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)CCC(F)(F)F ZINC000757611689 680528165 /nfs/dbraw/zinc/52/81/65/680528165.db2.gz HRIWZAJFIMPLAV-UHFFFAOYSA-N 1 1 362.352 2.490 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000838150935 680676246 /nfs/dbraw/zinc/67/62/46/680676246.db2.gz YZTYVLHKTKQJIC-JTQLQIEISA-N 1 1 371.235 2.214 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000766556975 680881438 /nfs/dbraw/zinc/88/14/38/680881438.db2.gz QXTUOOYIOTXHIL-WDEREUQCSA-N 1 1 350.375 2.366 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000766556975 680881440 /nfs/dbraw/zinc/88/14/40/680881440.db2.gz QXTUOOYIOTXHIL-WDEREUQCSA-N 1 1 350.375 2.366 20 5 FEBDMO C[N@H+](CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000767117935 680899877 /nfs/dbraw/zinc/89/98/77/680899877.db2.gz USAYZHBMVNEVQI-CQSZACIVSA-N 1 1 354.428 2.344 20 5 FEBDMO C[N@@H+](CC(=O)OCCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000767117935 680899878 /nfs/dbraw/zinc/89/98/78/680899878.db2.gz USAYZHBMVNEVQI-CQSZACIVSA-N 1 1 354.428 2.344 20 5 FEBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841613992 680903606 /nfs/dbraw/zinc/90/36/06/680903606.db2.gz DDVGUAWMGFTUMC-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841613992 680903607 /nfs/dbraw/zinc/90/36/07/680903607.db2.gz DDVGUAWMGFTUMC-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO Cc1c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000769141886 680972452 /nfs/dbraw/zinc/97/24/52/680972452.db2.gz PLOBYFJHVVYTMT-VHSXEESVSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000769141886 680972453 /nfs/dbraw/zinc/97/24/53/680972453.db2.gz PLOBYFJHVVYTMT-VHSXEESVSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000844640211 681069852 /nfs/dbraw/zinc/06/98/52/681069852.db2.gz HFQHXNSXGWAKMO-JLLWLGSASA-N 1 1 350.375 2.365 20 5 FEBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845500096 681133085 /nfs/dbraw/zinc/13/30/85/681133085.db2.gz IJOZMHKILKLXHB-CYBMUJFWSA-N 1 1 370.812 2.130 20 5 FEBDMO COC(=O)[C@@]1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774640031 681214008 /nfs/dbraw/zinc/21/40/08/681214008.db2.gz ORBKIJHBMWMIQD-HNNXBMFYSA-N 1 1 352.778 2.440 20 5 FEBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774640031 681214016 /nfs/dbraw/zinc/21/40/16/681214016.db2.gz ORBKIJHBMWMIQD-HNNXBMFYSA-N 1 1 352.778 2.440 20 5 FEBDMO C[C@]1(Cc2cccs2)CCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932928617 681330270 /nfs/dbraw/zinc/33/02/70/681330270.db2.gz PRSCDATVXWBKLG-GOEBONIOSA-N 1 1 350.444 2.311 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)n1 ZINC000933711166 681456025 /nfs/dbraw/zinc/45/60/25/681456025.db2.gz BKIGRBRYUGDMSF-SNVBAGLBSA-N 1 1 356.308 2.090 20 5 FEBDMO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000778086504 681568950 /nfs/dbraw/zinc/56/89/50/681568950.db2.gz UXZVBGOCQBHSBG-CYBMUJFWSA-N 1 1 362.283 2.007 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848583434 681583680 /nfs/dbraw/zinc/58/36/80/681583680.db2.gz ZOVMOSBUFZHUEV-LBPRGKRZSA-N 1 1 357.357 2.415 20 5 FEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC[C@H]2CC2CCOCC2)cc1 ZINC000934638324 681604377 /nfs/dbraw/zinc/60/43/77/681604377.db2.gz MMGMEEQWXBPSSC-MSOLQXFVSA-N 1 1 350.415 2.146 20 5 FEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC[C@H]2CC2CCOCC2)cc1 ZINC000934638324 681604381 /nfs/dbraw/zinc/60/43/81/681604381.db2.gz MMGMEEQWXBPSSC-MSOLQXFVSA-N 1 1 350.415 2.146 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H]2CC2CCOCC2)cc1 ZINC000934643006 681604882 /nfs/dbraw/zinc/60/48/82/681604882.db2.gz SUKOLBWQGNKMLQ-QGZVFWFLSA-N 1 1 350.415 2.491 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@H]2CC2CCOCC2)cc1 ZINC000934643006 681604886 /nfs/dbraw/zinc/60/48/86/681604886.db2.gz SUKOLBWQGNKMLQ-QGZVFWFLSA-N 1 1 350.415 2.491 20 5 FEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000913535950 685479483 /nfs/dbraw/zinc/47/94/83/685479483.db2.gz AZQWGLKKZJEOAH-BETUJISGSA-N 1 1 368.231 2.205 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000850507608 681909702 /nfs/dbraw/zinc/90/97/02/681909702.db2.gz OXUUPABESYKMJI-SNVBAGLBSA-N 1 1 368.821 2.176 20 5 FEBDMO Cc1c(C(=O)NCC[N@@H+]2CCC[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000783921463 682187093 /nfs/dbraw/zinc/18/70/93/682187093.db2.gz SFPRPHVINAKAMV-JTQLQIEISA-N 1 1 350.375 2.334 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000790448805 682678422 /nfs/dbraw/zinc/67/84/22/682678422.db2.gz CZKLPKHUHLNQBW-HNNXBMFYSA-N 1 1 373.450 2.441 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000791063895 682721494 /nfs/dbraw/zinc/72/14/94/682721494.db2.gz ZAJNTVOPLKNDDV-AWEZNQCLSA-N 1 1 350.375 2.353 20 5 FEBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791365899 682738199 /nfs/dbraw/zinc/73/81/99/682738199.db2.gz FEAPPXLYXSZCKM-MRXNPFEDSA-N 1 1 352.410 2.212 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791365899 682738200 /nfs/dbraw/zinc/73/82/00/682738200.db2.gz FEAPPXLYXSZCKM-MRXNPFEDSA-N 1 1 352.410 2.212 20 5 FEBDMO C[NH+]1CCN(C(=O)C2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000791408468 682741468 /nfs/dbraw/zinc/74/14/68/682741468.db2.gz SQXXMXTZDLEOPN-UHFFFAOYSA-N 1 1 366.849 2.239 20 5 FEBDMO Cc1sc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1[N+](=O)[O-] ZINC000926181761 683089866 /nfs/dbraw/zinc/08/98/66/683089866.db2.gz CPOLKCRINCOWQR-ZAUVIXRXSA-N 1 1 367.471 2.174 20 5 FEBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861172288 683363698 /nfs/dbraw/zinc/36/36/98/683363698.db2.gz TWVUUULLQLFWCA-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861172288 683363705 /nfs/dbraw/zinc/36/37/05/683363705.db2.gz TWVUUULLQLFWCA-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823657 683480272 /nfs/dbraw/zinc/48/02/72/683480272.db2.gz AFYPYLFMZOHZRC-JSGCOSHPSA-N 1 1 353.806 2.183 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)Nc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]2C1 ZINC000929837001 683645686 /nfs/dbraw/zinc/64/56/86/683645686.db2.gz ZGFHGPQPHRDCKE-AOOOYVTPSA-N 1 1 356.329 2.222 20 5 FEBDMO C[C@@H](C[C@H]1COCC[NH2+]1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762735 684583215 /nfs/dbraw/zinc/58/32/15/684583215.db2.gz NRPDIEALXYJFCF-GWCFXTLKSA-N 1 1 358.236 2.214 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CCC1(C)C ZINC000871156738 684791756 /nfs/dbraw/zinc/79/17/56/684791756.db2.gz LAZUKJPVUMFWCY-UHFFFAOYSA-N 1 1 371.235 2.309 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000872662514 684999798 /nfs/dbraw/zinc/99/97/98/684999798.db2.gz FMTOVSYDBOPYGO-NWDGAFQWSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000872662514 684999801 /nfs/dbraw/zinc/99/98/01/684999801.db2.gz FMTOVSYDBOPYGO-NWDGAFQWSA-N 1 1 359.835 2.105 20 5 FEBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872720128 685008373 /nfs/dbraw/zinc/00/83/73/685008373.db2.gz INKAVJWDNDCUMI-OLZOCXBDSA-N 1 1 362.411 2.054 20 5 FEBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000872720128 685008375 /nfs/dbraw/zinc/00/83/75/685008375.db2.gz INKAVJWDNDCUMI-OLZOCXBDSA-N 1 1 362.411 2.054 20 5 FEBDMO O=C1NCCC12CC[NH+](Cn1c3cc([N+](=O)[O-])ccc3oc1=S)CC2 ZINC000872788555 685015865 /nfs/dbraw/zinc/01/58/65/685015865.db2.gz NBYFXMBIGSRVHA-UHFFFAOYSA-N 1 1 362.411 2.432 20 5 FEBDMO C[C@@]([NH3+])(C(=O)N1CCO[C@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000876627475 686232016 /nfs/dbraw/zinc/23/20/16/686232016.db2.gz HXPKVMLZKAGODI-YOEHRIQHSA-N 1 1 361.423 2.430 20 5 FEBDMO Cn1cc(C[N@H+](C)C[C@H](O)c2ccccc2Br)c([N+](=O)[O-])n1 ZINC000877577370 686414527 /nfs/dbraw/zinc/41/45/27/686414527.db2.gz WLJCVWXMTKSGGZ-ZDUSSCGKSA-N 1 1 369.219 2.256 20 5 FEBDMO Cn1cc(C[N@@H+](C)C[C@H](O)c2ccccc2Br)c([N+](=O)[O-])n1 ZINC000877577370 686414529 /nfs/dbraw/zinc/41/45/29/686414529.db2.gz WLJCVWXMTKSGGZ-ZDUSSCGKSA-N 1 1 369.219 2.256 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[C@H]1[NH+]1CCOCC1 ZINC000880500145 687054666 /nfs/dbraw/zinc/05/46/66/687054666.db2.gz TYERAJTXSKGHCY-HUUCEWRRSA-N 1 1 367.833 2.477 20 5 FEBDMO C[N@@H+](CCNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000883399429 687621972 /nfs/dbraw/zinc/62/19/72/687621972.db2.gz MIVJYUXYKJQPRS-UHFFFAOYSA-N 1 1 371.235 2.251 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c1 ZINC000885861322 688171050 /nfs/dbraw/zinc/17/10/50/688171050.db2.gz RVGFULIHRQZQHR-CYBMUJFWSA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885895602 688180876 /nfs/dbraw/zinc/18/08/76/688180876.db2.gz IESGXUKQCJRQTK-CQSZACIVSA-N 1 1 365.455 2.300 20 5 FEBDMO COC[C@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886305846 688228781 /nfs/dbraw/zinc/22/87/81/688228781.db2.gz RQVWVJOBGRFPCY-KRWDZBQOSA-N 1 1 351.403 2.170 20 5 FEBDMO COC[C@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886305846 688228782 /nfs/dbraw/zinc/22/87/82/688228782.db2.gz RQVWVJOBGRFPCY-KRWDZBQOSA-N 1 1 351.403 2.170 20 5 FEBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895570740 689737533 /nfs/dbraw/zinc/73/75/33/689737533.db2.gz XDPOJOQUYOTYSG-IUCAKERBSA-N 1 1 365.381 2.339 20 5 FEBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000895570740 689737536 /nfs/dbraw/zinc/73/75/36/689737536.db2.gz XDPOJOQUYOTYSG-IUCAKERBSA-N 1 1 365.381 2.339 20 5 FEBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896526367 689885420 /nfs/dbraw/zinc/88/54/20/689885420.db2.gz WKFVSCZWDROEMS-JTQLQIEISA-N 1 1 363.340 2.012 20 5 FEBDMO CN1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC[N@@H+](C)CC1 ZINC000897094922 689974093 /nfs/dbraw/zinc/97/40/93/689974093.db2.gz OGDPLNWRLJZPIU-UHFFFAOYSA-N 1 1 350.463 2.456 20 5 FEBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164626976 719053874 /nfs/dbraw/zinc/05/38/74/719053874.db2.gz SSRHCYMPRRFRHS-AEFFLSMTSA-N 1 1 354.410 2.329 20 5 FEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC001164813104 720073645 /nfs/dbraw/zinc/07/36/45/720073645.db2.gz SMSVRQULBPSWCP-VQIMIIECSA-N 1 1 360.458 2.483 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164724901 720359302 /nfs/dbraw/zinc/35/93/02/720359302.db2.gz LNVFPSOCAITKQN-LSDHHAIUSA-N 1 1 370.369 2.146 20 5 FEBDMO Nc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164909331 721541350 /nfs/dbraw/zinc/54/13/50/721541350.db2.gz RMJSKYNZDCGVNW-UKRRQHHQSA-N 1 1 373.388 2.053 20 5 FEBDMO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926899 721871391 /nfs/dbraw/zinc/87/13/91/721871391.db2.gz SPIFUNOOEJXMIV-IAGOWNOFSA-N 1 1 355.442 2.358 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926899 721871394 /nfs/dbraw/zinc/87/13/94/721871394.db2.gz SPIFUNOOEJXMIV-IAGOWNOFSA-N 1 1 355.442 2.358 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926054 721875611 /nfs/dbraw/zinc/87/56/11/721875611.db2.gz QOUADRJXVAWUQK-ZWKOTPCHSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926054 721875612 /nfs/dbraw/zinc/87/56/12/721875612.db2.gz QOUADRJXVAWUQK-ZWKOTPCHSA-N 1 1 355.442 2.358 20 5 FEBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])c1 ZINC000521367171 821238010 /nfs/dbraw/zinc/23/80/10/821238010.db2.gz VCTIFSJFKGXPTA-UHFFFAOYSA-N 1 1 357.414 2.413 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549407909 674039761 /nfs/dbraw/zinc/03/97/61/674039761.db2.gz HEMYRJLFSGEYFM-NSHDSACASA-N 1 1 357.313 2.206 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000007587878 539461171 /nfs/dbraw/zinc/46/11/71/539461171.db2.gz JKWPOKJZJBAZCZ-UHFFFAOYSA-N 1 1 367.471 2.481 20 5 FEBDMO Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000012810110 539575927 /nfs/dbraw/zinc/57/59/27/539575927.db2.gz BODUVFTVBSPLKP-QGZVFWFLSA-N 1 1 371.437 2.465 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000023703546 539718912 /nfs/dbraw/zinc/71/89/12/539718912.db2.gz ABLWXYRNYZESOJ-UHFFFAOYSA-N 1 1 367.471 2.481 20 5 FEBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000026198129 539780369 /nfs/dbraw/zinc/78/03/69/539780369.db2.gz FABFULOAQBMFGP-OLZOCXBDSA-N 1 1 351.403 2.431 20 5 FEBDMO C[N@@H+](CCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000029526812 539856003 /nfs/dbraw/zinc/85/60/03/539856003.db2.gz KCQOGTYRPVFEDO-UHFFFAOYSA-N 1 1 370.475 2.309 20 5 FEBDMO CNC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000029931539 539868891 /nfs/dbraw/zinc/86/88/91/539868891.db2.gz MEFSJIHKYOAMMR-UHFFFAOYSA-N 1 1 370.409 2.415 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000032732348 539950237 /nfs/dbraw/zinc/95/02/37/539950237.db2.gz USFVDQUIQVHMJL-QWHCGFSZSA-N 1 1 363.414 2.374 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=S)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000800827876 674079901 /nfs/dbraw/zinc/07/99/01/674079901.db2.gz DRJRAPPALWKGEC-MRXNPFEDSA-N 1 1 350.488 2.428 20 5 FEBDMO COC(=O)c1cc(C(=O)NCCCNc2ccc(C)c[nH+]2)cc([N+](=O)[O-])c1 ZINC000530645064 540014608 /nfs/dbraw/zinc/01/46/08/540014608.db2.gz PJTFZNIORFFNIT-UHFFFAOYSA-N 1 1 372.381 2.317 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000043149456 540092145 /nfs/dbraw/zinc/09/21/45/540092145.db2.gz FUAWJRBOHRHZGA-INIZCTEOSA-N 1 1 350.419 2.382 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047105311 540289930 /nfs/dbraw/zinc/28/99/30/540289930.db2.gz RQKFTEQGICJLGN-QZTJIDSGSA-N 1 1 373.457 2.053 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000047148630 540292791 /nfs/dbraw/zinc/29/27/91/540292791.db2.gz RVGBCMCXSPFEOD-LBPRGKRZSA-N 1 1 351.403 2.074 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000052929455 540500983 /nfs/dbraw/zinc/50/09/83/540500983.db2.gz NGUVLCZJDYYYOM-OAHLLOKOSA-N 1 1 374.441 2.080 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000052929455 540500987 /nfs/dbraw/zinc/50/09/87/540500987.db2.gz NGUVLCZJDYYYOM-OAHLLOKOSA-N 1 1 374.441 2.080 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054625390 540598908 /nfs/dbraw/zinc/59/89/08/540598908.db2.gz GFAKTLIBCFNIIM-ZDUSSCGKSA-N 1 1 368.397 2.352 20 5 FEBDMO O=C(NC1CC1)C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000055915317 540687360 /nfs/dbraw/zinc/68/73/60/540687360.db2.gz MWCIXKGVURWYEU-UHFFFAOYSA-N 1 1 371.397 2.135 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000056140994 540706468 /nfs/dbraw/zinc/70/64/68/540706468.db2.gz IATAQDIPNKNFTI-AGUYFDCRSA-N 1 1 353.444 2.054 20 5 FEBDMO COc1cc(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000063756305 541183600 /nfs/dbraw/zinc/18/36/00/541183600.db2.gz CXNFDUNTVYWELB-STQMWFEESA-N 1 1 365.430 2.462 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000066333727 541303546 /nfs/dbraw/zinc/30/35/46/541303546.db2.gz HCWNTQYPUYWXAO-GFCCVEGCSA-N 1 1 373.431 2.377 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000066396052 541313398 /nfs/dbraw/zinc/31/33/98/541313398.db2.gz VDARQUOMSJOFGW-NFAHFFEMSA-N 1 1 359.426 2.320 20 5 FEBDMO COc1ccc(S(=O)(=O)NCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000068346329 541580099 /nfs/dbraw/zinc/58/00/99/541580099.db2.gz DBYAQIREPIPEAV-UHFFFAOYSA-N 1 1 371.459 2.146 20 5 FEBDMO Cc1c(NC(=O)CC[NH+]2CCN(C(=O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000068367338 541583126 /nfs/dbraw/zinc/58/31/26/541583126.db2.gz GQHHKLIQPLGQRR-UHFFFAOYSA-N 1 1 362.430 2.032 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[N@H+](C(C)C)CC1 ZINC000069084095 541654990 /nfs/dbraw/zinc/65/49/90/541654990.db2.gz UHBZIAAJJHBTBT-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO COCCOC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072796544 541865964 /nfs/dbraw/zinc/86/59/64/541865964.db2.gz ZMASOWQBIFZISJ-CABCVRRESA-N 1 1 365.430 2.215 20 5 FEBDMO COCCOC[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072796986 541866421 /nfs/dbraw/zinc/86/64/21/541866421.db2.gz XJHWDZNLAQRAKC-CYBMUJFWSA-N 1 1 362.386 2.130 20 5 FEBDMO CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000073796195 542000958 /nfs/dbraw/zinc/00/09/58/542000958.db2.gz GQBSMWHFJRJYDN-AWEZNQCLSA-N 1 1 372.429 2.413 20 5 FEBDMO Cc1c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000073997214 542024339 /nfs/dbraw/zinc/02/43/39/542024339.db2.gz FYRNGHUFYBMLGY-QWHCGFSZSA-N 1 1 362.386 2.429 20 5 FEBDMO C[C@@H]1SCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccccc1 ZINC000075749167 542202353 /nfs/dbraw/zinc/20/23/53/542202353.db2.gz AIUQNMWDVLXJOP-RRQGHBQHSA-N 1 1 362.455 2.331 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000075924258 542215514 /nfs/dbraw/zinc/21/55/14/542215514.db2.gz AXNHIQRLIYIYAY-OLZOCXBDSA-N 1 1 371.459 2.145 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000076467830 542282241 /nfs/dbraw/zinc/28/22/41/542282241.db2.gz DPGXDAAKYXNHSY-LBPRGKRZSA-N 1 1 353.806 2.043 20 5 FEBDMO CC(C)NC(=O)c1ccc(NC[C@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000077995613 542436746 /nfs/dbraw/zinc/43/67/46/542436746.db2.gz UCKCPUGGWPVHMS-AWEZNQCLSA-N 1 1 364.446 2.113 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000080053198 542560837 /nfs/dbraw/zinc/56/08/37/542560837.db2.gz ZYHBSGGQYSYAJM-UHFFFAOYSA-N 1 1 372.429 2.022 20 5 FEBDMO C[C@@](O)(CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C[NH+]1CCOCC1 ZINC000090095249 542782535 /nfs/dbraw/zinc/78/25/35/542782535.db2.gz YEAHQDUNONENLF-LJQANCHMSA-N 1 1 372.425 2.152 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000093001672 542901026 /nfs/dbraw/zinc/90/10/26/542901026.db2.gz TZEQKRVTKSVUDA-WCQYABFASA-N 1 1 359.423 2.003 20 5 FEBDMO CC(=O)c1ccc(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000101540009 543030025 /nfs/dbraw/zinc/03/00/25/543030025.db2.gz YCRSGTCPDMQEFO-INIZCTEOSA-N 1 1 362.430 2.152 20 5 FEBDMO CC(=O)N[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104674656 543137127 /nfs/dbraw/zinc/13/71/27/543137127.db2.gz GBFBGKXBSYTZQM-OAHLLOKOSA-N 1 1 358.398 2.393 20 5 FEBDMO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104733183 543140114 /nfs/dbraw/zinc/14/01/14/543140114.db2.gz HAAMIEBRXAHMCI-GFCCVEGCSA-N 1 1 359.423 2.277 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104733183 543140117 /nfs/dbraw/zinc/14/01/17/543140117.db2.gz HAAMIEBRXAHMCI-GFCCVEGCSA-N 1 1 359.423 2.277 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109755338 543336680 /nfs/dbraw/zinc/33/66/80/543336680.db2.gz DBHVAVLQPHGZDZ-SFHVURJKSA-N 1 1 362.474 2.076 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000110355922 543355912 /nfs/dbraw/zinc/35/59/12/543355912.db2.gz DIXKJZFAWNCOOF-AWEZNQCLSA-N 1 1 359.430 2.127 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123139871 543745025 /nfs/dbraw/zinc/74/50/25/543745025.db2.gz YGXXNBNPKGBKKY-ZWNOBZJWSA-N 1 1 350.375 2.366 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)CNc3ccccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000124197477 543806632 /nfs/dbraw/zinc/80/66/32/543806632.db2.gz ZXFXWHAMCVHAIA-UHFFFAOYSA-N 1 1 369.425 2.495 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000124602010 543831472 /nfs/dbraw/zinc/83/14/72/543831472.db2.gz MEFBWSJVZYAZBR-PHIMTYICSA-N 1 1 359.835 2.072 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@H+]1C ZINC000124667493 543836346 /nfs/dbraw/zinc/83/63/46/543836346.db2.gz CHYVQKBAHWVQJZ-GUYCJALGSA-N 1 1 357.414 2.335 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000126187269 543922306 /nfs/dbraw/zinc/92/23/06/543922306.db2.gz CFFAMAXQYBPFTJ-QWHCGFSZSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000126187269 543922309 /nfs/dbraw/zinc/92/23/09/543922309.db2.gz CFFAMAXQYBPFTJ-QWHCGFSZSA-N 1 1 353.444 2.115 20 5 FEBDMO CCOC(=O)c1cc(N2CCC([N@@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000126678573 543950244 /nfs/dbraw/zinc/95/02/44/543950244.db2.gz PMPQZUCPDYLTNZ-UHFFFAOYSA-N 1 1 365.430 2.055 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129076893 544089336 /nfs/dbraw/zinc/08/93/36/544089336.db2.gz RRAJWBLCTLMCBJ-TZMCWYRMSA-N 1 1 371.434 2.147 20 5 FEBDMO COC(=O)C1([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCC1 ZINC000129138933 544092648 /nfs/dbraw/zinc/09/26/48/544092648.db2.gz YNDRUNLPYIPGJC-UHFFFAOYSA-N 1 1 367.377 2.480 20 5 FEBDMO CSc1ccc(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000133979629 544290231 /nfs/dbraw/zinc/29/02/31/544290231.db2.gz UTPIFIDQDSRTMK-AWEZNQCLSA-N 1 1 367.471 2.283 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)o2)cc1 ZINC000135536748 544351240 /nfs/dbraw/zinc/35/12/40/544351240.db2.gz SPHXBZJLNWLCRQ-KBPBESRZSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)o2)cc1 ZINC000135536748 544351242 /nfs/dbraw/zinc/35/12/42/544351242.db2.gz SPHXBZJLNWLCRQ-KBPBESRZSA-N 1 1 362.411 2.351 20 5 FEBDMO CCOc1ccnc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000135765371 544360566 /nfs/dbraw/zinc/36/05/66/544360566.db2.gz FVGRDALTOJSKIJ-UHFFFAOYSA-N 1 1 357.414 2.496 20 5 FEBDMO Cc1nsc(N2CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000137068379 544384615 /nfs/dbraw/zinc/38/46/15/544384615.db2.gz FDAAYSYCBAOTSB-HNNXBMFYSA-N 1 1 363.443 2.000 20 5 FEBDMO Cc1nsc(N2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000137068379 544384618 /nfs/dbraw/zinc/38/46/18/544384618.db2.gz FDAAYSYCBAOTSB-HNNXBMFYSA-N 1 1 363.443 2.000 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000137566969 544391734 /nfs/dbraw/zinc/39/17/34/544391734.db2.gz BKICMUVXWBKUDV-GFCCVEGCSA-N 1 1 353.444 2.015 20 5 FEBDMO Cc1cc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000150202856 544461290 /nfs/dbraw/zinc/46/12/90/544461290.db2.gz QWDJQDGPTYXHPK-UHFFFAOYSA-N 1 1 368.437 2.455 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000153235287 544749723 /nfs/dbraw/zinc/74/97/23/544749723.db2.gz RDXLSWSGZAQYNL-QAPCUYQASA-N 1 1 363.458 2.283 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153652112 544803622 /nfs/dbraw/zinc/80/36/22/544803622.db2.gz JZVBKDHYYVKCOH-AWEZNQCLSA-N 1 1 363.462 2.298 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000153775970 544822207 /nfs/dbraw/zinc/82/22/07/544822207.db2.gz JFTYSUBUCHXPEC-LTDCPUDJSA-N 1 1 363.458 2.202 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000153775970 544822210 /nfs/dbraw/zinc/82/22/10/544822210.db2.gz JFTYSUBUCHXPEC-LTDCPUDJSA-N 1 1 363.458 2.202 20 5 FEBDMO C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000153798900 544824686 /nfs/dbraw/zinc/82/46/86/544824686.db2.gz AROPXGPXOHGBEV-CQSZACIVSA-N 1 1 364.446 2.144 20 5 FEBDMO C[C@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000153798806 544825205 /nfs/dbraw/zinc/82/52/05/544825205.db2.gz AROPXGPXOHGBEV-AWEZNQCLSA-N 1 1 364.446 2.144 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000153590918 544795249 /nfs/dbraw/zinc/79/52/49/544795249.db2.gz OQCVMDJGAVKLFK-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000804343819 674281634 /nfs/dbraw/zinc/28/16/34/674281634.db2.gz FPPFXYFJWLGOKT-CYBMUJFWSA-N 1 1 350.375 2.194 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000187458400 328027030 /nfs/dbraw/zinc/02/70/30/328027030.db2.gz BZYYVEQIWIKAHA-SFHVURJKSA-N 1 1 371.441 2.208 20 5 FEBDMO CC[C@@]1(CO)CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187525210 328031580 /nfs/dbraw/zinc/03/15/80/328031580.db2.gz FESCGQZJXUKAEU-GOSISDBHSA-N 1 1 365.430 2.417 20 5 FEBDMO CSc1cccc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000188018862 328060690 /nfs/dbraw/zinc/06/06/90/328060690.db2.gz PUPMHEDACOMRIJ-ZDUSSCGKSA-N 1 1 367.471 2.403 20 5 FEBDMO CSc1cccc(C(=O)N(C)CCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000188171262 328070998 /nfs/dbraw/zinc/07/09/98/328070998.db2.gz JQAMMJSACWCZAZ-UHFFFAOYSA-N 1 1 366.487 2.026 20 5 FEBDMO CSc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000188687212 328104261 /nfs/dbraw/zinc/10/42/61/328104261.db2.gz XHKUJYZPFXIKSV-LBPRGKRZSA-N 1 1 367.471 2.234 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000189969710 328179478 /nfs/dbraw/zinc/17/94/78/328179478.db2.gz CMNOCDFFNSYAKA-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000190031441 328183758 /nfs/dbraw/zinc/18/37/58/328183758.db2.gz NOSVVJCCBVGNNN-CYBMUJFWSA-N 1 1 350.419 2.212 20 5 FEBDMO C[C@H]1C[C@H](C)CN(c2ccc(C(=O)NCC(F)(F)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000190325134 328200637 /nfs/dbraw/zinc/20/06/37/328200637.db2.gz ATOBRWHDSTUOPR-RYUDHWBXSA-N 1 1 370.400 2.401 20 5 FEBDMO NC(=O)c1ccc(C[NH+]2CCC(Oc3ccc(F)nc3)CC2)c([N+](=O)[O-])c1 ZINC000190536054 328214701 /nfs/dbraw/zinc/21/47/01/328214701.db2.gz PQNGXCYINMMPBI-UHFFFAOYSA-N 1 1 374.372 2.271 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](CC3CCCC3)CC2)c1 ZINC000078437029 325045630 /nfs/dbraw/zinc/04/56/30/325045630.db2.gz VLGOOLZNWKZNFJ-UHFFFAOYSA-N 1 1 353.444 2.091 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000109310030 325664715 /nfs/dbraw/zinc/66/47/15/325664715.db2.gz QTVAHQHPMOKQTE-MRXNPFEDSA-N 1 1 369.381 2.406 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000116248258 326002103 /nfs/dbraw/zinc/00/21/03/326002103.db2.gz QMGYDZRUBOTKSB-DYVFJYSZSA-N 1 1 369.425 2.212 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116732579 326031567 /nfs/dbraw/zinc/03/15/67/326031567.db2.gz OCAPQYNSOCWJTH-LBPRGKRZSA-N 1 1 355.822 2.475 20 5 FEBDMO CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000118859900 326109274 /nfs/dbraw/zinc/10/92/74/326109274.db2.gz MIEDGACNLRQITE-HNNXBMFYSA-N 1 1 372.429 2.246 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119468834 326166339 /nfs/dbraw/zinc/16/63/39/326166339.db2.gz LJDIRKYIRBSVET-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000119629467 326182561 /nfs/dbraw/zinc/18/25/61/326182561.db2.gz ZIKQNZHHJZOYIB-UHFFFAOYSA-N 1 1 357.414 2.065 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000119629467 326182563 /nfs/dbraw/zinc/18/25/63/326182563.db2.gz ZIKQNZHHJZOYIB-UHFFFAOYSA-N 1 1 357.414 2.065 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000120073986 326227567 /nfs/dbraw/zinc/22/75/67/326227567.db2.gz WIHHHAQWLMASHY-WMLDXEAASA-N 1 1 371.441 2.127 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000120724946 326282443 /nfs/dbraw/zinc/28/24/43/326282443.db2.gz ZYZUKISSEVZGQE-QWRGUYRKSA-N 1 1 368.821 2.128 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000120838031 326291913 /nfs/dbraw/zinc/29/19/13/326291913.db2.gz WWVFVLGJCJAIDP-CHWSQXEVSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000120838031 326291917 /nfs/dbraw/zinc/29/19/17/326291917.db2.gz WWVFVLGJCJAIDP-CHWSQXEVSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000121324294 326329634 /nfs/dbraw/zinc/32/96/34/326329634.db2.gz TUMZWZWXJCHNSO-UHFFFAOYSA-N 1 1 362.430 2.093 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000122352466 326393561 /nfs/dbraw/zinc/39/35/61/326393561.db2.gz JHTBPTUYQPPIEZ-RISCZKNCSA-N 1 1 373.862 2.353 20 5 FEBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152737371 326715311 /nfs/dbraw/zinc/71/53/11/326715311.db2.gz COXHOTXOFRGPHM-UHFFFAOYSA-N 1 1 363.439 2.493 20 5 FEBDMO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153674197 326739474 /nfs/dbraw/zinc/73/94/74/326739474.db2.gz DLZYZZWKQQRBMN-HUUCEWRRSA-N 1 1 350.463 2.280 20 5 FEBDMO COc1ccc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000160317859 326961483 /nfs/dbraw/zinc/96/14/83/326961483.db2.gz PATNYKUCRDPZEJ-UHFFFAOYSA-N 1 1 365.430 2.034 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000161610081 327004244 /nfs/dbraw/zinc/00/42/44/327004244.db2.gz KXHFURQZUSXFJE-AWEZNQCLSA-N 1 1 373.413 2.150 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1[N+](=O)[O-] ZINC000171680558 327154575 /nfs/dbraw/zinc/15/45/75/327154575.db2.gz BZNUPFCCCMNXNI-CQSZACIVSA-N 1 1 363.462 2.464 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000172016833 327176259 /nfs/dbraw/zinc/17/62/59/327176259.db2.gz JRHBXPMAIAKCPJ-UHFFFAOYSA-N 1 1 353.444 2.152 20 5 FEBDMO O=C([C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCOCC1 ZINC000172174581 327185534 /nfs/dbraw/zinc/18/55/34/327185534.db2.gz OZCUURQCCHRFOT-CYBMUJFWSA-N 1 1 367.833 2.319 20 5 FEBDMO O=C([C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1)N1CCOCC1 ZINC000172174581 327185536 /nfs/dbraw/zinc/18/55/36/327185536.db2.gz OZCUURQCCHRFOT-CYBMUJFWSA-N 1 1 367.833 2.319 20 5 FEBDMO COC(=O)c1oc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000172358228 327197697 /nfs/dbraw/zinc/19/76/97/327197697.db2.gz RNHYIBWRVBZPQT-LBPRGKRZSA-N 1 1 360.370 2.364 20 5 FEBDMO COC(=O)c1oc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000172358228 327197698 /nfs/dbraw/zinc/19/76/98/327197698.db2.gz RNHYIBWRVBZPQT-LBPRGKRZSA-N 1 1 360.370 2.364 20 5 FEBDMO Nc1c(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000172421611 327200886 /nfs/dbraw/zinc/20/08/86/327200886.db2.gz RURUBBVBENXQPW-UHFFFAOYSA-N 1 1 350.394 2.407 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173278240 327246117 /nfs/dbraw/zinc/24/61/17/327246117.db2.gz CCVPOKAXVGFORK-MNOVXSKESA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000173279749 327246170 /nfs/dbraw/zinc/24/61/70/327246170.db2.gz CBAHLYXTDDYCPJ-CVEARBPZSA-N 1 1 374.441 2.315 20 5 FEBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173277685 327246181 /nfs/dbraw/zinc/24/61/81/327246181.db2.gz PZYIRHAYDQFOOP-CMPLNLGQSA-N 1 1 361.851 2.351 20 5 FEBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173278225 327246234 /nfs/dbraw/zinc/24/62/34/327246234.db2.gz CCVPOKAXVGFORK-WDEREUQCSA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173666553 327275111 /nfs/dbraw/zinc/27/51/11/327275111.db2.gz UGEWDTJAHWJUJW-AWEZNQCLSA-N 1 1 355.460 2.398 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C[C@@H](C)O ZINC000174591693 327336909 /nfs/dbraw/zinc/33/69/09/327336909.db2.gz HAKUHPYIFJHRKE-VXGBXAGGSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C[C@@H](C)O ZINC000174591693 327336910 /nfs/dbraw/zinc/33/69/10/327336910.db2.gz HAKUHPYIFJHRKE-VXGBXAGGSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175170963 327378178 /nfs/dbraw/zinc/37/81/78/327378178.db2.gz SDWHPMUURSUMMK-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000175290717 327384768 /nfs/dbraw/zinc/38/47/68/327384768.db2.gz GHTQYUPWASJAMH-QGZVFWFLSA-N 1 1 371.441 2.162 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000175395655 327390437 /nfs/dbraw/zinc/39/04/37/327390437.db2.gz AGKRJIKYTSTEDC-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO CCN(C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000264504563 329030505 /nfs/dbraw/zinc/03/05/05/329030505.db2.gz OQVMBLUYRZNGFA-ZDUSSCGKSA-N 1 1 355.460 2.402 20 5 FEBDMO CCCc1n[nH]c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000264616427 329041330 /nfs/dbraw/zinc/04/13/30/329041330.db2.gz RHOUWGMETDFGNL-UHFFFAOYSA-N 1 1 371.441 2.449 20 5 FEBDMO COc1cc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc([N+](=O)[O-])c1OC ZINC000265938739 329174828 /nfs/dbraw/zinc/17/48/28/329174828.db2.gz IFQDFOIKVXVHRG-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986805 329179372 /nfs/dbraw/zinc/17/93/72/329179372.db2.gz KVRHHJQCCWMCBM-DGCLKSJQSA-N 1 1 351.403 2.024 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000266741082 329254883 /nfs/dbraw/zinc/25/48/83/329254883.db2.gz QCUBJBKVHMGKPS-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCCO1 ZINC000266741082 329254884 /nfs/dbraw/zinc/25/48/84/329254884.db2.gz QCUBJBKVHMGKPS-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000266927326 329273394 /nfs/dbraw/zinc/27/33/94/329273394.db2.gz OQYNAEMYBVMFHY-LBPRGKRZSA-N 1 1 364.402 2.004 20 5 FEBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[NH+](C2CCOCC2)CC1 ZINC000266973182 329278418 /nfs/dbraw/zinc/27/84/18/329278418.db2.gz UDZKONGRYXNZCI-UHFFFAOYSA-N 1 1 359.382 2.278 20 5 FEBDMO CC(C)c1[nH]nc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000269457866 329522086 /nfs/dbraw/zinc/52/20/86/329522086.db2.gz HDWJSLDMRIUBAL-UHFFFAOYSA-N 1 1 374.401 2.194 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000272893523 329821577 /nfs/dbraw/zinc/82/15/77/329821577.db2.gz YHRZWGMZWPZEJQ-GFCCVEGCSA-N 1 1 373.500 2.372 20 5 FEBDMO CCc1ccc([C@H](COC)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000273221909 329846568 /nfs/dbraw/zinc/84/65/68/329846568.db2.gz AYJSOHSLSOGJRT-PBHICJAKSA-N 1 1 364.398 2.467 20 5 FEBDMO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CC(C)(C)O ZINC000275471320 330052604 /nfs/dbraw/zinc/05/26/04/330052604.db2.gz IKXXKBXTXSWCQN-NSHDSACASA-N 1 1 354.382 2.043 20 5 FEBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000275503760 330056654 /nfs/dbraw/zinc/05/66/54/330056654.db2.gz YDTCJASGMUVVFN-LBPRGKRZSA-N 1 1 361.398 2.258 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000275503760 330056656 /nfs/dbraw/zinc/05/66/56/330056656.db2.gz YDTCJASGMUVVFN-LBPRGKRZSA-N 1 1 361.398 2.258 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000276050242 330114673 /nfs/dbraw/zinc/11/46/73/330114673.db2.gz ACBWJCUBIOJZSE-INIZCTEOSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000276050242 330114675 /nfs/dbraw/zinc/11/46/75/330114675.db2.gz ACBWJCUBIOJZSE-INIZCTEOSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276050242 330114676 /nfs/dbraw/zinc/11/46/76/330114676.db2.gz ACBWJCUBIOJZSE-INIZCTEOSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCCN(CC(=O)N2CCCC2)CC1 ZINC000276050242 330114677 /nfs/dbraw/zinc/11/46/77/330114677.db2.gz ACBWJCUBIOJZSE-INIZCTEOSA-N 1 1 360.458 2.286 20 5 FEBDMO C[C@@H](CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000279074217 330172932 /nfs/dbraw/zinc/17/29/32/330172932.db2.gz DGQNYTSUNKKFHJ-NSHDSACASA-N 1 1 373.812 2.014 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821021 330208006 /nfs/dbraw/zinc/20/80/06/330208006.db2.gz SLDRKOSWJANOFC-CRAIPNDOSA-N 1 1 371.441 2.160 20 5 FEBDMO CC(C)(C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)[NH+]1CCCC1 ZINC000805614819 674347692 /nfs/dbraw/zinc/34/76/92/674347692.db2.gz UCZUQOPCRWLYFI-UHFFFAOYSA-N 1 1 350.371 2.379 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000155312294 545510182 /nfs/dbraw/zinc/51/01/82/545510182.db2.gz ODQUMWXRJMLTDZ-DOMZBBRYSA-N 1 1 351.378 2.055 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478010534 561158040 /nfs/dbraw/zinc/15/80/40/561158040.db2.gz PJWSGTKLSBTFIH-CABCVRRESA-N 1 1 350.419 2.235 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000478010534 561158041 /nfs/dbraw/zinc/15/80/41/561158041.db2.gz PJWSGTKLSBTFIH-CABCVRRESA-N 1 1 350.419 2.235 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000172014938 546233174 /nfs/dbraw/zinc/23/31/74/546233174.db2.gz SXVVPTWTWGOCEF-QGZVFWFLSA-N 1 1 363.439 2.484 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000176085083 546404020 /nfs/dbraw/zinc/40/40/20/546404020.db2.gz IUPILJBKQJCNIL-LBPRGKRZSA-N 1 1 350.375 2.225 20 5 FEBDMO C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000480461476 561209796 /nfs/dbraw/zinc/20/97/96/561209796.db2.gz PYXTVNQDVLSXLD-GFCCVEGCSA-N 1 1 357.414 2.454 20 5 FEBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000177126277 546550298 /nfs/dbraw/zinc/55/02/98/546550298.db2.gz KBWYOHFZAPJVFN-JKSUJKDBSA-N 1 1 361.398 2.488 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177958488 546712746 /nfs/dbraw/zinc/71/27/46/546712746.db2.gz WVFZPTOCOZOZFZ-LLVKDONJSA-N 1 1 359.835 2.025 20 5 FEBDMO Cc1ccnc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000481196530 561227603 /nfs/dbraw/zinc/22/76/03/561227603.db2.gz ZOSVZHYXVUDTKV-UHFFFAOYSA-N 1 1 367.413 2.282 20 5 FEBDMO Cc1ccnc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)n1 ZINC000481196530 561227604 /nfs/dbraw/zinc/22/76/04/561227604.db2.gz ZOSVZHYXVUDTKV-UHFFFAOYSA-N 1 1 367.413 2.282 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000481449528 561233099 /nfs/dbraw/zinc/23/30/99/561233099.db2.gz XBTOQEBSTDWLKP-MRXNPFEDSA-N 1 1 351.403 2.289 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000481977388 561246592 /nfs/dbraw/zinc/24/65/92/561246592.db2.gz NMDUINNDRMGWLN-CQSZACIVSA-N 1 1 355.460 2.364 20 5 FEBDMO CC[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[N@H+]1C[C@@H](C)O ZINC000179643750 546990701 /nfs/dbraw/zinc/99/07/01/546990701.db2.gz YGWGDBSBYQSYPS-ZBFHGGJFSA-N 1 1 363.458 2.437 20 5 FEBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000180496286 547119277 /nfs/dbraw/zinc/11/92/77/547119277.db2.gz PVMWCYHRYXPNKQ-AWEZNQCLSA-N 1 1 359.386 2.122 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180570780 547132939 /nfs/dbraw/zinc/13/29/39/547132939.db2.gz WLQJTBWPASTHBK-CQSZACIVSA-N 1 1 369.425 2.309 20 5 FEBDMO CCC(CC)[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000180922460 547210154 /nfs/dbraw/zinc/21/01/54/547210154.db2.gz WFWDLAMNQGTIFX-MRXNPFEDSA-N 1 1 364.446 2.044 20 5 FEBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000181349645 547298281 /nfs/dbraw/zinc/29/82/81/547298281.db2.gz ZBNNRJIMPBSJKM-WFASDCNBSA-N 1 1 373.409 2.412 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181483217 547322495 /nfs/dbraw/zinc/32/24/95/547322495.db2.gz IOWWPAVPKHHNLP-XEZPLFJOSA-N 1 1 365.430 2.413 20 5 FEBDMO Cc1ccc(C[N@H+](CCO)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000181974741 547415003 /nfs/dbraw/zinc/41/50/03/547415003.db2.gz JEOSTAGCJYDFEM-UHFFFAOYSA-N 1 1 369.421 2.287 20 5 FEBDMO Cc1ccc(C[N@@H+](CCO)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000181974741 547415007 /nfs/dbraw/zinc/41/50/07/547415007.db2.gz JEOSTAGCJYDFEM-UHFFFAOYSA-N 1 1 369.421 2.287 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000184759403 547876074 /nfs/dbraw/zinc/87/60/74/547876074.db2.gz OBYWVITUQOWQSG-SJLPKXTDSA-N 1 1 363.458 2.391 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248745 561315756 /nfs/dbraw/zinc/31/57/56/561315756.db2.gz HQUGYORKNNLVMW-GDBMZVCRSA-N 1 1 374.441 2.309 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@H]21 ZINC000485248745 561315757 /nfs/dbraw/zinc/31/57/57/561315757.db2.gz HQUGYORKNNLVMW-GDBMZVCRSA-N 1 1 374.441 2.309 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185364184 547975058 /nfs/dbraw/zinc/97/50/58/547975058.db2.gz FVIWWWJFMJOSLU-CYBMUJFWSA-N 1 1 353.419 2.271 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186668254 548170341 /nfs/dbraw/zinc/17/03/41/548170341.db2.gz LNEKNUUMLQBARY-JXFKEZNVSA-N 1 1 370.405 2.466 20 5 FEBDMO COC(=O)c1cc(NC(=O)NCC[N@@H+](C)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000486878242 561358742 /nfs/dbraw/zinc/35/87/42/561358742.db2.gz HMJJXWLMDCTVTF-UHFFFAOYSA-N 1 1 352.391 2.152 20 5 FEBDMO COC(=O)c1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876076 561358757 /nfs/dbraw/zinc/35/87/57/561358757.db2.gz BLKBPLFXSIHDLR-GXFFZTMASA-N 1 1 364.402 2.294 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1F ZINC000245546817 548943383 /nfs/dbraw/zinc/94/33/83/548943383.db2.gz WTCJZBAIHSMYPP-GXTWGEPZSA-N 1 1 371.434 2.147 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245542970 548943428 /nfs/dbraw/zinc/94/34/28/548943428.db2.gz KMXPSOVTJNELBM-CXAGYDPISA-N 1 1 365.430 2.415 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000245657380 548967144 /nfs/dbraw/zinc/96/71/44/548967144.db2.gz DXPYOIMAQNUIGH-XJKSGUPXSA-N 1 1 369.425 2.212 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246127133 549058359 /nfs/dbraw/zinc/05/83/59/549058359.db2.gz JJHDEDZOXVDWHV-ZBFHGGJFSA-N 1 1 367.471 2.405 20 5 FEBDMO CCOc1cc(N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000246181669 549070659 /nfs/dbraw/zinc/07/06/59/549070659.db2.gz WHLGSHCATFPSHT-CYBMUJFWSA-N 1 1 351.403 2.067 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000246250539 549088444 /nfs/dbraw/zinc/08/84/44/549088444.db2.gz JFTYSUBUCHXPEC-QGWWYQLQSA-N 1 1 363.458 2.202 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000246250539 549088448 /nfs/dbraw/zinc/08/84/48/549088448.db2.gz JFTYSUBUCHXPEC-QGWWYQLQSA-N 1 1 363.458 2.202 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000246250539 549088452 /nfs/dbraw/zinc/08/84/52/549088452.db2.gz JFTYSUBUCHXPEC-QGWWYQLQSA-N 1 1 363.458 2.202 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246392252 549122861 /nfs/dbraw/zinc/12/28/61/549122861.db2.gz PKONERWFIYQWLE-AAEUAGOBSA-N 1 1 371.484 2.294 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C)C1 ZINC000246394839 549122873 /nfs/dbraw/zinc/12/28/73/549122873.db2.gz DWMDVDRXJIJNSH-ZFWWWQNUSA-N 1 1 364.446 2.044 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000246460114 549138239 /nfs/dbraw/zinc/13/82/39/549138239.db2.gz JDXYOXVWOWMLEP-YWPYICTPSA-N 1 1 351.403 2.023 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000246464075 549139705 /nfs/dbraw/zinc/13/97/05/549139705.db2.gz NJORPOSYNYVOLY-XJKSGUPXSA-N 1 1 369.425 2.212 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000246782793 549211387 /nfs/dbraw/zinc/21/13/87/549211387.db2.gz BFWXHMQXSJPWCF-ZYHUDNBSSA-N 1 1 373.862 2.414 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000247016815 549265500 /nfs/dbraw/zinc/26/55/00/549265500.db2.gz QFVROIGVUOQNTJ-HZPDHXFCSA-N 1 1 363.462 2.294 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000247076151 549278784 /nfs/dbraw/zinc/27/87/84/549278784.db2.gz YVARICPIZZZAMI-GJZGRUSLSA-N 1 1 361.398 2.080 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000247261759 549308477 /nfs/dbraw/zinc/30/84/77/549308477.db2.gz QMGYDZRUBOTKSB-SUMWQHHRSA-N 1 1 369.425 2.212 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000248358844 549421796 /nfs/dbraw/zinc/42/17/96/549421796.db2.gz RGTNADHUIYQESY-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCO[C@H]1C ZINC000489437019 561410983 /nfs/dbraw/zinc/41/09/83/561410983.db2.gz FQMZBPXPFPHKTN-LRDDRELGSA-N 1 1 352.387 2.087 20 5 FEBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCO[C@H]1C ZINC000489437019 561410984 /nfs/dbraw/zinc/41/09/84/561410984.db2.gz FQMZBPXPFPHKTN-LRDDRELGSA-N 1 1 352.387 2.087 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000248891755 549523520 /nfs/dbraw/zinc/52/35/20/549523520.db2.gz FWZRDEIXBOMNPG-MFKMUULPSA-N 1 1 360.357 2.450 20 5 FEBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249117584 549554329 /nfs/dbraw/zinc/55/43/29/549554329.db2.gz SPUGMEAAEIUZLW-KGLIPLIRSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000249117584 549554332 /nfs/dbraw/zinc/55/43/32/549554332.db2.gz SPUGMEAAEIUZLW-KGLIPLIRSA-N 1 1 363.458 2.419 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000249137580 549559268 /nfs/dbraw/zinc/55/92/68/549559268.db2.gz YYJUGOISSFARBA-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261732007 549748768 /nfs/dbraw/zinc/74/87/68/549748768.db2.gz LXPWBROQYVDJRL-INIZCTEOSA-N 1 1 360.801 2.359 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261924408 549770011 /nfs/dbraw/zinc/77/00/11/549770011.db2.gz IXEWSQPIKCTYMC-OAHLLOKOSA-N 1 1 363.805 2.008 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C[NH2+]1 ZINC000262126375 549790830 /nfs/dbraw/zinc/79/08/30/549790830.db2.gz CMIYOSJIBQPFGW-ZDUSSCGKSA-N 1 1 361.423 2.423 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000270388963 550268024 /nfs/dbraw/zinc/26/80/24/550268024.db2.gz ROZGNJGPNJHBRC-UHFFFAOYSA-N 1 1 361.398 2.260 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000272298045 550435934 /nfs/dbraw/zinc/43/59/34/550435934.db2.gz IGKVPHSMDTUHOV-KBPBESRZSA-N 1 1 355.460 2.225 20 5 FEBDMO C[C@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1=CC[N@@H+](C)CC1 ZINC000272651722 550463249 /nfs/dbraw/zinc/46/32/49/550463249.db2.gz ARNZJHNONOBCGL-ZDUSSCGKSA-N 1 1 355.398 2.161 20 5 FEBDMO C[C@@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1=CC[N@@H+](C)CC1 ZINC000272969752 550479066 /nfs/dbraw/zinc/47/90/66/550479066.db2.gz OHPHFWUTIWMPEK-OAHLLOKOSA-N 1 1 373.457 2.077 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273343501 550494953 /nfs/dbraw/zinc/49/49/53/550494953.db2.gz AZGXNJJLJZFAGQ-CYBMUJFWSA-N 1 1 367.425 2.129 20 5 FEBDMO Cc1cnc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000274138929 550524797 /nfs/dbraw/zinc/52/47/97/550524797.db2.gz XARFVXQOMVZIMK-UHFFFAOYSA-N 1 1 356.386 2.480 20 5 FEBDMO Cc1cnc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000274138929 550524798 /nfs/dbraw/zinc/52/47/98/550524798.db2.gz XARFVXQOMVZIMK-UHFFFAOYSA-N 1 1 356.386 2.480 20 5 FEBDMO Nc1c(F)c(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000274638813 550547298 /nfs/dbraw/zinc/54/72/98/550547298.db2.gz DVYUKUAFTJGKJE-CQSZACIVSA-N 1 1 360.389 2.147 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000277074435 550628916 /nfs/dbraw/zinc/62/89/16/550628916.db2.gz SWAIDEJKGXFPEI-ZBFHGGJFSA-N 1 1 358.442 2.408 20 5 FEBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000277853908 550721686 /nfs/dbraw/zinc/72/16/86/550721686.db2.gz CQJKVGBALLSRMH-INIZCTEOSA-N 1 1 357.414 2.494 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCc1c[nH+]c(N(C)C)n1C ZINC000278018055 550739486 /nfs/dbraw/zinc/73/94/86/550739486.db2.gz PSTHKPFBOKUOGX-UHFFFAOYSA-N 1 1 351.794 2.286 20 5 FEBDMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000278417989 550783556 /nfs/dbraw/zinc/78/35/56/550783556.db2.gz YVQKIEMYBMQYLQ-DOMZBBRYSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000278417989 550783557 /nfs/dbraw/zinc/78/35/57/550783557.db2.gz YVQKIEMYBMQYLQ-DOMZBBRYSA-N 1 1 358.822 2.094 20 5 FEBDMO Cc1cc(=O)n(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1[N+](=O)[O-] ZINC000278544871 550797894 /nfs/dbraw/zinc/79/78/94/550797894.db2.gz KMTHGBKUOZNQAH-QGZVFWFLSA-N 1 1 357.410 2.356 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000278956347 550840104 /nfs/dbraw/zinc/84/01/04/550840104.db2.gz ZNSGTFLHUGDRND-LLVKDONJSA-N 1 1 369.368 2.198 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278968557 550841582 /nfs/dbraw/zinc/84/15/82/550841582.db2.gz XOXUFAUYCDHNLL-CZUORRHYSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278968557 550841583 /nfs/dbraw/zinc/84/15/83/550841583.db2.gz XOXUFAUYCDHNLL-CZUORRHYSA-N 1 1 353.444 2.156 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1(CCO)CCOCC1 ZINC000495460935 561488475 /nfs/dbraw/zinc/48/84/75/561488475.db2.gz OBCKZQUJRBCMFQ-UHFFFAOYSA-N 1 1 365.430 2.095 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000279867127 550937439 /nfs/dbraw/zinc/93/74/39/550937439.db2.gz BYWRBUJHHKRXAM-ZNMIVQPWSA-N 1 1 364.446 2.406 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000279867127 550937440 /nfs/dbraw/zinc/93/74/40/550937440.db2.gz BYWRBUJHHKRXAM-ZNMIVQPWSA-N 1 1 364.446 2.406 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280355263 550984206 /nfs/dbraw/zinc/98/42/06/550984206.db2.gz JJPZAFVWYWDYEC-SCLBCKFNSA-N 1 1 363.414 2.112 20 5 FEBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000280604837 551012562 /nfs/dbraw/zinc/01/25/62/551012562.db2.gz VKAHKCXBVXROAV-GOSISDBHSA-N 1 1 363.414 2.193 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000281242988 551077258 /nfs/dbraw/zinc/07/72/58/551077258.db2.gz UPKBMPHOGFMGLM-INIZCTEOSA-N 1 1 373.356 2.163 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000497410464 561500339 /nfs/dbraw/zinc/50/03/39/561500339.db2.gz HGRZOOAQUXZFJR-KGLIPLIRSA-N 1 1 357.414 2.269 20 5 FEBDMO COc1ccccc1CNC(=O)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282439813 551229117 /nfs/dbraw/zinc/22/91/17/551229117.db2.gz KVSTZJPYUVWMAP-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO COc1ccccc1CNC(=O)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282439813 551229119 /nfs/dbraw/zinc/22/91/19/551229119.db2.gz KVSTZJPYUVWMAP-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO Cc1ccc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000282894792 551282869 /nfs/dbraw/zinc/28/28/69/551282869.db2.gz ZQZYVSRXCTZTHO-UHFFFAOYSA-N 1 1 367.471 2.293 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284650633 551598700 /nfs/dbraw/zinc/59/87/00/551598700.db2.gz WTMHZEXPPBLHKE-KBPBESRZSA-N 1 1 356.220 2.267 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1SC ZINC000498711009 561532526 /nfs/dbraw/zinc/53/25/26/561532526.db2.gz RXZQUWWDBYEPSB-NSHDSACASA-N 1 1 353.444 2.492 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285238757 551724696 /nfs/dbraw/zinc/72/46/96/551724696.db2.gz BMYVSBCQXLNFCU-ZFWWWQNUSA-N 1 1 355.460 2.320 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000285238757 551724698 /nfs/dbraw/zinc/72/46/98/551724698.db2.gz BMYVSBCQXLNFCU-ZFWWWQNUSA-N 1 1 355.460 2.320 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000285507773 551766909 /nfs/dbraw/zinc/76/69/09/551766909.db2.gz FTLHZGQBWQEEMU-PBWFPOADSA-N 1 1 353.444 2.149 20 5 FEBDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285714593 551799770 /nfs/dbraw/zinc/79/97/70/551799770.db2.gz UCMOAUGJPZQIJM-HZPDHXFCSA-N 1 1 351.403 2.229 20 5 FEBDMO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCC[NH+]1CCCC1 ZINC000499908965 561561290 /nfs/dbraw/zinc/56/12/90/561561290.db2.gz UGVZLKQOMOPMSN-UHFFFAOYSA-N 1 1 362.430 2.311 20 5 FEBDMO COc1ccc(C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)(C)C)cc1 ZINC000288979743 552247604 /nfs/dbraw/zinc/24/76/04/552247604.db2.gz ZHNCJAPVDOTRFV-MRXNPFEDSA-N 1 1 362.430 2.462 20 5 FEBDMO COc1cc(C[NH2+][C@@](C)(C(N)=O)C(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000289468776 552326606 /nfs/dbraw/zinc/32/66/06/552326606.db2.gz YUPHKRBEUZSZKI-OAHLLOKOSA-N 1 1 361.345 2.194 20 5 FEBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000289899269 552396415 /nfs/dbraw/zinc/39/64/15/552396415.db2.gz MZSYKZDWNAHKFR-LLVKDONJSA-N 1 1 362.167 2.420 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290018456 552414642 /nfs/dbraw/zinc/41/46/42/552414642.db2.gz JTPOFNYHQZSGCA-LLVKDONJSA-N 1 1 370.837 2.423 20 5 FEBDMO C[NH+](C)Cc1cc(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)ccc1Cl ZINC000500757354 561581388 /nfs/dbraw/zinc/58/13/88/561581388.db2.gz IETWYXINCYXVTB-UHFFFAOYSA-N 1 1 364.789 2.110 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000500936239 561586000 /nfs/dbraw/zinc/58/60/00/561586000.db2.gz PSPITJIJRSTUBK-ZBFHGGJFSA-N 1 1 369.487 2.272 20 5 FEBDMO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000291500199 552630937 /nfs/dbraw/zinc/63/09/37/552630937.db2.gz POUFTWIRJDZQEW-UHFFFAOYSA-N 1 1 358.398 2.493 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000291911099 552673922 /nfs/dbraw/zinc/67/39/22/552673922.db2.gz QQMIYHLMSLOEAK-UKRRQHHQSA-N 1 1 357.414 2.030 20 5 FEBDMO CCOC(=O)c1ccnc(N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000292370622 552720472 /nfs/dbraw/zinc/72/04/72/552720472.db2.gz RZGGACVTARYTNJ-ZDUSSCGKSA-N 1 1 362.430 2.477 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000293158590 552794461 /nfs/dbraw/zinc/79/44/61/552794461.db2.gz OPOAUPFBPALXFK-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000295017255 552951752 /nfs/dbraw/zinc/95/17/52/552951752.db2.gz QJKRICYEECAJDY-LBPRGKRZSA-N 1 1 353.806 2.043 20 5 FEBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000295017254 552951806 /nfs/dbraw/zinc/95/18/06/552951806.db2.gz QJKRICYEECAJDY-GFCCVEGCSA-N 1 1 353.806 2.043 20 5 FEBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295113565 552959986 /nfs/dbraw/zinc/95/99/86/552959986.db2.gz LZVCKYYAXXBJAV-ZFWWWQNUSA-N 1 1 370.247 2.262 20 5 FEBDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000501977023 561609155 /nfs/dbraw/zinc/60/91/55/561609155.db2.gz QKEDYCPMCFYZSS-GFCCVEGCSA-N 1 1 350.419 2.158 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000295862958 553069144 /nfs/dbraw/zinc/06/91/44/553069144.db2.gz DYUOKLHZHSGEML-MAUKXSAKSA-N 1 1 362.426 2.226 20 5 FEBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297923488 553358088 /nfs/dbraw/zinc/35/80/88/553358088.db2.gz QPKGJAWMTGDPBB-OLZOCXBDSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Cc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000299302418 553545007 /nfs/dbraw/zinc/54/50/07/553545007.db2.gz KQSKBZPGDVBHTB-BFYDXBDKSA-N 1 1 361.442 2.238 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000299628319 553591765 /nfs/dbraw/zinc/59/17/65/553591765.db2.gz JUPMLVUACFBHNA-HOCLYGCPSA-N 1 1 374.441 2.093 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000301072270 553618896 /nfs/dbraw/zinc/61/88/96/553618896.db2.gz CNOPOMLIHQYOGZ-UHFFFAOYSA-N 1 1 360.439 2.338 20 5 FEBDMO Cc1cc(N2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)ccc1[N+](=O)[O-] ZINC000301410327 553649699 /nfs/dbraw/zinc/64/96/99/553649699.db2.gz ORMSYUGGPMFZKU-GOSISDBHSA-N 1 1 362.474 2.134 20 5 FEBDMO C[C@H]1C[C@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000301444604 553652019 /nfs/dbraw/zinc/65/20/19/553652019.db2.gz VEXYYXPCXGUPCG-DZGCQCFKSA-N 1 1 371.441 2.478 20 5 FEBDMO Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301767361 553678035 /nfs/dbraw/zinc/67/80/35/553678035.db2.gz ODKNCWQWSHSKSL-CZUORRHYSA-N 1 1 357.414 2.491 20 5 FEBDMO Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301767361 553678036 /nfs/dbraw/zinc/67/80/36/553678036.db2.gz ODKNCWQWSHSKSL-CZUORRHYSA-N 1 1 357.414 2.491 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](C/C=C/c4ccccc4)CC3)nn21 ZINC000301945206 553693540 /nfs/dbraw/zinc/69/35/40/553693540.db2.gz XCCFZGYHVXPDMC-QPJJXVBHSA-N 1 1 364.409 2.473 20 5 FEBDMO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000302386681 553715786 /nfs/dbraw/zinc/71/57/86/553715786.db2.gz ATFYTKJDAKVNMZ-ZDUSSCGKSA-N 1 1 364.475 2.360 20 5 FEBDMO Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302437110 553716694 /nfs/dbraw/zinc/71/66/94/553716694.db2.gz MMABKGSWFIOKBT-GJZGRUSLSA-N 1 1 371.441 2.252 20 5 FEBDMO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000507141722 561719150 /nfs/dbraw/zinc/71/91/50/561719150.db2.gz IDBSPRQOQBOKMU-PMGBHYCQSA-N 1 1 353.444 2.012 20 5 FEBDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000507141722 561719152 /nfs/dbraw/zinc/71/91/52/561719152.db2.gz IDBSPRQOQBOKMU-PMGBHYCQSA-N 1 1 353.444 2.012 20 5 FEBDMO COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc(OC)c1 ZINC000507242528 561722250 /nfs/dbraw/zinc/72/22/50/561722250.db2.gz GNPXKBULTDTQOH-UHFFFAOYSA-N 1 1 358.398 2.329 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000330454967 554123899 /nfs/dbraw/zinc/12/38/99/554123899.db2.gz WODSLLDHCPGQLP-MJBXVCDLSA-N 1 1 351.451 2.009 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000330491589 554128332 /nfs/dbraw/zinc/12/83/32/554128332.db2.gz PIURGLHEQFNKJR-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000330620025 554146419 /nfs/dbraw/zinc/14/64/19/554146419.db2.gz ZWRILXQPXCONSK-NEPJUHHUSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000330620025 554146421 /nfs/dbraw/zinc/14/64/21/554146421.db2.gz ZWRILXQPXCONSK-NEPJUHHUSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1csc([C@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000331415974 554260990 /nfs/dbraw/zinc/26/09/90/554260990.db2.gz HIXGQJGZJVLWLF-UONOGXRCSA-N 1 1 351.432 2.144 20 5 FEBDMO Cc1csc([C@H]2CCCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000331415974 554260992 /nfs/dbraw/zinc/26/09/92/554260992.db2.gz HIXGQJGZJVLWLF-UONOGXRCSA-N 1 1 351.432 2.144 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000331892484 554340425 /nfs/dbraw/zinc/34/04/25/554340425.db2.gz FSSAEWGLOBIFCP-LBPRGKRZSA-N 1 1 371.434 2.338 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332246679 554409114 /nfs/dbraw/zinc/40/91/14/554409114.db2.gz ATUWWGUHSOSBHT-RYUDHWBXSA-N 1 1 359.835 2.153 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000332631217 554487418 /nfs/dbraw/zinc/48/74/18/554487418.db2.gz UZTQIRGNXPOBMC-BDJLRTHQSA-N 1 1 353.369 2.358 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000511030883 561854416 /nfs/dbraw/zinc/85/44/16/561854416.db2.gz NQIOKPHBHXABFN-NSHDSACASA-N 1 1 361.851 2.401 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000511154311 561859736 /nfs/dbraw/zinc/85/97/36/561859736.db2.gz ZSBDFVFOWYJWMT-AWEZNQCLSA-N 1 1 357.414 2.455 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000511154311 561859738 /nfs/dbraw/zinc/85/97/38/561859738.db2.gz ZSBDFVFOWYJWMT-AWEZNQCLSA-N 1 1 357.414 2.455 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000362388287 554968513 /nfs/dbraw/zinc/96/85/13/554968513.db2.gz CXAQLACZSHKJMA-GJZGRUSLSA-N 1 1 361.398 2.128 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363256147 555065742 /nfs/dbraw/zinc/06/57/42/555065742.db2.gz HKTKMMICEROVGL-RCBQFDQVSA-N 1 1 360.370 2.059 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000512556811 561908912 /nfs/dbraw/zinc/90/89/12/561908912.db2.gz HFDQJWIOJMYYAV-UHFFFAOYSA-N 1 1 362.474 2.015 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000365542944 555604533 /nfs/dbraw/zinc/60/45/33/555604533.db2.gz ANADFKZESLUIBX-SOUVJXGZSA-N 1 1 374.397 2.368 20 5 FEBDMO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000513255379 561931262 /nfs/dbraw/zinc/93/12/62/561931262.db2.gz GGXHBOFFHIEHOK-QWRGUYRKSA-N 1 1 353.325 2.359 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367586677 556090538 /nfs/dbraw/zinc/09/05/38/556090538.db2.gz PMSIBNGCCKOAIL-IBGZPJMESA-N 1 1 355.442 2.426 20 5 FEBDMO CCC[C@@]1(CO)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000367983293 556187423 /nfs/dbraw/zinc/18/74/23/556187423.db2.gz OILXOFXEEBNHAY-GOSISDBHSA-N 1 1 365.430 2.417 20 5 FEBDMO C[NH+]1CCN(C[C@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368561417 556346196 /nfs/dbraw/zinc/34/61/96/556346196.db2.gz KHDWWVKTNLNWKZ-CYBMUJFWSA-N 1 1 353.854 2.107 20 5 FEBDMO O=C(C[N@H+]1CC[C@H](Cc2ccncc2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000368633755 556370092 /nfs/dbraw/zinc/37/00/92/556370092.db2.gz SOVHXFQIANWYBY-MRXNPFEDSA-N 1 1 366.421 2.444 20 5 FEBDMO COC[C@H]1CCCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000368657274 556376010 /nfs/dbraw/zinc/37/60/10/556376010.db2.gz AUBQQZCDHPRZGR-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO COC[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000368657274 556376011 /nfs/dbraw/zinc/37/60/11/556376011.db2.gz AUBQQZCDHPRZGR-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662680 556378024 /nfs/dbraw/zinc/37/80/24/556378024.db2.gz JZSYPRCXTNZOPP-QZTJIDSGSA-N 1 1 374.441 2.399 20 5 FEBDMO CC[C@@H]1CCCC[N@@H+]1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467797 562011654 /nfs/dbraw/zinc/01/16/54/562011654.db2.gz OXGDXPYGAJGNAZ-HZPDHXFCSA-N 1 1 351.447 2.189 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467797 562011656 /nfs/dbraw/zinc/01/16/56/562011656.db2.gz OXGDXPYGAJGNAZ-HZPDHXFCSA-N 1 1 351.447 2.189 20 5 FEBDMO COC(=O)c1cnc(N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000368974096 556464691 /nfs/dbraw/zinc/46/46/91/556464691.db2.gz NVEJZVCFIATMDD-CQSZACIVSA-N 1 1 374.441 2.477 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000369266384 556555957 /nfs/dbraw/zinc/55/59/57/556555957.db2.gz LRRDUFSHFFGFBY-AWEZNQCLSA-N 1 1 373.457 2.060 20 5 FEBDMO C[NH+]1CCC(N2CC[C@H](Nc3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)C2)CC1 ZINC000369266384 556555959 /nfs/dbraw/zinc/55/59/59/556555959.db2.gz LRRDUFSHFFGFBY-AWEZNQCLSA-N 1 1 373.457 2.060 20 5 FEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000369316148 556572912 /nfs/dbraw/zinc/57/29/12/556572912.db2.gz YPENJEOKDVEJGZ-CQSZACIVSA-N 1 1 363.414 2.193 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000369698225 556671904 /nfs/dbraw/zinc/67/19/04/556671904.db2.gz VAFMLOVADHEAGT-NFAHFFEMSA-N 1 1 359.426 2.320 20 5 FEBDMO O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370058938 556769871 /nfs/dbraw/zinc/76/98/71/556769871.db2.gz CRYVZOWQXVMZDZ-SFHVURJKSA-N 1 1 369.425 2.448 20 5 FEBDMO Nc1c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000370156959 556796229 /nfs/dbraw/zinc/79/62/29/556796229.db2.gz VGGRSNVWBJLFJR-HNNXBMFYSA-N 1 1 369.425 2.214 20 5 FEBDMO Cc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000370819168 556978681 /nfs/dbraw/zinc/97/86/81/556978681.db2.gz JHCARHHVTLFGRP-INIZCTEOSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1cccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000370819168 556978685 /nfs/dbraw/zinc/97/86/85/556978685.db2.gz JHCARHHVTLFGRP-INIZCTEOSA-N 1 1 360.458 2.144 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827259 556981150 /nfs/dbraw/zinc/98/11/50/556981150.db2.gz RIEQAXZKDWYYBR-OCCSQVGLSA-N 1 1 373.331 2.207 20 5 FEBDMO Cn1cc([C@@H]2[C@@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC[N@H+]2C)cn1 ZINC000370930373 557020264 /nfs/dbraw/zinc/02/02/64/557020264.db2.gz ZZEGLYNTAKSRLJ-BEFAXECRSA-N 1 1 371.441 2.070 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227268 557112758 /nfs/dbraw/zinc/11/27/58/557112758.db2.gz CIQQXWVPVXUXBJ-ABAIWWIYSA-N 1 1 363.805 2.394 20 5 FEBDMO C[N@@H+]1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227268 557112763 /nfs/dbraw/zinc/11/27/63/557112763.db2.gz CIQQXWVPVXUXBJ-ABAIWWIYSA-N 1 1 363.805 2.394 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227268 557112767 /nfs/dbraw/zinc/11/27/67/557112767.db2.gz CIQQXWVPVXUXBJ-ABAIWWIYSA-N 1 1 363.805 2.394 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)C1 ZINC000371334866 557150646 /nfs/dbraw/zinc/15/06/46/557150646.db2.gz HKGORJASVHJGPK-HNNXBMFYSA-N 1 1 352.398 2.348 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000373804152 557762639 /nfs/dbraw/zinc/76/26/39/557762639.db2.gz GQXCWSOMYCJFES-SJLPKXTDSA-N 1 1 363.414 2.193 20 5 FEBDMO C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374012512 557807336 /nfs/dbraw/zinc/80/73/36/557807336.db2.gz FGVCINZNAIIMNC-IDCJVQTKSA-N 1 1 350.415 2.287 20 5 FEBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374012512 557807339 /nfs/dbraw/zinc/80/73/39/557807339.db2.gz FGVCINZNAIIMNC-IDCJVQTKSA-N 1 1 350.415 2.287 20 5 FEBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000374967339 557957410 /nfs/dbraw/zinc/95/74/10/557957410.db2.gz AXXRAPNIRRJKJQ-HRCADAONSA-N 1 1 369.425 2.348 20 5 FEBDMO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1n[nH]cc1[N+](=O)[O-] ZINC000374967339 557957411 /nfs/dbraw/zinc/95/74/11/557957411.db2.gz AXXRAPNIRRJKJQ-HRCADAONSA-N 1 1 369.425 2.348 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000375038734 557968103 /nfs/dbraw/zinc/96/81/03/557968103.db2.gz LVOPSONJDKXPAF-NHYWBVRUSA-N 1 1 352.822 2.213 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C[C@@H]21 ZINC000375050317 557970002 /nfs/dbraw/zinc/97/00/02/557970002.db2.gz QIGUPNDMKMDDNF-KDOFPFPSSA-N 1 1 358.442 2.361 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000375085590 557975339 /nfs/dbraw/zinc/97/53/39/557975339.db2.gz TVUWEOXBRSZNFY-LBPRGKRZSA-N 1 1 368.821 2.434 20 5 FEBDMO COc1cc(OCC(=O)N2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000375207722 557992160 /nfs/dbraw/zinc/99/21/60/557992160.db2.gz MXKQIQUJIOODPT-UHFFFAOYSA-N 1 1 363.414 2.069 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)c3c(F)cccc3F)C2)c1 ZINC000375406159 558021735 /nfs/dbraw/zinc/02/17/35/558021735.db2.gz UGHRZDPCKBLAJT-XHDPSFHLSA-N 1 1 352.341 2.440 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H](O)c3c(F)cccc3F)C2)c1 ZINC000375406159 558021737 /nfs/dbraw/zinc/02/17/37/558021737.db2.gz UGHRZDPCKBLAJT-XHDPSFHLSA-N 1 1 352.341 2.440 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000375737432 558074786 /nfs/dbraw/zinc/07/47/86/558074786.db2.gz CACSWJPGUDEHAA-DLBZAZTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000375737432 558074788 /nfs/dbraw/zinc/07/47/88/558074788.db2.gz CACSWJPGUDEHAA-DLBZAZTESA-N 1 1 363.414 2.112 20 5 FEBDMO COC(=O)c1cc(C)nc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000376216341 558142713 /nfs/dbraw/zinc/14/27/13/558142713.db2.gz ACMPCYRGAFRMCZ-AEGPPILISA-N 1 1 360.414 2.005 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000376493796 558180813 /nfs/dbraw/zinc/18/08/13/558180813.db2.gz BJZLCHQJKXQXEU-UHFFFAOYSA-N 1 1 360.418 2.098 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000376827314 558226532 /nfs/dbraw/zinc/22/65/32/558226532.db2.gz HUPCXXBULSDLAX-PBHICJAKSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000376827314 558226534 /nfs/dbraw/zinc/22/65/34/558226534.db2.gz HUPCXXBULSDLAX-PBHICJAKSA-N 1 1 358.373 2.491 20 5 FEBDMO O=C(C[NH+]1CCC(c2cn[nH]c2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000377490114 558350270 /nfs/dbraw/zinc/35/02/70/558350270.db2.gz PNZQXQOIGJEKMV-UHFFFAOYSA-N 1 1 355.398 2.087 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)c1 ZINC000377725900 558406103 /nfs/dbraw/zinc/40/61/03/558406103.db2.gz RJEHCUAMCQRYFN-BBRMVZONSA-N 1 1 350.806 2.153 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377763842 558415182 /nfs/dbraw/zinc/41/51/82/558415182.db2.gz QJCBRMGTTHHKLJ-OLZOCXBDSA-N 1 1 365.434 2.017 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377763842 558415185 /nfs/dbraw/zinc/41/51/85/558415185.db2.gz QJCBRMGTTHHKLJ-OLZOCXBDSA-N 1 1 365.434 2.017 20 5 FEBDMO CCCn1nc2c(cc1=O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000377838435 558432472 /nfs/dbraw/zinc/43/24/72/558432472.db2.gz YWSRMJBSGPBQQN-UHFFFAOYSA-N 1 1 358.398 2.128 20 5 FEBDMO CCCn1nc2c(cc1=O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC2 ZINC000377838435 558432473 /nfs/dbraw/zinc/43/24/73/558432473.db2.gz YWSRMJBSGPBQQN-UHFFFAOYSA-N 1 1 358.398 2.128 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H](CO)C1 ZINC000378007701 558462261 /nfs/dbraw/zinc/46/22/61/558462261.db2.gz QGZRNKWZDUCVOZ-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000378506812 558571917 /nfs/dbraw/zinc/57/19/17/558571917.db2.gz JNJIRFBLIHBLKG-DOMZBBRYSA-N 1 1 353.444 2.120 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000378506812 558571920 /nfs/dbraw/zinc/57/19/20/558571920.db2.gz JNJIRFBLIHBLKG-DOMZBBRYSA-N 1 1 353.444 2.120 20 5 FEBDMO C[N@H+]1CCCC12CCN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])CC2 ZINC000408103532 558646505 /nfs/dbraw/zinc/64/65/05/558646505.db2.gz IBYJNVKFRZPKEY-UHFFFAOYSA-N 1 1 353.444 2.063 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105926 562240635 /nfs/dbraw/zinc/24/06/35/562240635.db2.gz BYPVXSXDDJIIMZ-UWVGGRQHSA-N 1 1 373.356 2.417 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000411258983 558862322 /nfs/dbraw/zinc/86/23/22/558862322.db2.gz AEVKJNMCAUSEJH-INIZCTEOSA-N 1 1 374.441 2.222 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C(C)(C)O)c([N+](=O)[O-])c1 ZINC000411395839 558887481 /nfs/dbraw/zinc/88/74/81/558887481.db2.gz DYBHBASTCWVQDF-HNNXBMFYSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000411401367 558888093 /nfs/dbraw/zinc/88/80/93/558888093.db2.gz XHYDFKMEGQXKRA-WBMJQRKESA-N 1 1 351.403 2.025 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000411413012 558890151 /nfs/dbraw/zinc/89/01/51/558890151.db2.gz YDRAWSSIDCFVPI-KBPBESRZSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000411413012 558890153 /nfs/dbraw/zinc/89/01/53/558890153.db2.gz YDRAWSSIDCFVPI-KBPBESRZSA-N 1 1 362.430 2.091 20 5 FEBDMO Cc1nnc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000412041392 559005425 /nfs/dbraw/zinc/00/54/25/559005425.db2.gz MROKHECDRWFGIG-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000412041392 559005427 /nfs/dbraw/zinc/00/54/27/559005427.db2.gz MROKHECDRWFGIG-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000412041392 559005428 /nfs/dbraw/zinc/00/54/28/559005428.db2.gz MROKHECDRWFGIG-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@H]2CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000412041392 559005430 /nfs/dbraw/zinc/00/54/30/559005430.db2.gz MROKHECDRWFGIG-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3C)C2)n[nH]1 ZINC000412041392 559005432 /nfs/dbraw/zinc/00/54/32/559005432.db2.gz MROKHECDRWFGIG-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO CCOc1cc(C[N@@H+]2CCSC[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000412083750 559011445 /nfs/dbraw/zinc/01/14/45/559011445.db2.gz SKLQTUASBVXVCZ-CYBMUJFWSA-N 1 1 354.428 2.332 20 5 FEBDMO CCOc1cc(C[N@H+]2CCSC[C@H](C(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000412083750 559011446 /nfs/dbraw/zinc/01/14/46/559011446.db2.gz SKLQTUASBVXVCZ-CYBMUJFWSA-N 1 1 354.428 2.332 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000412090363 559012124 /nfs/dbraw/zinc/01/21/24/559012124.db2.gz UGMRCEYPRIRVDV-CQSZACIVSA-N 1 1 362.430 2.221 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000412113210 559014943 /nfs/dbraw/zinc/01/49/43/559014943.db2.gz XHHIVXWUSOUZOK-KRWDZBQOSA-N 1 1 350.371 2.236 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000412113210 559014944 /nfs/dbraw/zinc/01/49/44/559014944.db2.gz XHHIVXWUSOUZOK-KRWDZBQOSA-N 1 1 350.371 2.236 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412289771 559025266 /nfs/dbraw/zinc/02/52/66/559025266.db2.gz NWFLNAHJRSIUOL-ZOCIIQOWSA-N 1 1 373.453 2.410 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1F ZINC000412414064 559034076 /nfs/dbraw/zinc/03/40/76/559034076.db2.gz FZJPLOYXHPIRIM-GFCCVEGCSA-N 1 1 353.394 2.133 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1F ZINC000413630160 559121398 /nfs/dbraw/zinc/12/13/98/559121398.db2.gz KIRGPNWCEHBMDH-GXTWGEPZSA-N 1 1 365.405 2.228 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000414475363 559167213 /nfs/dbraw/zinc/16/72/13/559167213.db2.gz XIBXVKQGSLIXMO-LLVKDONJSA-N 1 1 366.443 2.331 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C[N@@H+]1CCO ZINC000416304438 559304495 /nfs/dbraw/zinc/30/44/95/559304495.db2.gz YZXLCEJARURWBO-KGLIPLIRSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1CCO ZINC000416304438 559304496 /nfs/dbraw/zinc/30/44/96/559304496.db2.gz YZXLCEJARURWBO-KGLIPLIRSA-N 1 1 363.458 2.419 20 5 FEBDMO COc1cc(C[NH2+]CC2(N(C)C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000418116563 559390609 /nfs/dbraw/zinc/39/06/09/559390609.db2.gz QYBSDANDYMVBBY-UHFFFAOYSA-N 1 1 359.373 2.431 20 5 FEBDMO Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001115 559425153 /nfs/dbraw/zinc/42/51/53/559425153.db2.gz LHNHHSKGJLVVFA-CABCVRRESA-N 1 1 371.441 2.252 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CC[NH2+]Cc2ccccc21 ZINC000420416547 559486661 /nfs/dbraw/zinc/48/66/61/559486661.db2.gz JKSSUPMYJBJTME-UHFFFAOYSA-N 1 1 361.423 2.077 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420615058 559493951 /nfs/dbraw/zinc/49/39/51/559493951.db2.gz ZIURJKYQUWJKBH-YOEHRIQHSA-N 1 1 369.425 2.218 20 5 FEBDMO C[N@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000420620423 559494196 /nfs/dbraw/zinc/49/41/96/559494196.db2.gz DICAYUYPMIPOMC-HNNXBMFYSA-N 1 1 354.410 2.057 20 5 FEBDMO Cc1ccc([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1[N+](=O)[O-] ZINC000423376626 559627249 /nfs/dbraw/zinc/62/72/49/559627249.db2.gz DWPILMOEKAKADS-DOMZBBRYSA-N 1 1 360.380 2.390 20 5 FEBDMO [NH3+]C1CCN(CCCC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000423857756 559643117 /nfs/dbraw/zinc/64/31/17/559643117.db2.gz ZATYVQOMVQSAFP-UHFFFAOYSA-N 1 1 354.838 2.068 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000425007664 559683499 /nfs/dbraw/zinc/68/34/99/559683499.db2.gz ZZJGKWSIIQTOCZ-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000425446056 559702700 /nfs/dbraw/zinc/70/27/00/559702700.db2.gz OMHQZZHJJSQGEV-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO CCOc1ccc(NC(=O)CN2CC[N@@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425473751 559704137 /nfs/dbraw/zinc/70/41/37/559704137.db2.gz ISSQZUMBCAYZNC-KRWDZBQOSA-N 1 1 364.446 2.204 20 5 FEBDMO COCC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000426530269 559736951 /nfs/dbraw/zinc/73/69/51/559736951.db2.gz OKAFVCYFFDRMNS-KRWDZBQOSA-N 1 1 360.414 2.233 20 5 FEBDMO CC[C@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000427201330 559750317 /nfs/dbraw/zinc/75/03/17/559750317.db2.gz ZHKOUEPTAHHVAH-MRXNPFEDSA-N 1 1 371.441 2.378 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cccc4c(=O)c5cccc(F)c5[nH]c34)C[C@H]2C1 ZINC000427789968 559762583 /nfs/dbraw/zinc/76/25/83/559762583.db2.gz PSPVYXGJYLCBCO-BETUJISGSA-N 1 1 365.408 2.454 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000428858918 559784910 /nfs/dbraw/zinc/78/49/10/559784910.db2.gz GQEHNXUAMIORJW-UGSOOPFHSA-N 1 1 370.409 2.089 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000428858916 559784979 /nfs/dbraw/zinc/78/49/79/559784979.db2.gz GQEHNXUAMIORJW-SCLBCKFNSA-N 1 1 370.409 2.089 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)cc1 ZINC000428927171 559786141 /nfs/dbraw/zinc/78/61/41/559786141.db2.gz DPKKBNHFGWOEAW-UHFFFAOYSA-N 1 1 368.455 2.264 20 5 FEBDMO C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000429242043 559793764 /nfs/dbraw/zinc/79/37/64/559793764.db2.gz OVAIMLSFBAKACM-AWEZNQCLSA-N 1 1 360.389 2.106 20 5 FEBDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000429242043 559793765 /nfs/dbraw/zinc/79/37/65/559793765.db2.gz OVAIMLSFBAKACM-AWEZNQCLSA-N 1 1 360.389 2.106 20 5 FEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnnn3Cc3ccccc3)CC2)n1 ZINC000430068772 559812395 /nfs/dbraw/zinc/81/23/95/559812395.db2.gz TUKUJUQHXYGOOJ-UHFFFAOYSA-N 1 1 367.413 2.268 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000434769290 559909016 /nfs/dbraw/zinc/90/90/16/559909016.db2.gz VMLJGAGQLLJAGL-CYBMUJFWSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000434769290 559909017 /nfs/dbraw/zinc/90/90/17/559909017.db2.gz VMLJGAGQLLJAGL-CYBMUJFWSA-N 1 1 357.407 2.029 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000435431671 559922948 /nfs/dbraw/zinc/92/29/48/559922948.db2.gz JWIROADIWCRIQX-AWEZNQCLSA-N 1 1 355.460 2.363 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000437992201 559972654 /nfs/dbraw/zinc/97/26/54/559972654.db2.gz ZFWONDZZNWGVOY-UHFFFAOYSA-N 1 1 364.471 2.318 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@H]1CCO ZINC000438642869 559981642 /nfs/dbraw/zinc/98/16/42/559981642.db2.gz CGTZLYAFGRHBTE-CQSZACIVSA-N 1 1 353.444 2.032 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@@H]1CCO ZINC000438642868 559981679 /nfs/dbraw/zinc/98/16/79/559981679.db2.gz CGTZLYAFGRHBTE-AWEZNQCLSA-N 1 1 353.444 2.032 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000439008804 559987121 /nfs/dbraw/zinc/98/71/21/559987121.db2.gz UKHQISLFUYWFQZ-OAHLLOKOSA-N 1 1 367.471 2.422 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000440094464 560004662 /nfs/dbraw/zinc/00/46/62/560004662.db2.gz VRAFDVLMKJOUER-OCCSQVGLSA-N 1 1 355.460 2.302 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000443765910 560092120 /nfs/dbraw/zinc/09/21/20/560092120.db2.gz TZYLUFWWPMNYPF-UKRRQHHQSA-N 1 1 355.460 2.229 20 5 FEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191889 560130584 /nfs/dbraw/zinc/13/05/84/560130584.db2.gz YCEOWBWCAAKWLQ-WFASDCNBSA-N 1 1 356.382 2.261 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000446328620 560144336 /nfs/dbraw/zinc/14/43/36/560144336.db2.gz CPTZPZYOQDONQG-LBPRGKRZSA-N 1 1 369.849 2.474 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000446328620 560144337 /nfs/dbraw/zinc/14/43/37/560144337.db2.gz CPTZPZYOQDONQG-LBPRGKRZSA-N 1 1 369.849 2.474 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCC[NH+]1CCN(C)CC1 ZINC000447802313 560169438 /nfs/dbraw/zinc/16/94/38/560169438.db2.gz JOCCSDBHANPEPS-UHFFFAOYSA-N 1 1 370.837 2.084 20 5 FEBDMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000447807450 560169555 /nfs/dbraw/zinc/16/95/55/560169555.db2.gz ROBVXLRIEMPJGV-SJORKVTESA-N 1 1 360.458 2.466 20 5 FEBDMO CC1=CC[N@@H+](CCNc2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000447819336 560170007 /nfs/dbraw/zinc/17/00/07/560170007.db2.gz ZIMDLEGSBBMCRE-UHFFFAOYSA-N 1 1 360.458 2.491 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447945023 560174378 /nfs/dbraw/zinc/17/43/78/560174378.db2.gz UVECMPGPHMIKDP-HNNXBMFYSA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N2CCN(C)CC2)nc1 ZINC000449077598 560215114 /nfs/dbraw/zinc/21/51/14/560215114.db2.gz WBPVMTRVZBMNCT-MRXNPFEDSA-N 1 1 369.469 2.462 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449914501 560245176 /nfs/dbraw/zinc/24/51/76/560245176.db2.gz VHADCFSAXBDMBA-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449985941 560247341 /nfs/dbraw/zinc/24/73/41/560247341.db2.gz NPPFVLDMXPESEW-SJKOYZFVSA-N 1 1 357.414 2.397 20 5 FEBDMO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449985941 560247342 /nfs/dbraw/zinc/24/73/42/560247342.db2.gz NPPFVLDMXPESEW-SJKOYZFVSA-N 1 1 357.414 2.397 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449985941 560247343 /nfs/dbraw/zinc/24/73/43/560247343.db2.gz NPPFVLDMXPESEW-SJKOYZFVSA-N 1 1 357.414 2.397 20 5 FEBDMO COc1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])cc1F ZINC000450374457 560260473 /nfs/dbraw/zinc/26/04/73/560260473.db2.gz BWKROCWLPNRUJF-UHFFFAOYSA-N 1 1 351.378 2.443 20 5 FEBDMO O=[N+]([O-])c1ccc(N(CCC[NH+]2CCOCC2)Cc2ccncc2)cn1 ZINC000450393283 560260991 /nfs/dbraw/zinc/26/09/91/560260991.db2.gz QKDOQWUWVCGYBO-UHFFFAOYSA-N 1 1 357.414 2.114 20 5 FEBDMO COc1ccc(-c2noc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)nn1 ZINC000450934947 560279091 /nfs/dbraw/zinc/27/90/91/560279091.db2.gz GJTRNOAGHKBJGF-UHFFFAOYSA-N 1 1 370.369 2.118 20 5 FEBDMO COc1ccc(-c2noc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)nn1 ZINC000450934947 560279092 /nfs/dbraw/zinc/27/90/92/560279092.db2.gz GJTRNOAGHKBJGF-UHFFFAOYSA-N 1 1 370.369 2.118 20 5 FEBDMO COc1cc(-c2noc(C[N@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)ncn1 ZINC000450936722 560279291 /nfs/dbraw/zinc/27/92/91/560279291.db2.gz HYPHEUWPKDPVJH-UHFFFAOYSA-N 1 1 370.369 2.118 20 5 FEBDMO COc1cc(-c2noc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)n2)ncn1 ZINC000450936722 560279292 /nfs/dbraw/zinc/27/92/92/560279292.db2.gz HYPHEUWPKDPVJH-UHFFFAOYSA-N 1 1 370.369 2.118 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451341105 560301419 /nfs/dbraw/zinc/30/14/19/560301419.db2.gz KRVNRUWYDRBXKH-YQVWRLOYSA-N 1 1 373.453 2.499 20 5 FEBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+](Cc2ccccc2)C1 ZINC000451707581 560323590 /nfs/dbraw/zinc/32/35/90/560323590.db2.gz LPFYZOSRHZFMRQ-QGZVFWFLSA-N 1 1 370.453 2.210 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451782416 560328294 /nfs/dbraw/zinc/32/82/94/560328294.db2.gz QSPALMZCSRBXOH-ZDUSSCGKSA-N 1 1 353.419 2.271 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452386276 560362505 /nfs/dbraw/zinc/36/25/05/560362505.db2.gz WQCKOJGTWWMTSS-IAGOWNOFSA-N 1 1 363.458 2.127 20 5 FEBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCC1 ZINC000452712894 560372025 /nfs/dbraw/zinc/37/20/25/560372025.db2.gz AMJATYZSHJWUNZ-UHFFFAOYSA-N 1 1 370.409 2.480 20 5 FEBDMO CON1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000453613080 560391169 /nfs/dbraw/zinc/39/11/69/560391169.db2.gz BFOHNTLKAFLZFQ-UHFFFAOYSA-N 1 1 359.430 2.453 20 5 FEBDMO CNc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000454391188 560442685 /nfs/dbraw/zinc/44/26/85/560442685.db2.gz UVCFKGFBOJPERU-AWEZNQCLSA-N 1 1 355.398 2.036 20 5 FEBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000456171905 560509547 /nfs/dbraw/zinc/50/95/47/560509547.db2.gz CXYPPQDOPVYMTD-CYBMUJFWSA-N 1 1 350.419 2.322 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456361165 560517430 /nfs/dbraw/zinc/51/74/30/560517430.db2.gz VRTBSNGUMKLVMM-CQSZACIVSA-N 1 1 357.414 2.337 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456361165 560517431 /nfs/dbraw/zinc/51/74/31/560517431.db2.gz VRTBSNGUMKLVMM-CQSZACIVSA-N 1 1 357.414 2.337 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000457095117 560548336 /nfs/dbraw/zinc/54/83/36/560548336.db2.gz PIYOEPVHNUYPHL-AWEZNQCLSA-N 1 1 367.471 2.234 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000458178194 560607118 /nfs/dbraw/zinc/60/71/18/560607118.db2.gz WEHNYBKBUAKHQE-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000461548250 560775166 /nfs/dbraw/zinc/77/51/66/560775166.db2.gz XCOZXBPYUWUAHP-LBPRGKRZSA-N 1 1 353.419 2.462 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCCc2ccncc2)CC1 ZINC000462337604 560806437 /nfs/dbraw/zinc/80/64/37/560806437.db2.gz TVHLQALXUMDXAL-UHFFFAOYSA-N 1 1 354.410 2.380 20 5 FEBDMO O=C1C[C@@]2(CN1)CCC[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000464799632 560851562 /nfs/dbraw/zinc/85/15/62/560851562.db2.gz QTHCUZYJQODEOY-LJQANCHMSA-N 1 1 370.409 2.394 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000467424388 560909814 /nfs/dbraw/zinc/90/98/14/560909814.db2.gz SOXKVRWOQJASFZ-GFCCVEGCSA-N 1 1 359.473 2.214 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000467713617 560915559 /nfs/dbraw/zinc/91/55/59/560915559.db2.gz MVPPIATZXHFMAN-QFYYESIMSA-N 1 1 356.382 2.061 20 5 FEBDMO CCOC(=O)c1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000467779502 560917163 /nfs/dbraw/zinc/91/71/63/560917163.db2.gz AWPPAYXAUIDSBX-OLZOCXBDSA-N 1 1 351.403 2.293 20 5 FEBDMO Cn1ccnc1C[NH+]1CCC(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470707180 560987812 /nfs/dbraw/zinc/98/78/12/560987812.db2.gz KOTCTYBIAWGRLP-UHFFFAOYSA-N 1 1 361.377 2.318 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000471170102 560999618 /nfs/dbraw/zinc/99/96/18/560999618.db2.gz SSEMKUIAVIZWRU-CYBMUJFWSA-N 1 1 371.397 2.496 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000472226874 561021516 /nfs/dbraw/zinc/02/15/16/561021516.db2.gz YQBVTOISAHEGRD-UHFFFAOYSA-N 1 1 359.430 2.457 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000475097277 561090396 /nfs/dbraw/zinc/09/03/96/561090396.db2.gz YUKSSYMNGBJKGQ-GDBMZVCRSA-N 1 1 366.414 2.130 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000475706400 561102804 /nfs/dbraw/zinc/10/28/04/561102804.db2.gz PBWDYBPYVHMAGH-HUUCEWRRSA-N 1 1 364.398 2.148 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000476421569 561119079 /nfs/dbraw/zinc/11/90/79/561119079.db2.gz YSHCRFQASPGCCG-ZDUSSCGKSA-N 1 1 360.414 2.043 20 5 FEBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476649400 561125234 /nfs/dbraw/zinc/12/52/34/561125234.db2.gz RYAIHMOGRUNKTJ-KBPBESRZSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476649400 561125235 /nfs/dbraw/zinc/12/52/35/561125235.db2.gz RYAIHMOGRUNKTJ-KBPBESRZSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c2)C[C@@H](C)O1 ZINC000477019588 561134353 /nfs/dbraw/zinc/13/43/53/561134353.db2.gz VSMHJKHGRQFBNS-CHWSQXEVSA-N 1 1 373.413 2.190 20 5 FEBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])nn3C)c2)C[C@H](C)O1 ZINC000477019589 561134356 /nfs/dbraw/zinc/13/43/56/561134356.db2.gz VSMHJKHGRQFBNS-STQMWFEESA-N 1 1 373.413 2.190 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000530710806 562421394 /nfs/dbraw/zinc/42/13/94/562421394.db2.gz SQJHOOISVBUZHM-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000532563331 562481523 /nfs/dbraw/zinc/48/15/23/562481523.db2.gz OPBZJWXGABVLFQ-IUODEOHRSA-N 1 1 373.409 2.412 20 5 FEBDMO Cc1[nH+]ccn1CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000534955781 562546143 /nfs/dbraw/zinc/54/61/43/562546143.db2.gz VLJAKIPWJAWRGX-UHFFFAOYSA-N 1 1 363.443 2.009 20 5 FEBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000535755634 562566867 /nfs/dbraw/zinc/56/68/67/562566867.db2.gz URZFWOOPPYOABL-UHFFFAOYSA-N 1 1 364.446 2.200 20 5 FEBDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000568812891 568229601 /nfs/dbraw/zinc/22/96/01/568229601.db2.gz WSYGIOLAHKKSQO-CYBMUJFWSA-N 1 1 350.419 2.228 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@H]([NH2+]Cc2ccccc2)c2ccco2)c1[N+](=O)[O-] ZINC000570185825 568460001 /nfs/dbraw/zinc/46/00/01/568460001.db2.gz UWNNXNOBXZGVJI-AWEZNQCLSA-N 1 1 369.381 2.480 20 5 FEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000570749380 568510666 /nfs/dbraw/zinc/51/06/66/568510666.db2.gz SDBGXFSEORXEDR-SZMVWBNQSA-N 1 1 374.441 2.330 20 5 FEBDMO COc1cc(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c([N+](=O)[O-])cc1OC ZINC000737045825 598465540 /nfs/dbraw/zinc/46/55/40/598465540.db2.gz OPUPOVAWCFQZFW-UHFFFAOYSA-N 1 1 370.369 2.082 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000809860242 674517742 /nfs/dbraw/zinc/51/77/42/674517742.db2.gz IWLQKVJMHUBXCW-GFCCVEGCSA-N 1 1 361.439 2.441 20 5 FEBDMO CC(=O)NCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCSCC1 ZINC000558863623 674518586 /nfs/dbraw/zinc/51/85/86/674518586.db2.gz BRDIOOHJRWTDOP-UHFFFAOYSA-N 1 1 367.471 2.307 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000809918681 674519602 /nfs/dbraw/zinc/51/96/02/674519602.db2.gz ZIQGZCHXPPKILO-UHFFFAOYSA-N 1 1 369.853 2.397 20 5 FEBDMO O=[N+]([O-])c1cc(NCC[N@H+]2CCc3ccccc3C2)ccc1-c1nn[nH]n1 ZINC000823635225 606645223 /nfs/dbraw/zinc/64/52/23/606645223.db2.gz UHUXGUJQZCACSR-UHFFFAOYSA-N 1 1 365.397 2.245 20 5 FEBDMO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000824563472 608468506 /nfs/dbraw/zinc/46/85/06/608468506.db2.gz PCVKAUWHZVGGTA-VIFPVBQESA-N 1 1 373.398 2.126 20 5 FEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000815018451 674897951 /nfs/dbraw/zinc/89/79/51/674897951.db2.gz QBSFRIFGFXYWGN-DTWKUNHWSA-N 1 1 365.814 2.148 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000563754172 674935831 /nfs/dbraw/zinc/93/58/31/674935831.db2.gz KUPMZKUFNAKIHV-CZUORRHYSA-N 1 1 355.460 2.229 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3F)C[C@@H]2C1 ZINC001048814490 675015621 /nfs/dbraw/zinc/01/56/21/675015621.db2.gz OECYDBXNVMMVOU-QVHKTLOISA-N 1 1 367.808 2.035 20 5 FEBDMO Cc1c(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000047147814 670235025 /nfs/dbraw/zinc/23/50/25/670235025.db2.gz VUKBCAQQVGSWEV-NSHDSACASA-N 1 1 350.375 2.273 20 5 FEBDMO CC[N@@H+](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000110481034 670849575 /nfs/dbraw/zinc/84/95/75/670849575.db2.gz ZBOFWCRXVIFCGU-UHFFFAOYSA-N 1 1 363.386 2.487 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000114062328 670889204 /nfs/dbraw/zinc/88/92/04/670889204.db2.gz GLBSQPAJNAYYCG-UWVGGRQHSA-N 1 1 357.794 2.316 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@@]2(CCSC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000566172096 675189249 /nfs/dbraw/zinc/18/92/49/675189249.db2.gz AFURMIFASXOSGK-INIZCTEOSA-N 1 1 351.428 2.131 20 5 FEBDMO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCCO1 ZINC000576178116 671349450 /nfs/dbraw/zinc/34/94/50/671349450.db2.gz COQOBIARDMLSFF-HNNXBMFYSA-N 1 1 352.387 2.148 20 5 FEBDMO COC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCCO1 ZINC000576178116 671349453 /nfs/dbraw/zinc/34/94/53/671349453.db2.gz COQOBIARDMLSFF-HNNXBMFYSA-N 1 1 352.387 2.148 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609387863 675921089 /nfs/dbraw/zinc/92/10/89/675921089.db2.gz LNBWRQZHGRCKDO-LLVKDONJSA-N 1 1 359.835 2.011 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609387900 675921164 /nfs/dbraw/zinc/92/11/64/675921164.db2.gz NCKUESCOJYMGJQ-GFCCVEGCSA-N 1 1 359.835 2.011 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)CC(C)(C)C ZINC000609483509 675923255 /nfs/dbraw/zinc/92/32/55/675923255.db2.gz PZKCLEGQZUNCJX-UHFFFAOYSA-N 1 1 353.419 2.272 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000609560585 675926252 /nfs/dbraw/zinc/92/62/52/675926252.db2.gz RGEYRSIUQQFYNX-FRRDWIJNSA-N 1 1 370.475 2.021 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000609560588 675926281 /nfs/dbraw/zinc/92/62/81/675926281.db2.gz RGEYRSIUQQFYNX-XQQFMLRXSA-N 1 1 370.475 2.021 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CCO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000609539655 675925051 /nfs/dbraw/zinc/92/50/51/675925051.db2.gz CMMIMRAAVREWBU-UHFFFAOYSA-N 1 1 353.419 2.272 20 5 FEBDMO CCOC(=O)c1ccnc(N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609962062 675945394 /nfs/dbraw/zinc/94/53/94/675945394.db2.gz YRPNLKPNEHAYQH-UHFFFAOYSA-N 1 1 350.419 2.477 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000120740815 671934358 /nfs/dbraw/zinc/93/43/58/671934358.db2.gz FQRMSJSFDQHYMX-NSHDSACASA-N 1 1 359.423 2.053 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000121456267 671949993 /nfs/dbraw/zinc/94/99/93/671949993.db2.gz GDSMRNDAJXCOAK-BETUJISGSA-N 1 1 367.471 2.498 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000121456267 671949997 /nfs/dbraw/zinc/94/99/97/671949997.db2.gz GDSMRNDAJXCOAK-BETUJISGSA-N 1 1 367.471 2.498 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000121744311 671956431 /nfs/dbraw/zinc/95/64/31/671956431.db2.gz LXRJPCICBBZEAK-GFCCVEGCSA-N 1 1 355.822 2.317 20 5 FEBDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225289 672374577 /nfs/dbraw/zinc/37/45/77/672374577.db2.gz ORFKFYJALLQPGX-ZDUSSCGKSA-N 1 1 353.423 2.123 20 5 FEBDMO Cc1cc(F)cc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000176902078 672377907 /nfs/dbraw/zinc/37/79/07/672377907.db2.gz HKKDHQJXECAZBC-AWEZNQCLSA-N 1 1 353.394 2.129 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000589307893 672521099 /nfs/dbraw/zinc/52/10/99/672521099.db2.gz OVPGIXCZEOFAOB-GFCCVEGCSA-N 1 1 359.448 2.002 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc([N+](=O)[O-])c1C ZINC000590539731 672588308 /nfs/dbraw/zinc/58/83/08/672588308.db2.gz ZRPUKSWZQXDMCX-UONOGXRCSA-N 1 1 351.378 2.170 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000590562498 672589770 /nfs/dbraw/zinc/58/97/70/672589770.db2.gz LYRXXSPLDLMLFG-HUUCEWRRSA-N 1 1 353.806 2.183 20 5 FEBDMO CC(C)Cn1nccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592367222 672792594 /nfs/dbraw/zinc/79/25/94/672792594.db2.gz MCYRBSRHESUOHG-UHFFFAOYSA-N 1 1 366.443 2.011 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000249690163 672873686 /nfs/dbraw/zinc/87/36/86/672873686.db2.gz QHQVBARMSKTBLP-VXGBXAGGSA-N 1 1 359.423 2.133 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593338369 672910636 /nfs/dbraw/zinc/91/06/36/672910636.db2.gz HZPBKFYTXCSJOZ-UHFFFAOYSA-N 1 1 367.471 2.256 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)CSc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000593338369 672910641 /nfs/dbraw/zinc/91/06/41/672910641.db2.gz HZPBKFYTXCSJOZ-UHFFFAOYSA-N 1 1 367.471 2.256 20 5 FEBDMO Cc1c(Br)c(N[C@H](C)[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000612449000 676082700 /nfs/dbraw/zinc/08/27/00/676082700.db2.gz FBFITHNMMDCAEM-MWLCHTKSSA-N 1 1 359.224 2.192 20 5 FEBDMO Cc1c(Br)c(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000612449000 676082702 /nfs/dbraw/zinc/08/27/02/676082702.db2.gz FBFITHNMMDCAEM-MWLCHTKSSA-N 1 1 359.224 2.192 20 5 FEBDMO Cc1c(Br)c(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000612448999 676082743 /nfs/dbraw/zinc/08/27/43/676082743.db2.gz FBFITHNMMDCAEM-KOLCDFICSA-N 1 1 359.224 2.192 20 5 FEBDMO Cc1c(Br)c(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000612448999 676082746 /nfs/dbraw/zinc/08/27/46/676082746.db2.gz FBFITHNMMDCAEM-KOLCDFICSA-N 1 1 359.224 2.192 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027232 673022163 /nfs/dbraw/zinc/02/21/63/673022163.db2.gz SSUYFQGKWYNEJL-ZBFHGGJFSA-N 1 1 350.415 2.368 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594789769 673142944 /nfs/dbraw/zinc/14/29/44/673142944.db2.gz KPXVFCPJENBWQO-GFCCVEGCSA-N 1 1 371.459 2.002 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594792391 673144646 /nfs/dbraw/zinc/14/46/46/673144646.db2.gz QFKBLOJRWIQPHY-OAHLLOKOSA-N 1 1 369.487 2.177 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594794234 673145754 /nfs/dbraw/zinc/14/57/54/673145754.db2.gz ZPNRLOLWSJJBRJ-GFCCVEGCSA-N 1 1 371.459 2.002 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1C ZINC000594800853 673147529 /nfs/dbraw/zinc/14/75/29/673147529.db2.gz IJTKMFKFEHULRV-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594800899 673147940 /nfs/dbraw/zinc/14/79/40/673147940.db2.gz JLQAYDGHEVKWOQ-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CCN1CCN(C)CC1 ZINC000595031720 673187754 /nfs/dbraw/zinc/18/77/54/673187754.db2.gz CBMXTMCEHJWUGG-CABCVRRESA-N 1 1 350.463 2.280 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000595409196 673245474 /nfs/dbraw/zinc/24/54/74/673245474.db2.gz BDRRZRMGHBPMMC-ZDUSSCGKSA-N 1 1 371.434 2.134 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595412193 673245899 /nfs/dbraw/zinc/24/58/99/673245899.db2.gz VWTPZAOZURVICH-OAHLLOKOSA-N 1 1 367.471 2.304 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@](O)(C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595749073 673288901 /nfs/dbraw/zinc/28/89/01/673288901.db2.gz DAZXWPVMJPJSTO-INIZCTEOSA-N 1 1 353.806 2.424 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@](O)(C2CC2)C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595749073 673288904 /nfs/dbraw/zinc/28/89/04/673288904.db2.gz DAZXWPVMJPJSTO-INIZCTEOSA-N 1 1 353.806 2.424 20 5 FEBDMO COc1cc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596112146 673359933 /nfs/dbraw/zinc/35/99/33/673359933.db2.gz HXJTWGKNMKIEOO-SWLSCSKDSA-N 1 1 355.822 2.292 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596133796 673362297 /nfs/dbraw/zinc/36/22/97/673362297.db2.gz DQMGYWVGXCWFFT-UHFFFAOYSA-N 1 1 366.219 2.417 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000596145992 673363077 /nfs/dbraw/zinc/36/30/77/673363077.db2.gz JLPIZVJGQWXTKR-OLZOCXBDSA-N 1 1 370.475 2.178 20 5 FEBDMO Nc1ccc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596210932 673368426 /nfs/dbraw/zinc/36/84/26/673368426.db2.gz RXKBEMSLYLVYES-AWEZNQCLSA-N 1 1 359.455 2.602 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1OC(F)F ZINC000596539692 673392579 /nfs/dbraw/zinc/39/25/79/673392579.db2.gz PVVYASQETMQXTG-ZDUSSCGKSA-N 1 1 357.357 2.232 20 5 FEBDMO COc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596540961 673392835 /nfs/dbraw/zinc/39/28/35/673392835.db2.gz XIIAHLSDRLLWRN-GFCCVEGCSA-N 1 1 355.822 2.292 20 5 FEBDMO CCC[N@H+]1CC[C@H](NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598343372 673561515 /nfs/dbraw/zinc/56/15/15/673561515.db2.gz WHVXTYWIZZZHLX-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598600041 673588372 /nfs/dbraw/zinc/58/83/72/673588372.db2.gz BVFHENNJFAOAON-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598600041 673588373 /nfs/dbraw/zinc/58/83/73/673588373.db2.gz BVFHENNJFAOAON-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000598600597 673588383 /nfs/dbraw/zinc/58/83/83/673588383.db2.gz VDDVPRIPIZFCIP-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000543208298 673632623 /nfs/dbraw/zinc/63/26/23/673632623.db2.gz SJBJYCRBKXHCEI-GDBMZVCRSA-N 1 1 369.487 2.173 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599542822 673689777 /nfs/dbraw/zinc/68/97/77/673689777.db2.gz DOKTTXGSFHBNIB-HNNXBMFYSA-N 1 1 350.415 2.227 20 5 FEBDMO Cc1nn(C)c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000544265175 673701547 /nfs/dbraw/zinc/70/15/47/673701547.db2.gz FGPUESNSBXKICK-UHFFFAOYSA-N 1 1 364.431 2.112 20 5 FEBDMO Cc1nn(C)c(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000544265175 673701548 /nfs/dbraw/zinc/70/15/48/673701548.db2.gz FGPUESNSBXKICK-UHFFFAOYSA-N 1 1 364.431 2.112 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(CCCF)CC1 ZINC000599671199 673704578 /nfs/dbraw/zinc/70/45/78/673704578.db2.gz OJDUHFZESFDFGO-UHFFFAOYSA-N 1 1 352.410 2.209 20 5 FEBDMO CCC(O)(CC)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000599673157 673705003 /nfs/dbraw/zinc/70/50/03/673705003.db2.gz LQIIWJQRUIYEPF-UHFFFAOYSA-N 1 1 353.419 2.415 20 5 FEBDMO C[C@@H]1CCC[N@@H+]1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000742427512 673727656 /nfs/dbraw/zinc/72/76/56/673727656.db2.gz LNOMPRVCKPOZMP-SNVBAGLBSA-N 1 1 363.386 2.487 20 5 FEBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000742427512 673727658 /nfs/dbraw/zinc/72/76/58/673727658.db2.gz LNOMPRVCKPOZMP-SNVBAGLBSA-N 1 1 363.386 2.487 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000600213989 673749615 /nfs/dbraw/zinc/74/96/15/673749615.db2.gz SKUUIMCLIMSXCK-HNNXBMFYSA-N 1 1 369.487 2.479 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000600469850 673772097 /nfs/dbraw/zinc/77/20/97/673772097.db2.gz LKKMKQYRKWSCCD-LBPRGKRZSA-N 1 1 351.378 2.489 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)S(C)(=O)=O ZINC000566646370 675231334 /nfs/dbraw/zinc/23/13/34/675231334.db2.gz JCINLOONLPTBLO-AJHXJQRKSA-N 1 1 367.471 2.211 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782961 675322034 /nfs/dbraw/zinc/32/20/34/675322034.db2.gz HQUYMEPXTAGXOE-DGCLKSJQSA-N 1 1 353.444 2.061 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000567782961 675322037 /nfs/dbraw/zinc/32/20/37/675322037.db2.gz HQUYMEPXTAGXOE-DGCLKSJQSA-N 1 1 353.444 2.061 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000823025182 675524066 /nfs/dbraw/zinc/52/40/66/675524066.db2.gz MTNWEJNEGAYCKO-JTQLQIEISA-N 1 1 354.382 2.152 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000825480875 675655382 /nfs/dbraw/zinc/65/53/82/675655382.db2.gz AGADFVSELGCZKP-NEPJUHHUSA-N 1 1 350.394 2.157 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825708339 675665030 /nfs/dbraw/zinc/66/50/30/675665030.db2.gz FUBLMTJDHBKOTJ-LBPRGKRZSA-N 1 1 355.822 2.397 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NCCCN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000827580620 675766269 /nfs/dbraw/zinc/76/62/69/675766269.db2.gz UYGUYBBTRKZDSF-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NCCC[N@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000827580620 675766270 /nfs/dbraw/zinc/76/62/70/675766270.db2.gz UYGUYBBTRKZDSF-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)cc1[N+](=O)[O-] ZINC000827580620 675766271 /nfs/dbraw/zinc/76/62/71/675766271.db2.gz UYGUYBBTRKZDSF-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C[C@H]1C ZINC000827660827 675771170 /nfs/dbraw/zinc/77/11/70/675771170.db2.gz BCRGUAQRJOEZOJ-CHWSQXEVSA-N 1 1 355.460 2.307 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@]2(CCSC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000829261533 675872590 /nfs/dbraw/zinc/87/25/90/675872590.db2.gz MEDJMBSSDGMPDT-MRXNPFEDSA-N 1 1 369.418 2.270 20 5 FEBDMO CCc1[nH]nc(C(=O)N(CC(C)C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000829573135 675883773 /nfs/dbraw/zinc/88/37/73/675883773.db2.gz LFLBONUTZCMSNH-UHFFFAOYSA-N 1 1 351.451 2.320 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000619479250 676379572 /nfs/dbraw/zinc/37/95/72/676379572.db2.gz LIMCITWNJYGHIZ-UHFFFAOYSA-N 1 1 371.459 2.146 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=S)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000761546243 680726580 /nfs/dbraw/zinc/72/65/80/680726580.db2.gz DESGUYOLJWLOOV-ZDUSSCGKSA-N 1 1 352.460 2.382 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839571258 680762786 /nfs/dbraw/zinc/76/27/86/680762786.db2.gz MUGQAMMZDLZSPR-LLVKDONJSA-N 1 1 368.821 2.128 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839592260 680764460 /nfs/dbraw/zinc/76/44/60/680764460.db2.gz PYZJKMCRZCTBRQ-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839634850 680768367 /nfs/dbraw/zinc/76/83/67/680768367.db2.gz FDENNHONAAZLBI-NSHDSACASA-N 1 1 356.220 2.267 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839634850 680768368 /nfs/dbraw/zinc/76/83/68/680768368.db2.gz FDENNHONAAZLBI-NSHDSACASA-N 1 1 356.220 2.267 20 5 FEBDMO CC(C)Oc1cc(C(=O)OCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000840648207 680835438 /nfs/dbraw/zinc/83/54/38/680835438.db2.gz GOGGIFAYLQCBCG-UHFFFAOYSA-N 1 1 352.387 2.261 20 5 FEBDMO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832285723 680120057 /nfs/dbraw/zinc/12/00/57/680120057.db2.gz WOZQMLUQWYZHNO-IUODEOHRSA-N 1 1 361.364 2.444 20 5 FEBDMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832285723 680120058 /nfs/dbraw/zinc/12/00/58/680120058.db2.gz WOZQMLUQWYZHNO-IUODEOHRSA-N 1 1 361.364 2.444 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1Br ZINC000750885092 680137920 /nfs/dbraw/zinc/13/79/20/680137920.db2.gz ZVVQPEMDVKYKLO-UHFFFAOYSA-N 1 1 373.203 2.236 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCCc1ccsc1)C2 ZINC000981765289 680250662 /nfs/dbraw/zinc/25/06/62/680250662.db2.gz YJJZUVOZFAGKLH-HZPDHXFCSA-N 1 1 363.483 2.270 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](CCCc1ccsc1)C2 ZINC000981765289 680250663 /nfs/dbraw/zinc/25/06/63/680250663.db2.gz YJJZUVOZFAGKLH-HZPDHXFCSA-N 1 1 363.483 2.270 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](CCCc1ccsc1)C2 ZINC000981765289 680250664 /nfs/dbraw/zinc/25/06/64/680250664.db2.gz YJJZUVOZFAGKLH-HZPDHXFCSA-N 1 1 363.483 2.270 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000997772630 680365865 /nfs/dbraw/zinc/36/58/65/680365865.db2.gz POEXPGRSVSLSMP-CZUORRHYSA-N 1 1 369.824 2.473 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](CC=C(Cl)Cl)C2)CC1 ZINC001035186901 680443449 /nfs/dbraw/zinc/44/34/49/680443449.db2.gz KOKWEFNCPDNLDG-VXGBXAGGSA-N 1 1 362.257 2.285 20 5 FEBDMO C[N@@H+](Cc1cc(O)ccc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430235 680447160 /nfs/dbraw/zinc/44/71/60/680447160.db2.gz ASKYMJWSCYUVQI-GDBMZVCRSA-N 1 1 367.833 2.134 20 5 FEBDMO C[N@@H+](CCc1ccccc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985433983 680447785 /nfs/dbraw/zinc/44/77/85/680447785.db2.gz OYYICMJFXUHLMZ-NVXWUHKLSA-N 1 1 365.861 2.471 20 5 FEBDMO C[N@H+](CCc1ccccc1Cl)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985433983 680447786 /nfs/dbraw/zinc/44/77/86/680447786.db2.gz OYYICMJFXUHLMZ-NVXWUHKLSA-N 1 1 365.861 2.471 20 5 FEBDMO C[N@@H+](CCc1ccccc1Cl)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985433983 680447787 /nfs/dbraw/zinc/44/77/87/680447787.db2.gz OYYICMJFXUHLMZ-NVXWUHKLSA-N 1 1 365.861 2.471 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C[NH+](CCCc3ccsc3)C2)CC1 ZINC001035704233 680450966 /nfs/dbraw/zinc/45/09/66/680450966.db2.gz HAPWJSMSXDHWSW-HZPDHXFCSA-N 1 1 363.483 2.270 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836373835 680459918 /nfs/dbraw/zinc/45/99/18/680459918.db2.gz GTQNMZPRZUSLOF-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1Cl ZINC000836783294 680513387 /nfs/dbraw/zinc/51/33/87/680513387.db2.gz FUAAMEGYDWSFOO-LBPRGKRZSA-N 1 1 369.849 2.474 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cc1Cl ZINC000836783294 680513390 /nfs/dbraw/zinc/51/33/90/680513390.db2.gz FUAAMEGYDWSFOO-LBPRGKRZSA-N 1 1 369.849 2.474 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766247736 680871611 /nfs/dbraw/zinc/87/16/11/680871611.db2.gz IIGCYTMKCRQNSR-MNOVXSKESA-N 1 1 350.375 2.366 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766247736 680871612 /nfs/dbraw/zinc/87/16/12/680871612.db2.gz IIGCYTMKCRQNSR-MNOVXSKESA-N 1 1 350.375 2.366 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000767462277 680912738 /nfs/dbraw/zinc/91/27/38/680912738.db2.gz PNYPLSPXAXKOEL-INIZCTEOSA-N 1 1 366.849 2.162 20 5 FEBDMO COCC(COC)[NH+]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845566302 681138143 /nfs/dbraw/zinc/13/81/43/681138143.db2.gz MFKHVVHTAGEFGI-UHFFFAOYSA-N 1 1 361.801 2.171 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 ZINC000932353183 681232961 /nfs/dbraw/zinc/23/29/61/681232961.db2.gz XIXHGNDFWRFFIX-UHFFFAOYSA-N 1 1 371.235 2.107 20 5 FEBDMO C[C@]1(Cc2cccs2)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000932928616 681330071 /nfs/dbraw/zinc/33/00/71/681330071.db2.gz PRSCDATVXWBKLG-GDBMZVCRSA-N 1 1 350.444 2.311 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000933173699 681371669 /nfs/dbraw/zinc/37/16/69/681371669.db2.gz OVEVUTNRQUJJCU-CHWSQXEVSA-N 1 1 352.387 2.256 20 5 FEBDMO CCc1cnc(N2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000776278828 681378916 /nfs/dbraw/zinc/37/89/16/681378916.db2.gz USHAALCSMVNXEY-INIZCTEOSA-N 1 1 362.455 2.469 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)OC ZINC000850445392 681902986 /nfs/dbraw/zinc/90/29/86/681902986.db2.gz CKYYRFJKSFTTKC-RISCZKNCSA-N 1 1 371.459 2.396 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914325498 685503993 /nfs/dbraw/zinc/50/39/93/685503993.db2.gz LSRBVQFOKJJBTN-CVEARBPZSA-N 1 1 364.471 2.016 20 5 FEBDMO CCOc1cc(OS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)ccc1[N+](=O)[O-] ZINC000914428618 685507806 /nfs/dbraw/zinc/50/78/06/685507806.db2.gz VKNIWHXOVPMNNG-INIZCTEOSA-N 1 1 370.427 2.188 20 5 FEBDMO COCC[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@@H]1CCOC1 ZINC000782963569 682098988 /nfs/dbraw/zinc/09/89/88/682098988.db2.gz QTVSBQVJSFOJRM-GFCCVEGCSA-N 1 1 354.794 2.293 20 5 FEBDMO COCC[N@@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)[C@@H]1CCOC1 ZINC000782963569 682098991 /nfs/dbraw/zinc/09/89/91/682098991.db2.gz QTVSBQVJSFOJRM-GFCCVEGCSA-N 1 1 354.794 2.293 20 5 FEBDMO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000852104349 682219795 /nfs/dbraw/zinc/21/97/95/682219795.db2.gz HWJVIFCGGNXBBN-ZDUSSCGKSA-N 1 1 357.382 2.051 20 5 FEBDMO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000852104349 682219798 /nfs/dbraw/zinc/21/97/98/682219798.db2.gz HWJVIFCGGNXBBN-ZDUSSCGKSA-N 1 1 357.382 2.051 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000784965728 682263993 /nfs/dbraw/zinc/26/39/93/682263993.db2.gz MMNVPMMGACFUBL-WDEREUQCSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000784965728 682263996 /nfs/dbraw/zinc/26/39/96/682263996.db2.gz MMNVPMMGACFUBL-WDEREUQCSA-N 1 1 368.821 2.128 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC(C[NH+]3CCOCC3)C2)c(Br)c1 ZINC000853640354 682450851 /nfs/dbraw/zinc/45/08/51/682450851.db2.gz BUJVDXSBTLIKDG-UHFFFAOYSA-N 1 1 356.220 2.126 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCC[NH+]2CCCC2)c1 ZINC000795775574 683090706 /nfs/dbraw/zinc/09/07/06/683090706.db2.gz NGFQSAMQOVEXMN-UHFFFAOYSA-N 1 1 365.814 2.152 20 5 FEBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000861339749 683391094 /nfs/dbraw/zinc/39/10/94/683391094.db2.gz BYMCWVNKKMKPIP-CZUORRHYSA-N 1 1 354.428 2.339 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455801 683455383 /nfs/dbraw/zinc/45/53/83/683455383.db2.gz UKMFVGGJMKPOCH-PSASIEDQSA-N 1 1 359.329 2.027 20 5 FEBDMO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000922160616 683672044 /nfs/dbraw/zinc/67/20/44/683672044.db2.gz XATQHEWEYNWNHZ-VIFPVBQESA-N 1 1 360.183 2.320 20 5 FEBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000922160616 683672045 /nfs/dbraw/zinc/67/20/45/683672045.db2.gz XATQHEWEYNWNHZ-VIFPVBQESA-N 1 1 360.183 2.320 20 5 FEBDMO COc1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000930768802 683781854 /nfs/dbraw/zinc/78/18/54/683781854.db2.gz JYZPQANCYJFJIX-OCCSQVGLSA-N 1 1 366.443 2.305 20 5 FEBDMO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+]2C)cc(Br)cc1[N+](=O)[O-] ZINC000931251664 684249172 /nfs/dbraw/zinc/24/91/72/684249172.db2.gz WEQOZEYJMQDBNW-JTQLQIEISA-N 1 1 357.208 2.491 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000877514310 686396942 /nfs/dbraw/zinc/39/69/42/686396942.db2.gz JEISYLARYRXEFH-HNNXBMFYSA-N 1 1 369.487 2.315 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877791959 686463073 /nfs/dbraw/zinc/46/30/73/686463073.db2.gz LFJDNDVRQVNKMG-VFGVELGVSA-N 1 1 350.440 2.365 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000877791959 686463077 /nfs/dbraw/zinc/46/30/77/686463077.db2.gz LFJDNDVRQVNKMG-VFGVELGVSA-N 1 1 350.440 2.365 20 5 FEBDMO COCCN(Cc1cc([N+](=O)[O-])ccc1OC)CC1CC[NH+](C)CC1 ZINC000879123202 686746127 /nfs/dbraw/zinc/74/61/27/686746127.db2.gz SKVHNMVDNZJQDG-UHFFFAOYSA-N 1 1 351.447 2.394 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000879575950 686861466 /nfs/dbraw/zinc/86/14/66/686861466.db2.gz PCTPZLBCJBIURA-SMDDNHRTSA-N 1 1 352.822 2.213 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000880502346 687054901 /nfs/dbraw/zinc/05/49/01/687054901.db2.gz JDYXZQXYSSQXIM-HUUCEWRRSA-N 1 1 367.833 2.477 20 5 FEBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000880502347 687055042 /nfs/dbraw/zinc/05/50/42/687055042.db2.gz JDYXZQXYSSQXIM-LSDHHAIUSA-N 1 1 367.833 2.477 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884953477 687973570 /nfs/dbraw/zinc/97/35/70/687973570.db2.gz ZJNODITXSJTOOC-RYUDHWBXSA-N 1 1 373.862 2.462 20 5 FEBDMO CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886411384 688248389 /nfs/dbraw/zinc/24/83/89/688248389.db2.gz UEZJVUZGODDAMQ-CYBMUJFWSA-N 1 1 353.423 2.160 20 5 FEBDMO CC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886411384 688248392 /nfs/dbraw/zinc/24/83/92/688248392.db2.gz UEZJVUZGODDAMQ-CYBMUJFWSA-N 1 1 353.423 2.160 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000888283670 688577248 /nfs/dbraw/zinc/57/72/48/688577248.db2.gz XBCIDGBZOSAYHZ-RYUDHWBXSA-N 1 1 370.837 2.475 20 5 FEBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1C[N@@H+](C)CCN1C ZINC000895245009 689683216 /nfs/dbraw/zinc/68/32/16/689683216.db2.gz CEOGJAFPJWHCFT-HZMBPMFUSA-N 1 1 357.252 2.404 20 5 FEBDMO CC(C)Oc1nc(NC[C@H]2CC[N@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896523940 689885257 /nfs/dbraw/zinc/88/52/57/689885257.db2.gz CAVKBQUUTIZXLF-CQSZACIVSA-N 1 1 350.419 2.442 20 5 FEBDMO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000900693639 690549175 /nfs/dbraw/zinc/54/91/75/690549175.db2.gz YZXSKCGJSVEOLQ-NSHDSACASA-N 1 1 372.828 2.001 20 5 FEBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000902541572 690776587 /nfs/dbraw/zinc/77/65/87/690776587.db2.gz HAEAVVFLWBEKDI-LLVKDONJSA-N 1 1 360.256 2.173 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000906458559 691271723 /nfs/dbraw/zinc/27/17/23/691271723.db2.gz GQYUSJLTQICUNX-LSDHHAIUSA-N 1 1 367.833 2.160 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)C(C)C ZINC000906682917 691301435 /nfs/dbraw/zinc/30/14/35/691301435.db2.gz WGVOMGUROGUBGJ-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO Nc1c(Cl)cc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000907792059 691561366 /nfs/dbraw/zinc/56/13/66/691561366.db2.gz COVYYIUPJGYWNA-VXGBXAGGSA-N 1 1 356.785 2.089 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000908524718 691693336 /nfs/dbraw/zinc/69/33/36/691693336.db2.gz BORAMTVKDHTREK-HNNXBMFYSA-N 1 1 369.849 2.144 20 5 FEBDMO Cc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164869242 721049323 /nfs/dbraw/zinc/04/93/23/721049323.db2.gz SRCUHQUYAKTOGJ-IRXDYDNUSA-N 1 1 369.425 2.173 20 5 FEBDMO Cc1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164869397 721049359 /nfs/dbraw/zinc/04/93/59/721049359.db2.gz SRCUHQUYAKTOGJ-SJORKVTESA-N 1 1 369.425 2.173 20 5 FEBDMO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164911992 721529348 /nfs/dbraw/zinc/52/93/48/721529348.db2.gz XYRUOKZXGBTCGO-HOCLYGCPSA-N 1 1 373.388 2.174 20 5 FEBDMO CNc1nccc(C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000519831087 819080324 /nfs/dbraw/zinc/08/03/24/819080324.db2.gz BMXQLLSZYCMNJA-UHFFFAOYSA-N 1 1 361.402 2.219 20 5 FEBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000549162727 674020569 /nfs/dbraw/zinc/02/05/69/674020569.db2.gz RVWCEFUNRIBXMT-NSHDSACASA-N 1 1 353.375 2.253 20 5 FEBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000026198121 539780324 /nfs/dbraw/zinc/78/03/24/539780324.db2.gz FABFULOAQBMFGP-STQMWFEESA-N 1 1 351.403 2.431 20 5 FEBDMO O=C(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)Nc1ccccc1F ZINC000026597518 539790469 /nfs/dbraw/zinc/79/04/69/539790469.db2.gz LTIUXDYAYTVRRT-UHFFFAOYSA-N 1 1 373.388 2.280 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@H+]1CCc2ccccc2C1 ZINC000031337874 539905744 /nfs/dbraw/zinc/90/57/44/539905744.db2.gz WQEKSVBARBQEIC-UHFFFAOYSA-N 1 1 355.394 2.148 20 5 FEBDMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)Nc1cccc([N+](=O)[O-])c1 ZINC000031663618 539914957 /nfs/dbraw/zinc/91/49/57/539914957.db2.gz IBSPBWYMDRIFPI-GOSISDBHSA-N 1 1 370.409 2.136 20 5 FEBDMO CCOc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268422 539932314 /nfs/dbraw/zinc/93/23/14/539932314.db2.gz PJWSNPKABMOMIC-HNNXBMFYSA-N 1 1 365.430 2.080 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000032482373 539940871 /nfs/dbraw/zinc/94/08/71/539940871.db2.gz DLIJPWFHSXVJRZ-MRXNPFEDSA-N 1 1 369.381 2.406 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)[NH+]1CCOCC1 ZINC000041871328 540037334 /nfs/dbraw/zinc/03/73/34/540037334.db2.gz PNPNDQCRSVWEMV-KRWDZBQOSA-N 1 1 360.414 2.163 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000044572242 540130962 /nfs/dbraw/zinc/13/09/62/540130962.db2.gz QCBUZOVJXKLLOA-MRXNPFEDSA-N 1 1 360.458 2.412 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000044572245 540131129 /nfs/dbraw/zinc/13/11/29/540131129.db2.gz QCBUZOVJXKLLOA-INIZCTEOSA-N 1 1 360.458 2.412 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000045465113 540214586 /nfs/dbraw/zinc/21/45/86/540214586.db2.gz DUJCZOOEGKRUMU-ZDUSSCGKSA-N 1 1 354.410 2.475 20 5 FEBDMO Nc1c(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc(F)cc1[N+](=O)[O-] ZINC000048321555 540357157 /nfs/dbraw/zinc/35/71/57/540357157.db2.gz BGTFOWIMCANWBO-UHFFFAOYSA-N 1 1 372.400 2.494 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000050995656 540418290 /nfs/dbraw/zinc/41/82/90/540418290.db2.gz XTJFSYACTOYKFX-CQSZACIVSA-N 1 1 373.413 2.383 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000050995656 540418292 /nfs/dbraw/zinc/41/82/92/540418292.db2.gz XTJFSYACTOYKFX-CQSZACIVSA-N 1 1 373.413 2.383 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000053187720 540516265 /nfs/dbraw/zinc/51/62/65/540516265.db2.gz UWORACMZYWXLAQ-OAHLLOKOSA-N 1 1 371.441 2.482 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000053699296 540549892 /nfs/dbraw/zinc/54/98/92/540549892.db2.gz HFIMPOFGPUNHSM-ZDUSSCGKSA-N 1 1 355.460 2.384 20 5 FEBDMO Cc1noc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054676256 540601782 /nfs/dbraw/zinc/60/17/82/540601782.db2.gz XXJBJYZCUCXBLH-ZDUSSCGKSA-N 1 1 359.386 2.494 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000066483800 541325489 /nfs/dbraw/zinc/32/54/89/541325489.db2.gz ANRVSUBKIVAOQN-FCEWJHQRSA-N 1 1 365.474 2.275 20 5 FEBDMO O=C([C@@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-])N1CCSCC1 ZINC000067117684 541419422 /nfs/dbraw/zinc/41/94/22/541419422.db2.gz XEAXXMGWHJEBNJ-HNNXBMFYSA-N 1 1 365.455 2.013 20 5 FEBDMO O=C([C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-])N1CCSCC1 ZINC000067117684 541419426 /nfs/dbraw/zinc/41/94/26/541419426.db2.gz XEAXXMGWHJEBNJ-HNNXBMFYSA-N 1 1 365.455 2.013 20 5 FEBDMO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067414251 541459913 /nfs/dbraw/zinc/45/99/13/541459913.db2.gz CIJPQYKGKGXPQO-DZGCQCFKSA-N 1 1 362.430 2.078 20 5 FEBDMO CC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000067414251 541459915 /nfs/dbraw/zinc/45/99/15/541459915.db2.gz CIJPQYKGKGXPQO-DZGCQCFKSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069428185 541685765 /nfs/dbraw/zinc/68/57/65/541685765.db2.gz CEZZMGLRLPKEQZ-ZDUSSCGKSA-N 1 1 361.402 2.114 20 5 FEBDMO CCS(=O)(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072629940 541841045 /nfs/dbraw/zinc/84/10/45/541841045.db2.gz NCOMATSNFBODQH-CYBMUJFWSA-N 1 1 355.460 2.402 20 5 FEBDMO CC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858742 541883126 /nfs/dbraw/zinc/88/31/26/541883126.db2.gz NKJMJJCDBPWUSB-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072858742 541883132 /nfs/dbraw/zinc/88/31/32/541883132.db2.gz NKJMJJCDBPWUSB-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000074772698 542120468 /nfs/dbraw/zinc/12/04/68/542120468.db2.gz PHQROJPXJVTRFQ-CQSZACIVSA-N 1 1 367.471 2.166 20 5 FEBDMO C[N@@H+](CCc1cccc2ccccc21)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075679982 542197619 /nfs/dbraw/zinc/19/76/19/542197619.db2.gz JVOBSXRUVSPBNQ-SFHVURJKSA-N 1 1 354.410 2.480 20 5 FEBDMO CCC[NH+]1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000075721286 542201870 /nfs/dbraw/zinc/20/18/70/542201870.db2.gz YBNFZSYMIKZYEG-UHFFFAOYSA-N 1 1 367.471 2.391 20 5 FEBDMO Cc1ccc(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000076329576 542261236 /nfs/dbraw/zinc/26/12/36/542261236.db2.gz XGHOROSHALVWRC-OAHLLOKOSA-N 1 1 350.419 2.262 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000076387754 542271841 /nfs/dbraw/zinc/27/18/41/542271841.db2.gz URIDSAJLNPTBET-HNNXBMFYSA-N 1 1 371.441 2.223 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000076408255 542275463 /nfs/dbraw/zinc/27/54/63/542275463.db2.gz ATUWWGUHSOSBHT-NWDGAFQWSA-N 1 1 359.835 2.153 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000076480199 542283035 /nfs/dbraw/zinc/28/30/35/542283035.db2.gz CBNLUQDSGDXNQL-DOMZBBRYSA-N 1 1 353.394 2.301 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078208663 542448306 /nfs/dbraw/zinc/44/83/06/542448306.db2.gz AFYUJROKACDGMF-ARFHVFGLSA-N 1 1 359.426 2.306 20 5 FEBDMO C[C@@](O)(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000078343435 542456361 /nfs/dbraw/zinc/45/63/61/542456361.db2.gz XXGHKMJKKNOYED-CQSZACIVSA-N 1 1 363.336 2.109 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000079888862 542547552 /nfs/dbraw/zinc/54/75/52/542547552.db2.gz KHVPQOLCVJYTIY-YOEHRIQHSA-N 1 1 364.446 2.312 20 5 FEBDMO CCOc1cc(C(=O)NCCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000080390347 542587652 /nfs/dbraw/zinc/58/76/52/542587652.db2.gz FODTXBDASHCZTD-UHFFFAOYSA-N 1 1 362.386 2.327 20 5 FEBDMO COc1ccc(-c2ccc(C[N@H+]3CCCN(C(N)=O)CC3)o2)c([N+](=O)[O-])c1 ZINC000092754166 542884859 /nfs/dbraw/zinc/88/48/59/542884859.db2.gz SOEHEUQVFDKXCH-UHFFFAOYSA-N 1 1 374.397 2.450 20 5 FEBDMO Cn1cc(C[N@H+](CCO)Cc2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093085644 542908069 /nfs/dbraw/zinc/90/80/69/542908069.db2.gz YVAFOMAOYQHJKK-UHFFFAOYSA-N 1 1 367.409 2.385 20 5 FEBDMO Cn1cc(C[N@@H+](CCO)Cc2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093085644 542908072 /nfs/dbraw/zinc/90/80/72/542908072.db2.gz YVAFOMAOYQHJKK-UHFFFAOYSA-N 1 1 367.409 2.385 20 5 FEBDMO C[N@@H+](CCN1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1)Cc1ccccc1 ZINC000104437466 543131410 /nfs/dbraw/zinc/13/14/10/543131410.db2.gz VLWFAJJPXNXKON-UHFFFAOYSA-N 1 1 372.425 2.078 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000109848812 543341791 /nfs/dbraw/zinc/34/17/91/543341791.db2.gz DJBIMYJGBQFRHP-NSHDSACASA-N 1 1 374.363 2.484 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111292375 543392759 /nfs/dbraw/zinc/39/27/59/543392759.db2.gz WINOFJAFWBJZCI-MRXNPFEDSA-N 1 1 374.441 2.319 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111614767 543408527 /nfs/dbraw/zinc/40/85/27/543408527.db2.gz ZTHKRPUFZUAUHG-GFCCVEGCSA-N 1 1 370.409 2.183 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115273267 543557884 /nfs/dbraw/zinc/55/78/84/543557884.db2.gz KIUBCFPDLUNXBZ-NVXWUHKLSA-N 1 1 363.458 2.391 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118113714 543645880 /nfs/dbraw/zinc/64/58/80/543645880.db2.gz OQBWTMBRQRSMCG-MRXNPFEDSA-N 1 1 362.430 2.304 20 5 FEBDMO COCCCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000122560749 543710650 /nfs/dbraw/zinc/71/06/50/543710650.db2.gz ZNZCXGVQUDRKIO-AWEZNQCLSA-N 1 1 365.430 2.439 20 5 FEBDMO Cn1cc(C[N@@H+](C)[C@H]2CCCCNC2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000123826194 543785379 /nfs/dbraw/zinc/78/53/79/543785379.db2.gz CRMTVMMCCIFEFW-INIZCTEOSA-N 1 1 357.414 2.096 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000125631163 543893087 /nfs/dbraw/zinc/89/30/87/543893087.db2.gz GOBOPMAMEGICQG-NEPJUHHUSA-N 1 1 359.473 2.070 20 5 FEBDMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000127227688 543979937 /nfs/dbraw/zinc/97/99/37/543979937.db2.gz PIQFIJPDFBUBGT-CVEARBPZSA-N 1 1 373.384 2.099 20 5 FEBDMO CC(C)[C@H](CNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1 ZINC000128249030 544041276 /nfs/dbraw/zinc/04/12/76/544041276.db2.gz SCSGPUQKELONOZ-SFHVURJKSA-N 1 1 374.441 2.092 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128932608 544080921 /nfs/dbraw/zinc/08/09/21/544080921.db2.gz NHNUHWQASSFRAD-LBPRGKRZSA-N 1 1 367.377 2.338 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccs1 ZINC000129962020 544133286 /nfs/dbraw/zinc/13/32/86/544133286.db2.gz AHQDDULAWOOVJR-BLLLJJGKSA-N 1 1 363.443 2.052 20 5 FEBDMO O=c1n2ccccc2nn1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130198256 544142633 /nfs/dbraw/zinc/14/26/33/544142633.db2.gz GCFSALBIBSAFQO-UHFFFAOYSA-N 1 1 353.382 2.069 20 5 FEBDMO O=c1n2ccccc2nn1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130198256 544142636 /nfs/dbraw/zinc/14/26/36/544142636.db2.gz GCFSALBIBSAFQO-UHFFFAOYSA-N 1 1 353.382 2.069 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000130216246 544143659 /nfs/dbraw/zinc/14/36/59/544143659.db2.gz HPKLGYBZJFGIAO-UHFFFAOYSA-N 1 1 353.448 2.099 20 5 FEBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000130673071 544160573 /nfs/dbraw/zinc/16/05/73/544160573.db2.gz GMGYRZFJWKAHOG-UHFFFAOYSA-N 1 1 357.414 2.099 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000133030560 544252896 /nfs/dbraw/zinc/25/28/96/544252896.db2.gz BFSAPRWYPLPNFN-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000135475703 544348966 /nfs/dbraw/zinc/34/89/66/544348966.db2.gz LJUCJCYOFUUWBO-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000146621471 544440442 /nfs/dbraw/zinc/44/04/42/544440442.db2.gz IQLFBZROOSRCJI-GFCCVEGCSA-N 1 1 373.862 2.415 20 5 FEBDMO C[C@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000150876680 544481880 /nfs/dbraw/zinc/48/18/80/544481880.db2.gz DJZMFJKRPYZLMY-ZFWWWQNUSA-N 1 1 356.430 2.456 20 5 FEBDMO CCC[C@H]1C(=O)NCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000152455551 544655528 /nfs/dbraw/zinc/65/55/28/544655528.db2.gz MBYFUVWLQOXWGU-HNNXBMFYSA-N 1 1 358.398 2.393 20 5 FEBDMO CCC[C@H]1C(=O)NCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000152455551 544655532 /nfs/dbraw/zinc/65/55/32/544655532.db2.gz MBYFUVWLQOXWGU-HNNXBMFYSA-N 1 1 358.398 2.393 20 5 FEBDMO Cc1nn(CCC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c(C)c1[N+](=O)[O-] ZINC000152513634 544664288 /nfs/dbraw/zinc/66/42/88/544664288.db2.gz HOXYZIOUMPELKG-ZDUSSCGKSA-N 1 1 363.462 2.274 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000153047839 544727391 /nfs/dbraw/zinc/72/73/91/544727391.db2.gz PCRFFJRSWLJBGQ-AVGNSLFASA-N 1 1 351.403 2.166 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000153047839 544727393 /nfs/dbraw/zinc/72/73/93/544727393.db2.gz PCRFFJRSWLJBGQ-AVGNSLFASA-N 1 1 351.403 2.166 20 5 FEBDMO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153674045 544806755 /nfs/dbraw/zinc/80/67/55/544806755.db2.gz DLZYZZWKQQRBMN-LSDHHAIUSA-N 1 1 350.463 2.280 20 5 FEBDMO COC(=O)[C@@H](C)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000153722446 544813800 /nfs/dbraw/zinc/81/38/00/544813800.db2.gz OPTATSJOXZDPKB-JTQLQIEISA-N 1 1 369.805 2.460 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000153722446 544813803 /nfs/dbraw/zinc/81/38/03/544813803.db2.gz OPTATSJOXZDPKB-JTQLQIEISA-N 1 1 369.805 2.460 20 5 FEBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000154534400 544918784 /nfs/dbraw/zinc/91/87/84/544918784.db2.gz OVSSXBLCFOSDPE-QZTJIDSGSA-N 1 1 355.394 2.366 20 5 FEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000154534400 544918787 /nfs/dbraw/zinc/91/87/87/544918787.db2.gz OVSSXBLCFOSDPE-QZTJIDSGSA-N 1 1 355.394 2.366 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C[C@@H]1C ZINC000553415371 674259934 /nfs/dbraw/zinc/25/99/34/674259934.db2.gz GJZFWPKMDRLXDS-QWHCGFSZSA-N 1 1 350.419 2.394 20 5 FEBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000188176384 328071315 /nfs/dbraw/zinc/07/13/15/328071315.db2.gz CQTSCKZNQVRPNS-HXUWFJFHSA-N 1 1 369.421 2.304 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H](O)C(F)(F)F ZINC000189536127 328153485 /nfs/dbraw/zinc/15/34/85/328153485.db2.gz STFHFGXEMPLKEH-CYBMUJFWSA-N 1 1 363.336 2.477 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000191086323 328249375 /nfs/dbraw/zinc/24/93/75/328249375.db2.gz HBUIOPGRXUHRHW-UHFFFAOYSA-N 1 1 359.835 2.025 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000191783541 328281679 /nfs/dbraw/zinc/28/16/79/328281679.db2.gz CWSCIDOLBUHJBY-BETUJISGSA-N 1 1 351.451 2.298 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@H]2C1 ZINC000192477374 328321213 /nfs/dbraw/zinc/32/12/13/328321213.db2.gz OFNIQJQKIPNGCI-GASCZTMLSA-N 1 1 358.442 2.219 20 5 FEBDMO O=C(NCc1ccnc(N2CCCCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193561573 328381920 /nfs/dbraw/zinc/38/19/20/328381920.db2.gz HCXFULFNHJALTK-UHFFFAOYSA-N 1 1 371.397 2.401 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193640413 328387059 /nfs/dbraw/zinc/38/70/59/328387059.db2.gz MDQHPWFJSLBVOY-UTUOFQBUSA-N 1 1 352.822 2.069 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000193794179 328395674 /nfs/dbraw/zinc/39/56/74/328395674.db2.gz OAZGRSUPGNNWND-HNNXBMFYSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH+]1CCOCC1 ZINC000078511722 325049168 /nfs/dbraw/zinc/04/91/68/325049168.db2.gz UEQUJSAETBODGZ-GJZGRUSLSA-N 1 1 364.446 2.012 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000078983279 325069853 /nfs/dbraw/zinc/06/98/53/325069853.db2.gz IJQGYDYFCYRPIX-LLVKDONJSA-N 1 1 361.851 2.401 20 5 FEBDMO COc1cc(C[NH2+]CC(=O)N2CCCc3ccccc32)c([N+](=O)[O-])cc1O ZINC000237365810 328513946 /nfs/dbraw/zinc/51/39/46/328513946.db2.gz AITAAXBAGFUDQO-UHFFFAOYSA-N 1 1 371.393 2.378 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000081360886 325171195 /nfs/dbraw/zinc/17/11/95/325171195.db2.gz WAECEOCYGCKIHB-CYBMUJFWSA-N 1 1 363.414 2.185 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000090464900 325360199 /nfs/dbraw/zinc/36/01/99/325360199.db2.gz AVLOTRGUHSCNMB-HZPDHXFCSA-N 1 1 374.441 2.152 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000090464900 325360202 /nfs/dbraw/zinc/36/02/02/325360202.db2.gz AVLOTRGUHSCNMB-HZPDHXFCSA-N 1 1 374.441 2.152 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000091679926 325389357 /nfs/dbraw/zinc/38/93/57/325389357.db2.gz CKOIVOGCIPBVGV-INIZCTEOSA-N 1 1 361.442 2.314 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118117333 326082961 /nfs/dbraw/zinc/08/29/61/326082961.db2.gz HHXCOILQKLFMIS-JTQLQIEISA-N 1 1 356.810 2.033 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000119785100 326197889 /nfs/dbraw/zinc/19/78/89/326197889.db2.gz FKBZKQZKFSUGDD-GFCCVEGCSA-N 1 1 355.822 2.317 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120380910 326254287 /nfs/dbraw/zinc/25/42/87/326254287.db2.gz FUYIDDVCXORCQY-OLMNPRSZSA-N 1 1 359.426 2.229 20 5 FEBDMO Cn1cc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121443303 326339318 /nfs/dbraw/zinc/33/93/18/326339318.db2.gz BPXKIEODINMZCF-KRWDZBQOSA-N 1 1 369.425 2.238 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121443303 326339321 /nfs/dbraw/zinc/33/93/21/326339321.db2.gz BPXKIEODINMZCF-KRWDZBQOSA-N 1 1 369.425 2.238 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000121920693 326375992 /nfs/dbraw/zinc/37/59/92/326375992.db2.gz CGVWECMVGONGSN-UHFFFAOYSA-N 1 1 358.398 2.432 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)NCCc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000126334838 326487227 /nfs/dbraw/zinc/48/72/27/326487227.db2.gz OUNDTLMTWQBIML-UHFFFAOYSA-N 1 1 369.425 2.373 20 5 FEBDMO CCC1(CO)CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000128129781 326518473 /nfs/dbraw/zinc/51/84/73/326518473.db2.gz FRRBZBULRCUFIL-ZDUSSCGKSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)NCc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000137877665 326661839 /nfs/dbraw/zinc/66/18/39/326661839.db2.gz PTSRPIDMRNHAIC-UHFFFAOYSA-N 1 1 355.398 2.330 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000163631073 327055412 /nfs/dbraw/zinc/05/54/12/327055412.db2.gz JRYYPDMRLMUVDA-UHFFFAOYSA-N 1 1 366.443 2.042 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000163961747 327061805 /nfs/dbraw/zinc/06/18/05/327061805.db2.gz CZEKAOYMEGSLCS-OAHLLOKOSA-N 1 1 369.487 2.131 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000165502395 327078389 /nfs/dbraw/zinc/07/83/89/327078389.db2.gz AWHGWZIUXFFMFD-LBPRGKRZSA-N 1 1 363.443 2.032 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171367914 327135059 /nfs/dbraw/zinc/13/50/59/327135059.db2.gz KEGXIRMIFUDKCM-CYBMUJFWSA-N 1 1 361.402 2.430 20 5 FEBDMO CCc1cc(N2CCC[N@@H+](CCO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171681852 327154490 /nfs/dbraw/zinc/15/44/90/327154490.db2.gz PIGXJWKQEZNGOL-UHFFFAOYSA-N 1 1 371.441 2.119 20 5 FEBDMO O=C(c1ccccc1)c1ccc(N2CCC[N@@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000171681975 327154796 /nfs/dbraw/zinc/15/47/96/327154796.db2.gz OFQWQNLLWLCQFO-UHFFFAOYSA-N 1 1 369.421 2.330 20 5 FEBDMO O=C(c1ccccc1)c1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000171681975 327154797 /nfs/dbraw/zinc/15/47/97/327154797.db2.gz OFQWQNLLWLCQFO-UHFFFAOYSA-N 1 1 369.421 2.330 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000171774813 327160810 /nfs/dbraw/zinc/16/08/10/327160810.db2.gz NQIPHLNQFKAHKF-GFCCVEGCSA-N 1 1 357.414 2.057 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)N2CCC[N@H+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000172544427 327207348 /nfs/dbraw/zinc/20/73/48/327207348.db2.gz ISIZJDKDCNVWIW-CYBMUJFWSA-N 1 1 362.430 2.101 20 5 FEBDMO O=C(CN1CCC[N@H+](C2CCCC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172583650 327209879 /nfs/dbraw/zinc/20/98/79/327209879.db2.gz FRUHFRYXFSWDDH-UHFFFAOYSA-N 1 1 372.469 2.434 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172648534 327213305 /nfs/dbraw/zinc/21/33/05/327213305.db2.gz UBNJPXLHRRKTNP-UHFFFAOYSA-N 1 1 374.441 2.319 20 5 FEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000173133915 327236812 /nfs/dbraw/zinc/23/68/12/327236812.db2.gz CKRLVRJCUNGFTA-UHFFFAOYSA-N 1 1 369.421 2.286 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173238456 327243431 /nfs/dbraw/zinc/24/34/31/327243431.db2.gz IWENRHNRMHNGFS-JQWIXIFHSA-N 1 1 361.851 2.209 20 5 FEBDMO COc1ccc(NC(=O)CN(C)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000173644032 327272994 /nfs/dbraw/zinc/27/29/94/327272994.db2.gz IBDRGUQDDNAHPD-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000173670619 327275465 /nfs/dbraw/zinc/27/54/65/327275465.db2.gz WXIOGQMAPNYOHY-CYBMUJFWSA-N 1 1 371.459 2.098 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000173669269 327275502 /nfs/dbraw/zinc/27/55/02/327275502.db2.gz DQRFIPBBYSHHSH-CQSZACIVSA-N 1 1 355.460 2.398 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173669854 327275571 /nfs/dbraw/zinc/27/55/71/327275571.db2.gz GPYRLWGROOCCFE-AWEZNQCLSA-N 1 1 355.460 2.398 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000173792381 327284397 /nfs/dbraw/zinc/28/43/97/327284397.db2.gz HFHXWTLZSXTJQJ-CQSZACIVSA-N 1 1 365.430 2.173 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173952779 327297034 /nfs/dbraw/zinc/29/70/34/327297034.db2.gz ZGKLMPMXYAEECH-AWEZNQCLSA-N 1 1 355.460 2.256 20 5 FEBDMO C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174715886 327345538 /nfs/dbraw/zinc/34/55/38/327345538.db2.gz AKAZAJLJBZTWKO-ZDUSSCGKSA-N 1 1 358.320 2.303 20 5 FEBDMO CC[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000174866522 327356275 /nfs/dbraw/zinc/35/62/75/327356275.db2.gz OFMAKHHVZGHSRE-CYBMUJFWSA-N 1 1 370.413 2.329 20 5 FEBDMO CC[C@@H](C)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000174866522 327356276 /nfs/dbraw/zinc/35/62/76/327356276.db2.gz OFMAKHHVZGHSRE-CYBMUJFWSA-N 1 1 370.413 2.329 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000175115441 327375171 /nfs/dbraw/zinc/37/51/71/327375171.db2.gz RGTNADHUIYQESY-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000175208946 327380061 /nfs/dbraw/zinc/38/00/61/327380061.db2.gz PHXSZQAHEIKMCM-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000176287108 327445929 /nfs/dbraw/zinc/44/59/29/327445929.db2.gz BHMMFSVDWDDAOG-HIFRSBDPSA-N 1 1 364.446 2.232 20 5 FEBDMO Cc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])s3)CC2)nc(C)[nH+]1 ZINC000178174091 327570181 /nfs/dbraw/zinc/57/01/81/327570181.db2.gz HCZXPGGUIYDTEA-UHFFFAOYSA-N 1 1 361.427 2.462 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000264522416 329032534 /nfs/dbraw/zinc/03/25/34/329032534.db2.gz MSGYVFPASYQZKF-VQFGERMISA-N 1 1 372.469 2.237 20 5 FEBDMO CCCC[N@H+](CCOC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264542773 329034179 /nfs/dbraw/zinc/03/41/79/329034179.db2.gz CWUTZYIBZKMLPX-UHFFFAOYSA-N 1 1 353.375 2.011 20 5 FEBDMO CCCC[N@@H+](CCOC)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000264542773 329034181 /nfs/dbraw/zinc/03/41/81/329034181.db2.gz CWUTZYIBZKMLPX-UHFFFAOYSA-N 1 1 353.375 2.011 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000265024544 329084076 /nfs/dbraw/zinc/08/40/76/329084076.db2.gz JGDJAASWZWKBAE-UHFFFAOYSA-N 1 1 373.457 2.080 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265547150 329137732 /nfs/dbraw/zinc/13/77/32/329137732.db2.gz YCCJSZRSVWEXNY-UHFFFAOYSA-N 1 1 359.386 2.145 20 5 FEBDMO COc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc([N+](=O)[O-])c1OC ZINC000265975444 329178290 /nfs/dbraw/zinc/17/82/90/329178290.db2.gz XFKYPUSRSBFUSH-LLVKDONJSA-N 1 1 362.386 2.183 20 5 FEBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986807 329179343 /nfs/dbraw/zinc/17/93/43/329179343.db2.gz KVRHHJQCCWMCBM-WCQYABFASA-N 1 1 351.403 2.024 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266207026 329200604 /nfs/dbraw/zinc/20/06/04/329200604.db2.gz PMTFKOATKGDHED-DGCLKSJQSA-N 1 1 359.423 2.085 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267287609 329310828 /nfs/dbraw/zinc/31/08/28/329310828.db2.gz WWHOUAMAGXRVBV-UHFFFAOYSA-N 1 1 373.251 2.035 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000267369639 329320117 /nfs/dbraw/zinc/32/01/17/329320117.db2.gz FUJMOPOLINRSLX-QAPCUYQASA-N 1 1 371.441 2.208 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000267437877 329327430 /nfs/dbraw/zinc/32/74/30/329327430.db2.gz NXUJMMFVZKACDL-WMLDXEAASA-N 1 1 371.441 2.127 20 5 FEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267947096 329370725 /nfs/dbraw/zinc/37/07/25/329370725.db2.gz USZOBLLVBCGFEI-SECBINFHSA-N 1 1 360.183 2.320 20 5 FEBDMO CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C1=O ZINC000267991307 329374697 /nfs/dbraw/zinc/37/46/97/329374697.db2.gz AJOMXKLJWORMSF-UHFFFAOYSA-N 1 1 358.398 2.345 20 5 FEBDMO CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C(C)(C)C1=O ZINC000267991307 329374698 /nfs/dbraw/zinc/37/46/98/329374698.db2.gz AJOMXKLJWORMSF-UHFFFAOYSA-N 1 1 358.398 2.345 20 5 FEBDMO Cc1nc(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1[N+](=O)[O-] ZINC000268505239 329428193 /nfs/dbraw/zinc/42/81/93/329428193.db2.gz QTJLTXXFPPVKCC-UHFFFAOYSA-N 1 1 369.425 2.298 20 5 FEBDMO COc1ccc(NC(=O)N2CC[NH+](CCOC(C)C)CC2)cc1[N+](=O)[O-] ZINC000272842352 329817063 /nfs/dbraw/zinc/81/70/63/329817063.db2.gz OUKKUMHKJZWSHJ-UHFFFAOYSA-N 1 1 366.418 2.178 20 5 FEBDMO CCc1ccc([C@H](COC)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000273215977 329846118 /nfs/dbraw/zinc/84/61/18/329846118.db2.gz CIAOUECAHLEMNZ-ZFWWWQNUSA-N 1 1 364.398 2.467 20 5 FEBDMO CCc1ncc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000273467561 329867534 /nfs/dbraw/zinc/86/75/34/329867534.db2.gz IOBFVSFJIBSLBF-UHFFFAOYSA-N 1 1 355.441 2.177 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)C2CCOCC2)ccc1Br ZINC000275960514 330106849 /nfs/dbraw/zinc/10/68/49/330106849.db2.gz KMWXNVVNODNLHL-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000369327426 330239646 /nfs/dbraw/zinc/23/96/46/330239646.db2.gz RTZGLAGAUATRRI-INIZCTEOSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369327426 330239647 /nfs/dbraw/zinc/23/96/47/330239647.db2.gz RTZGLAGAUATRRI-INIZCTEOSA-N 1 1 360.458 2.144 20 5 FEBDMO CN(C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C[NH+]1CCOCC1 ZINC000414056567 330258699 /nfs/dbraw/zinc/25/86/99/330258699.db2.gz ZSJLVZFKMGBHSH-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](CCNC(C)=O)C1CCSCC1 ZINC000555071401 674346686 /nfs/dbraw/zinc/34/66/86/674346686.db2.gz QGZUNXDZHXYVOH-UHFFFAOYSA-N 1 1 367.471 2.437 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000247558322 549356157 /nfs/dbraw/zinc/35/61/57/549356157.db2.gz RPDLCFHFOMIBDF-UKRRQHHQSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)CN(C)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000158630558 545879576 /nfs/dbraw/zinc/87/95/76/545879576.db2.gz HYRHJXNFQFBDPP-UHFFFAOYSA-N 1 1 369.425 2.083 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)CCNc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000158688266 545884437 /nfs/dbraw/zinc/88/44/37/545884437.db2.gz DPBPCEWPZMLZMO-UHFFFAOYSA-N 1 1 369.425 2.449 20 5 FEBDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160642997 546059051 /nfs/dbraw/zinc/05/90/51/546059051.db2.gz VRJWSNUPQXQUFR-HZPDHXFCSA-N 1 1 373.384 2.099 20 5 FEBDMO COC(=O)[C@@H](C)C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000171302337 546202203 /nfs/dbraw/zinc/20/22/03/546202203.db2.gz OEYLRMNXBTUCFU-NSHDSACASA-N 1 1 360.370 2.418 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000171302337 546202208 /nfs/dbraw/zinc/20/22/08/546202208.db2.gz OEYLRMNXBTUCFU-NSHDSACASA-N 1 1 360.370 2.418 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000175612947 546320173 /nfs/dbraw/zinc/32/01/73/546320173.db2.gz QOKHAYGPIFGZLF-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)nc1 ZINC000177199373 546568875 /nfs/dbraw/zinc/56/88/75/546568875.db2.gz VDQMYDHQRUKQIR-HNNXBMFYSA-N 1 1 365.397 2.257 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000481539379 561235642 /nfs/dbraw/zinc/23/56/42/561235642.db2.gz GKEKTWGVZNYZIS-MRXNPFEDSA-N 1 1 351.403 2.289 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000481581886 561236509 /nfs/dbraw/zinc/23/65/09/561236509.db2.gz PQAJJOHUFRHLNV-GFCCVEGCSA-N 1 1 373.413 2.381 20 5 FEBDMO COCCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000179338942 546934511 /nfs/dbraw/zinc/93/45/11/546934511.db2.gz HYTRFVQVAJKOLQ-MRXNPFEDSA-N 1 1 351.403 2.051 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179566567 546978341 /nfs/dbraw/zinc/97/83/41/546978341.db2.gz KRPMIFQELWXAJM-CYBMUJFWSA-N 1 1 368.397 2.352 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1Cc1ccccc1 ZINC000180582713 547135892 /nfs/dbraw/zinc/13/58/92/547135892.db2.gz SWMKGGBHGAPCJF-ZFWWWQNUSA-N 1 1 369.425 2.355 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000180613663 547142325 /nfs/dbraw/zinc/14/23/25/547142325.db2.gz DPZMOSQOMZJUPY-UHFFFAOYSA-N 1 1 354.410 2.178 20 5 FEBDMO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000483113364 561267734 /nfs/dbraw/zinc/26/77/34/561267734.db2.gz VDKBOTVFFXJMFC-INIZCTEOSA-N 1 1 356.382 2.082 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000483113364 561267735 /nfs/dbraw/zinc/26/77/35/561267735.db2.gz VDKBOTVFFXJMFC-INIZCTEOSA-N 1 1 356.382 2.082 20 5 FEBDMO C[C@H]1OCC[C@H]1[N@@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277042 561272719 /nfs/dbraw/zinc/27/27/19/561272719.db2.gz IMHLIZNBIYTTFS-CZUORRHYSA-N 1 1 361.398 2.264 20 5 FEBDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182292793 547468705 /nfs/dbraw/zinc/46/87/05/547468705.db2.gz QTCIURUHDLSIER-HOTGVXAUSA-N 1 1 374.441 2.023 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000183298802 547635462 /nfs/dbraw/zinc/63/54/62/547635462.db2.gz ZJCQJPWIPDBCAF-QGZVFWFLSA-N 1 1 371.397 2.141 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000184067842 547764534 /nfs/dbraw/zinc/76/45/34/547764534.db2.gz JUKWKVBZLMSCRC-GFCCVEGCSA-N 1 1 354.838 2.004 20 5 FEBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000184221278 547790496 /nfs/dbraw/zinc/79/04/96/547790496.db2.gz DTSZWBVCLXNXJJ-SJORKVTESA-N 1 1 368.405 2.494 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179032 547946507 /nfs/dbraw/zinc/94/65/07/547946507.db2.gz NWKWMNUCDBMINL-JSGCOSHPSA-N 1 1 353.394 2.064 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1OC ZINC000186706315 548178519 /nfs/dbraw/zinc/17/85/19/548178519.db2.gz HHEJUAVMVKJZCW-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000245910217 549017026 /nfs/dbraw/zinc/01/70/26/549017026.db2.gz VLHZJRTWYZQBLX-HOCLYGCPSA-N 1 1 369.425 2.337 20 5 FEBDMO CCC[C@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000245930629 549022489 /nfs/dbraw/zinc/02/24/89/549022489.db2.gz PFINSQCGGXGBSM-ZWKOTPCHSA-N 1 1 351.447 2.061 20 5 FEBDMO Cc1nsc(N2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000246225700 549083511 /nfs/dbraw/zinc/08/35/11/549083511.db2.gz FDAAYSYCBAOTSB-OAHLLOKOSA-N 1 1 363.443 2.000 20 5 FEBDMO Cc1nsc(N2CCC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000246225700 549083514 /nfs/dbraw/zinc/08/35/14/549083514.db2.gz FDAAYSYCBAOTSB-OAHLLOKOSA-N 1 1 363.443 2.000 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1F ZINC000246322605 549105990 /nfs/dbraw/zinc/10/59/90/549105990.db2.gz RUSJSGHWRONSGN-GXTWGEPZSA-N 1 1 371.434 2.147 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](CO)[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000488758531 561396281 /nfs/dbraw/zinc/39/62/81/561396281.db2.gz JLGFESKDUYYNCY-GHMZBOCLSA-N 1 1 360.357 2.450 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000247933331 549393095 /nfs/dbraw/zinc/39/30/95/549393095.db2.gz CGALQKCVWYYMPZ-RDTXWAMCSA-N 1 1 369.425 2.337 20 5 FEBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489407429 561410330 /nfs/dbraw/zinc/41/03/30/561410330.db2.gz LXFGLOGDWYMSST-NSHDSACASA-N 1 1 373.356 2.037 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000248891752 549523316 /nfs/dbraw/zinc/52/33/16/549523316.db2.gz FWZRDEIXBOMNPG-GWCFXTLKSA-N 1 1 360.357 2.450 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000249299470 549579166 /nfs/dbraw/zinc/57/91/66/549579166.db2.gz CMNOCDFFNSYAKA-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO COc1ccc(C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C2CC2)cc1 ZINC000252480757 549667648 /nfs/dbraw/zinc/66/76/48/549667648.db2.gz FRALGKSEIYXKNM-KBXCAEBGSA-N 1 1 374.441 2.462 20 5 FEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@@H+]1CCO ZINC000490036464 561424939 /nfs/dbraw/zinc/42/49/39/561424939.db2.gz HOGRVGXHOLBSKD-OAHLLOKOSA-N 1 1 372.425 2.072 20 5 FEBDMO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC[N@H+]1CCO ZINC000490036464 561424940 /nfs/dbraw/zinc/42/49/40/561424940.db2.gz HOGRVGXHOLBSKD-OAHLLOKOSA-N 1 1 372.425 2.072 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000269015763 550144445 /nfs/dbraw/zinc/14/44/45/550144445.db2.gz ODQUMWXRJMLTDZ-IUODEOHRSA-N 1 1 351.378 2.055 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000269049943 550149505 /nfs/dbraw/zinc/14/95/05/550149505.db2.gz XOFWPPBKBJETKT-WBVHZDCISA-N 1 1 356.426 2.492 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000270898580 550318628 /nfs/dbraw/zinc/31/86/28/550318628.db2.gz FBGQKOIWVGNLCF-MQVJKMGUSA-N 1 1 369.425 2.254 20 5 FEBDMO CCCC[N@@H+](CCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000271797944 550402585 /nfs/dbraw/zinc/40/25/85/550402585.db2.gz WCMRAXVUYAYFFA-UHFFFAOYSA-N 1 1 353.419 2.417 20 5 FEBDMO C[C@@H](NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1=CC[N@@H+](C)CC1 ZINC000272651720 550463287 /nfs/dbraw/zinc/46/32/87/550463287.db2.gz ARNZJHNONOBCGL-CYBMUJFWSA-N 1 1 355.398 2.161 20 5 FEBDMO Cc1nccn1CC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000274822055 550557413 /nfs/dbraw/zinc/55/74/13/550557413.db2.gz KDKUCOSIXRCTJB-UHFFFAOYSA-N 1 1 369.429 2.188 20 5 FEBDMO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000274928329 550565315 /nfs/dbraw/zinc/56/53/15/550565315.db2.gz KVQYOXJMSJLBDT-UHFFFAOYSA-N 1 1 359.382 2.210 20 5 FEBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000277853912 550721647 /nfs/dbraw/zinc/72/16/47/550721647.db2.gz CQJKVGBALLSRMH-MRXNPFEDSA-N 1 1 357.414 2.494 20 5 FEBDMO COc1cc(Cc2noc(C[N@H+](C)C(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000278149121 550754597 /nfs/dbraw/zinc/75/45/97/550754597.db2.gz SNNXNCONZIWUKV-UHFFFAOYSA-N 1 1 350.375 2.426 20 5 FEBDMO COc1cc(Cc2noc(C[N@@H+](C)C(C)C)n2)c([N+](=O)[O-])c(OC)c1 ZINC000278149121 550754599 /nfs/dbraw/zinc/75/45/99/550754599.db2.gz SNNXNCONZIWUKV-UHFFFAOYSA-N 1 1 350.375 2.426 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278173166 550757306 /nfs/dbraw/zinc/75/73/06/550757306.db2.gz CTOSUJJEVSRLDF-UHFFFAOYSA-N 1 1 362.352 2.292 20 5 FEBDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000278417991 550783534 /nfs/dbraw/zinc/78/35/34/550783534.db2.gz YVQKIEMYBMQYLQ-IUODEOHRSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000278417991 550783535 /nfs/dbraw/zinc/78/35/35/550783535.db2.gz YVQKIEMYBMQYLQ-IUODEOHRSA-N 1 1 358.822 2.094 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CCCO1 ZINC000278570813 550800127 /nfs/dbraw/zinc/80/01/27/550800127.db2.gz PMKVUPRFEYIJGN-LBPRGKRZSA-N 1 1 355.822 2.479 20 5 FEBDMO COCCN(C)c1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cn1 ZINC000278689469 550811508 /nfs/dbraw/zinc/81/15/08/550811508.db2.gz MQUGYINPTSUSQZ-UHFFFAOYSA-N 1 1 370.413 2.239 20 5 FEBDMO O=C1C[C@]2(CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C2)CN1 ZINC000278915034 550835376 /nfs/dbraw/zinc/83/53/76/550835376.db2.gz QUWXSEPRUUIRPF-GOSISDBHSA-N 1 1 356.382 2.004 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658476 551018508 /nfs/dbraw/zinc/01/85/08/551018508.db2.gz DSUJMWUPJQAXSG-APPDUMDISA-N 1 1 359.386 2.164 20 5 FEBDMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282356689 551216467 /nfs/dbraw/zinc/21/64/67/551216467.db2.gz CZZWFTNJESOFGA-CYBMUJFWSA-N 1 1 370.409 2.195 20 5 FEBDMO C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282356689 551216469 /nfs/dbraw/zinc/21/64/69/551216469.db2.gz CZZWFTNJESOFGA-CYBMUJFWSA-N 1 1 370.409 2.195 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](c2ccccc2)C1 ZINC000497801935 561509180 /nfs/dbraw/zinc/50/91/80/561509180.db2.gz DZUDCVXMJGIVTM-RDJZCZTQSA-N 1 1 365.393 2.299 20 5 FEBDMO CC[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)[N@H+]1CCc2ccccc2C1 ZINC000498039406 561514369 /nfs/dbraw/zinc/51/43/69/561514369.db2.gz VIOFOZXUKGRAQN-KRWDZBQOSA-N 1 1 371.441 2.053 20 5 FEBDMO CN1CC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2)C1 ZINC000498132831 561516730 /nfs/dbraw/zinc/51/67/30/561516730.db2.gz SQVMEFPRBPMWNU-GOSISDBHSA-N 1 1 371.441 2.032 20 5 FEBDMO C[N@@H+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2)C1 ZINC000498132831 561516731 /nfs/dbraw/zinc/51/67/31/561516731.db2.gz SQVMEFPRBPMWNU-GOSISDBHSA-N 1 1 371.441 2.032 20 5 FEBDMO C[N@H+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H](c2ccccc2)C1 ZINC000498132831 561516732 /nfs/dbraw/zinc/51/67/32/561516732.db2.gz SQVMEFPRBPMWNU-GOSISDBHSA-N 1 1 371.441 2.032 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284152756 551493453 /nfs/dbraw/zinc/49/34/53/551493453.db2.gz VYQLIXNWQSZHOJ-LBPRGKRZSA-N 1 1 369.853 2.396 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)[C@@H]1c1ccccc1 ZINC000284375114 551535921 /nfs/dbraw/zinc/53/59/21/551535921.db2.gz LMMAGWPOSDGYRQ-RDJZCZTQSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000498313865 561521805 /nfs/dbraw/zinc/52/18/05/561521805.db2.gz ZXWYXNXHWYXKOG-CABCVRRESA-N 1 1 361.446 2.267 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000284641713 551596885 /nfs/dbraw/zinc/59/68/85/551596885.db2.gz OBWIAWDRKYHZEK-ZFWWWQNUSA-N 1 1 357.357 2.101 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C1 ZINC000284898279 551662121 /nfs/dbraw/zinc/66/21/21/551662121.db2.gz RRNOFBVWVNONRE-DLBZAZTESA-N 1 1 372.425 2.197 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000498954763 561539242 /nfs/dbraw/zinc/53/92/42/561539242.db2.gz DCGLGYAXKIAQSN-BLLLJJGKSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000498954763 561539243 /nfs/dbraw/zinc/53/92/43/561539243.db2.gz DCGLGYAXKIAQSN-BLLLJJGKSA-N 1 1 351.403 2.025 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000285780560 551809736 /nfs/dbraw/zinc/80/97/36/551809736.db2.gz XHWZUCXSGSJTOE-UHFFFAOYSA-N 1 1 357.414 2.099 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000499097775 561543314 /nfs/dbraw/zinc/54/33/14/561543314.db2.gz QTTKYERXEGBKBQ-LLVKDONJSA-N 1 1 361.851 2.319 20 5 FEBDMO CN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286324360 551874464 /nfs/dbraw/zinc/87/44/64/551874464.db2.gz JWWQVWUNRSOLNU-FUNVUKJBSA-N 1 1 353.444 2.060 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CCN12 ZINC000499264250 561547136 /nfs/dbraw/zinc/54/71/36/561547136.db2.gz LQZRCBFIZFGCTR-HNNXBMFYSA-N 1 1 356.382 2.099 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287511187 552013743 /nfs/dbraw/zinc/01/37/43/552013743.db2.gz UMXXMXNGPPXOGN-GJZGRUSLSA-N 1 1 374.441 2.175 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287511187 552013744 /nfs/dbraw/zinc/01/37/44/552013744.db2.gz UMXXMXNGPPXOGN-GJZGRUSLSA-N 1 1 374.441 2.175 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000288304586 552129250 /nfs/dbraw/zinc/12/92/50/552129250.db2.gz CGKCCGDAOOGKBI-AWEZNQCLSA-N 1 1 373.461 2.137 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000288638663 552189752 /nfs/dbraw/zinc/18/97/52/552189752.db2.gz YZFMJZNCZAKIRS-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000288638663 552189754 /nfs/dbraw/zinc/18/97/54/552189754.db2.gz YZFMJZNCZAKIRS-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000288823527 552219388 /nfs/dbraw/zinc/21/93/88/552219388.db2.gz IJERFZIRCGTCTO-SJORKVTESA-N 1 1 373.457 2.415 20 5 FEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289862314 552390548 /nfs/dbraw/zinc/39/05/48/552390548.db2.gz YOQGGWVONBVGAP-NSHDSACASA-N 1 1 356.810 2.169 20 5 FEBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2 ZINC000290093319 552425964 /nfs/dbraw/zinc/42/59/64/552425964.db2.gz WBPCOFVXHFUKKN-HNNXBMFYSA-N 1 1 369.425 2.011 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000290598531 552504471 /nfs/dbraw/zinc/50/44/71/552504471.db2.gz JHIHHNKXGRCOLL-UHFFFAOYSA-N 1 1 362.430 2.297 20 5 FEBDMO CN(CCCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)CC[NH+](C)C ZINC000290598531 552504473 /nfs/dbraw/zinc/50/44/73/552504473.db2.gz JHIHHNKXGRCOLL-UHFFFAOYSA-N 1 1 362.430 2.297 20 5 FEBDMO C[C@@H](CCNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000290731328 552527675 /nfs/dbraw/zinc/52/76/75/552527675.db2.gz GAXLBYOIXUEWNG-ZDUSSCGKSA-N 1 1 357.414 2.411 20 5 FEBDMO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000290782215 552537212 /nfs/dbraw/zinc/53/72/12/552537212.db2.gz NEZGPYZWOVKOLI-JJRVBVJISA-N 1 1 362.430 2.160 20 5 FEBDMO C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCc1ccncc1 ZINC000501071573 561589157 /nfs/dbraw/zinc/58/91/57/561589157.db2.gz XWAXMJPTDWYJCY-UHFFFAOYSA-N 1 1 356.382 2.462 20 5 FEBDMO Cc1cc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])cc(N2CCCC2)[nH+]1 ZINC000291051447 552580873 /nfs/dbraw/zinc/58/08/73/552580873.db2.gz DPOQVLWKIMTZJN-UHFFFAOYSA-N 1 1 356.386 2.004 20 5 FEBDMO C[C@H](c1ccccc1)[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(N)=O ZINC000292284629 552712091 /nfs/dbraw/zinc/71/20/91/552712091.db2.gz SZTPNFNATYLRCU-PXAZEXFGSA-N 1 1 371.393 2.209 20 5 FEBDMO C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292354782 552718974 /nfs/dbraw/zinc/71/89/74/552718974.db2.gz PZGFDWVLFJNNDK-DOTOQJQBSA-N 1 1 363.458 2.141 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCC[N@H+](C(C)C)CC1 ZINC000292615560 552743211 /nfs/dbraw/zinc/74/32/11/552743211.db2.gz XKVFPTUZBVJCIW-AWEZNQCLSA-N 1 1 364.446 2.347 20 5 FEBDMO O=c1nc([C@@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH][nH]1 ZINC000293440923 552824070 /nfs/dbraw/zinc/82/40/70/552824070.db2.gz BWEVJAIOMIBAFG-SECBINFHSA-N 1 1 371.319 2.405 20 5 FEBDMO COC(=O)[C@@H]([NH2+]CCCNc1ncnc2sc([N+](=O)[O-])cc21)C(C)C ZINC000295029990 552952597 /nfs/dbraw/zinc/95/25/97/552952597.db2.gz VNPOCLDIEALEFD-LBPRGKRZSA-N 1 1 367.431 2.189 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C ZINC000295647376 553038784 /nfs/dbraw/zinc/03/87/84/553038784.db2.gz FUESRKBIAHTULK-KBPBESRZSA-N 1 1 372.425 2.451 20 5 FEBDMO CC(C)(CCC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)[N+](=O)[O-] ZINC000295668092 553042095 /nfs/dbraw/zinc/04/20/95/553042095.db2.gz JMXQXWCSFPNFRF-KRWDZBQOSA-N 1 1 363.458 2.095 20 5 FEBDMO COC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000296539007 553176586 /nfs/dbraw/zinc/17/65/86/553176586.db2.gz BHQDYQMILZTKHA-KRWDZBQOSA-N 1 1 351.403 2.290 20 5 FEBDMO Cc1cc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000502986780 561631693 /nfs/dbraw/zinc/63/16/93/561631693.db2.gz SUEMLBFPDVRJKE-LBPRGKRZSA-N 1 1 367.365 2.308 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297750824 553334109 /nfs/dbraw/zinc/33/41/09/553334109.db2.gz VBLMNJQNBLOKJP-KBPBESRZSA-N 1 1 364.446 2.142 20 5 FEBDMO C[NH+](C)CCn1ccc(=NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCC2)[nH]1 ZINC000601024705 553340790 /nfs/dbraw/zinc/34/07/90/553340790.db2.gz YRKKSMFICCGDML-UHFFFAOYSA-N 1 1 357.414 2.413 20 5 FEBDMO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ncnn1C(C)(C)C ZINC000503125101 561635027 /nfs/dbraw/zinc/63/50/27/561635027.db2.gz ZQLGATZRAYOZAU-LBPRGKRZSA-N 1 1 360.418 2.448 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000298955915 553494955 /nfs/dbraw/zinc/49/49/55/553494955.db2.gz DLGFSLCOBIXAJO-CVEARBPZSA-N 1 1 361.398 2.128 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000299200933 553529846 /nfs/dbraw/zinc/52/98/46/553529846.db2.gz GCEBSZWXONAXLL-GOOCMWNKSA-N 1 1 374.441 2.282 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000504302705 561656009 /nfs/dbraw/zinc/65/60/09/561656009.db2.gz OKLBDQWPCQFKJY-HZPDHXFCSA-N 1 1 373.457 2.053 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@@H](C)CCC[C@H]1CO ZINC000299729708 553608883 /nfs/dbraw/zinc/60/88/83/553608883.db2.gz WLSUFUIENZJADC-JSGCOSHPSA-N 1 1 351.403 2.167 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301126946 553623924 /nfs/dbraw/zinc/62/39/24/553623924.db2.gz WWQQZXSJBZCFAE-BETUJISGSA-N 1 1 364.446 2.254 20 5 FEBDMO O=C(NC1CC1)c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301367344 553645423 /nfs/dbraw/zinc/64/54/23/553645423.db2.gz RKDLJXBFYXWWFD-XIRDDKMYSA-N 1 1 370.453 2.408 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000301560130 553660879 /nfs/dbraw/zinc/66/08/79/553660879.db2.gz JXRJJEVLDPAUHN-UHFFFAOYSA-N 1 1 360.458 2.284 20 5 FEBDMO O=C1COc2cc([N+](=O)[O-])c(NCC[N@H+]3CCc4ccccc4C3)cc2N1 ZINC000301612682 553665587 /nfs/dbraw/zinc/66/55/87/553665587.db2.gz GFJCLYUWAWQAAK-UHFFFAOYSA-N 1 1 368.393 2.396 20 5 FEBDMO COC(=O)c1cc(N[C@H](C)[C@H](C)[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000301673257 553670591 /nfs/dbraw/zinc/67/05/91/553670591.db2.gz GINJHEKCGZBMFF-OLZOCXBDSA-N 1 1 351.403 2.211 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000301897471 553689557 /nfs/dbraw/zinc/68/95/57/553689557.db2.gz RHCHNYRQVIETAX-ZDUSSCGKSA-N 1 1 355.460 2.309 20 5 FEBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000506363897 561696866 /nfs/dbraw/zinc/69/68/66/561696866.db2.gz PYQQARAIXLIVBI-AWEZNQCLSA-N 1 1 366.487 2.073 20 5 FEBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000506363898 561696870 /nfs/dbraw/zinc/69/68/70/561696870.db2.gz PYQQARAIXLIVBI-CQSZACIVSA-N 1 1 366.487 2.073 20 5 FEBDMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507388696 561727751 /nfs/dbraw/zinc/72/77/51/561727751.db2.gz LKMVEYZVWRDQRO-ZBFHGGJFSA-N 1 1 369.425 2.352 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000330440855 554122206 /nfs/dbraw/zinc/12/22/06/554122206.db2.gz OVCNLDCCWQYZCH-ZDUSSCGKSA-N 1 1 355.460 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330583500 554141613 /nfs/dbraw/zinc/14/16/13/554141613.db2.gz KLUMPXPBFBEXDB-WDEREUQCSA-N 1 1 370.247 2.451 20 5 FEBDMO C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCO1 ZINC000330714812 554162130 /nfs/dbraw/zinc/16/21/30/554162130.db2.gz SGMAIPHACJXZMO-OLZOCXBDSA-N 1 1 353.444 2.229 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1C ZINC000331161340 554223811 /nfs/dbraw/zinc/22/38/11/554223811.db2.gz RCFDNVFSZLKSHX-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CCN(C)CC1 ZINC000509006074 561781158 /nfs/dbraw/zinc/78/11/58/561781158.db2.gz ILTRPJPSKMWBFY-CYBMUJFWSA-N 1 1 368.428 2.473 20 5 FEBDMO C[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C1CCN(C)CC1 ZINC000509006074 561781160 /nfs/dbraw/zinc/78/11/60/561781160.db2.gz ILTRPJPSKMWBFY-CYBMUJFWSA-N 1 1 368.428 2.473 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000331821113 554324744 /nfs/dbraw/zinc/32/47/44/554324744.db2.gz MTHBXZYNKKGIAD-SNVBAGLBSA-N 1 1 372.351 2.460 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000331821113 554324746 /nfs/dbraw/zinc/32/47/46/554324746.db2.gz MTHBXZYNKKGIAD-SNVBAGLBSA-N 1 1 372.351 2.460 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332251770 554410341 /nfs/dbraw/zinc/41/03/41/554410341.db2.gz BUUJIZBXUYQWFQ-CABCVRRESA-N 1 1 353.444 2.062 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000332456962 554449673 /nfs/dbraw/zinc/44/96/73/554449673.db2.gz ORYMOPPBYHNWHL-UHFFFAOYSA-N 1 1 364.427 2.434 20 5 FEBDMO Cc1sc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000510533482 561838084 /nfs/dbraw/zinc/83/80/84/561838084.db2.gz KTVHURLNNRARRU-JQWIXIFHSA-N 1 1 359.473 2.212 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@@H+](C4CCCCC4)CCO3)no2)n1 ZINC000349841907 554745215 /nfs/dbraw/zinc/74/52/15/554745215.db2.gz VGSKQMIVEVBQHO-ZDUSSCGKSA-N 1 1 362.390 2.084 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(-c2nc([C@@H]3C[N@H+](C4CCCCC4)CCO3)no2)n1 ZINC000349841907 554745217 /nfs/dbraw/zinc/74/52/17/554745217.db2.gz VGSKQMIVEVBQHO-ZDUSSCGKSA-N 1 1 362.390 2.084 20 5 FEBDMO CC[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000361680777 554928432 /nfs/dbraw/zinc/92/84/32/554928432.db2.gz GQAYUKGHLKWLDK-KJTGTQQJSA-N 1 1 359.426 2.177 20 5 FEBDMO COc1ccc([C@@H]2C[C@H](C)C[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000362222382 554956681 /nfs/dbraw/zinc/95/66/81/554956681.db2.gz YBAJEMLMWJOELI-XCRHUMRWSA-N 1 1 360.414 2.244 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)cc2N1 ZINC000362926333 554999746 /nfs/dbraw/zinc/99/97/46/554999746.db2.gz QAYCKFUYZSPKDN-DZKIICNBSA-N 1 1 356.426 2.400 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363043092 555017291 /nfs/dbraw/zinc/01/72/91/555017291.db2.gz VOKVRMCKADQMIP-UONOGXRCSA-N 1 1 357.414 2.220 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000363080663 555025569 /nfs/dbraw/zinc/02/55/69/555025569.db2.gz JKKQEGHQPCUKBL-LQDVMPOASA-N 1 1 362.430 2.275 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000363279887 555069872 /nfs/dbraw/zinc/06/98/72/555069872.db2.gz GBXREXGIUYHVJP-AWEZNQCLSA-N 1 1 356.382 2.042 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000364322090 555290883 /nfs/dbraw/zinc/29/08/83/555290883.db2.gz DMDYZVXFFHDKCE-KGLIPLIRSA-N 1 1 352.387 2.016 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340107 555294332 /nfs/dbraw/zinc/29/43/32/555294332.db2.gz RKKGNFBGKROVCB-GJZGRUSLSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340107 555294333 /nfs/dbraw/zinc/29/43/33/555294333.db2.gz RKKGNFBGKROVCB-GJZGRUSLSA-N 1 1 352.387 2.146 20 5 FEBDMO O=C1NCCCC[C@@H]1[NH+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000364437151 555314126 /nfs/dbraw/zinc/31/41/26/555314126.db2.gz HNZQITDOZZPVDT-HNNXBMFYSA-N 1 1 366.849 2.035 20 5 FEBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000512416026 561904053 /nfs/dbraw/zinc/90/40/53/561904053.db2.gz QGUZKFRBLRPVLF-UHFFFAOYSA-N 1 1 355.394 2.316 20 5 FEBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512479413 561906699 /nfs/dbraw/zinc/90/66/99/561906699.db2.gz GOGWCUPBBWBPOM-GOEBONIOSA-N 1 1 361.442 2.499 20 5 FEBDMO COCCN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000364859456 555417477 /nfs/dbraw/zinc/41/74/77/555417477.db2.gz NRXUSMYVFWQKMR-MRXNPFEDSA-N 1 1 374.445 2.106 20 5 FEBDMO COCCN(C)c1ccc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cn1 ZINC000364859456 555417479 /nfs/dbraw/zinc/41/74/79/555417479.db2.gz NRXUSMYVFWQKMR-MRXNPFEDSA-N 1 1 374.445 2.106 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364871155 555421182 /nfs/dbraw/zinc/42/11/82/555421182.db2.gz QXNNSOGXIDNOTA-MRXNPFEDSA-N 1 1 374.485 2.418 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364871155 555421185 /nfs/dbraw/zinc/42/11/85/555421185.db2.gz QXNNSOGXIDNOTA-MRXNPFEDSA-N 1 1 374.485 2.418 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000365289828 555533778 /nfs/dbraw/zinc/53/37/78/555533778.db2.gz XJRVUUYXNJGUCQ-KSSFIOAISA-N 1 1 370.409 2.421 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000365540003 555603033 /nfs/dbraw/zinc/60/30/33/555603033.db2.gz QIYLJPRKCHPRIH-OLMNPRSZSA-N 1 1 361.442 2.143 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000365915420 555700313 /nfs/dbraw/zinc/70/03/13/555700313.db2.gz KRPFHYPKOSFBDZ-UHFFFAOYSA-N 1 1 373.812 2.111 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000367548541 556079937 /nfs/dbraw/zinc/07/99/37/556079937.db2.gz CQAFNJXFRAAVQL-ABAIWWIYSA-N 1 1 363.443 2.203 20 5 FEBDMO O=C1NC[C@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]12 ZINC000367941636 556178600 /nfs/dbraw/zinc/17/86/00/556178600.db2.gz IYPRLRJRRYHVBL-WFASDCNBSA-N 1 1 358.423 2.286 20 5 FEBDMO O=C1NC[C@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]12 ZINC000367941636 556178604 /nfs/dbraw/zinc/17/86/04/556178604.db2.gz IYPRLRJRRYHVBL-WFASDCNBSA-N 1 1 358.423 2.286 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000368095510 556217890 /nfs/dbraw/zinc/21/78/90/556217890.db2.gz QOHZEDMINDWQSP-IBGZPJMESA-N 1 1 355.394 2.226 20 5 FEBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000368368999 556289965 /nfs/dbraw/zinc/28/99/65/556289965.db2.gz GJPYICXUZZMAAF-XJKSGUPXSA-N 1 1 370.409 2.397 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000369241559 556546346 /nfs/dbraw/zinc/54/63/46/556546346.db2.gz XVCMDNLWYYBHQV-UHFFFAOYSA-N 1 1 357.414 2.046 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516876436 562062196 /nfs/dbraw/zinc/06/21/96/562062196.db2.gz XMEZDTPKTNRNDS-UHFFFAOYSA-N 1 1 361.427 2.392 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000370915898 557013979 /nfs/dbraw/zinc/01/39/79/557013979.db2.gz DYMAQALNMXFMBG-KDOFPFPSSA-N 1 1 371.441 2.450 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1cnn(C)c1C ZINC000517278586 562084061 /nfs/dbraw/zinc/08/40/61/562084061.db2.gz LCIWKZAEYBPCFR-UHFFFAOYSA-N 1 1 361.402 2.106 20 5 FEBDMO O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000371254144 557120838 /nfs/dbraw/zinc/12/08/38/557120838.db2.gz SEFQTJFNPHXALH-YRWFTTLQSA-N 1 1 351.406 2.384 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3C[N@@H+]4CCCC[C@H]4CO3)cc2N1 ZINC000371283670 557130284 /nfs/dbraw/zinc/13/02/84/557130284.db2.gz LKLKSDOUOZPHRD-UONOGXRCSA-N 1 1 360.414 2.145 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3C[N@H+]4CCCC[C@H]4CO3)cc2N1 ZINC000371283670 557130288 /nfs/dbraw/zinc/13/02/88/557130288.db2.gz LKLKSDOUOZPHRD-UONOGXRCSA-N 1 1 360.414 2.145 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000371533133 557212431 /nfs/dbraw/zinc/21/24/31/557212431.db2.gz DPTKIXBOXOVMBZ-UHFFFAOYSA-N 1 1 373.394 2.426 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000371581529 557229341 /nfs/dbraw/zinc/22/93/41/557229341.db2.gz RHUMYOAZEHZICY-YOEHRIQHSA-N 1 1 352.398 2.288 20 5 FEBDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)n1 ZINC000371828515 557305034 /nfs/dbraw/zinc/30/50/34/557305034.db2.gz JGZLVERBIYWPBX-LLVKDONJSA-N 1 1 358.358 2.201 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372158195 557395493 /nfs/dbraw/zinc/39/54/93/557395493.db2.gz UAJZGXPARYXXKK-ZIAGYGMSSA-N 1 1 363.414 2.290 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000518847585 562119721 /nfs/dbraw/zinc/11/97/21/562119721.db2.gz UXQGSXSSLBXIBG-ZDUSSCGKSA-N 1 1 364.446 2.332 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@H](n4cncn4)C3)o2)c1 ZINC000372476530 557480727 /nfs/dbraw/zinc/48/07/27/557480727.db2.gz YUSHSZMXMBUGOE-HNNXBMFYSA-N 1 1 354.370 2.331 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000372994141 557605473 /nfs/dbraw/zinc/60/54/73/557605473.db2.gz ASCNJGURNSZCAB-UHFFFAOYSA-N 1 1 352.398 2.957 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000373098353 557628295 /nfs/dbraw/zinc/62/82/95/557628295.db2.gz IZTYURHEZIVGMO-AWEZNQCLSA-N 1 1 357.414 2.455 20 5 FEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(c2ncccn2)CC1 ZINC000373206524 557650017 /nfs/dbraw/zinc/65/00/17/557650017.db2.gz NRKMJIQCPAJPAL-UHFFFAOYSA-N 1 1 372.385 2.394 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000373320808 557671958 /nfs/dbraw/zinc/67/19/58/557671958.db2.gz WENAVXNLBZHWLY-GOOCMWNKSA-N 1 1 374.441 2.139 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000373928649 557789433 /nfs/dbraw/zinc/78/94/33/557789433.db2.gz GGLKQMABWHFHNR-YOEHRIQHSA-N 1 1 355.398 2.137 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374012507 557807390 /nfs/dbraw/zinc/80/73/90/557807390.db2.gz FGVCINZNAIIMNC-DTTOXWODSA-N 1 1 350.415 2.287 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000374012507 557807394 /nfs/dbraw/zinc/80/73/94/557807394.db2.gz FGVCINZNAIIMNC-DTTOXWODSA-N 1 1 350.415 2.287 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000374056097 557814715 /nfs/dbraw/zinc/81/47/15/557814715.db2.gz WVGBKTREZPXABU-ZDUSSCGKSA-N 1 1 358.402 2.230 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](OC)CC1 ZINC000374666469 557914076 /nfs/dbraw/zinc/91/40/76/557914076.db2.gz UYCFUKQYKQVURF-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](OC)CC1 ZINC000374666469 557914077 /nfs/dbraw/zinc/91/40/77/557914077.db2.gz UYCFUKQYKQVURF-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000374717364 557920796 /nfs/dbraw/zinc/92/07/96/557920796.db2.gz MOBGDQZJPCKXPL-WMLDXEAASA-N 1 1 352.398 2.288 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000375015806 557964632 /nfs/dbraw/zinc/96/46/32/557964632.db2.gz DRSFMHBTUPANFD-XHDPSFHLSA-N 1 1 352.822 2.213 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1OC ZINC000375017021 557964999 /nfs/dbraw/zinc/96/49/99/557964999.db2.gz GFHODUGVZIGKEZ-DOMZBBRYSA-N 1 1 363.414 2.168 20 5 FEBDMO COc1cc(CN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000375121697 557980712 /nfs/dbraw/zinc/98/07/12/557980712.db2.gz UGDNKJIQEGSXOF-LSDHHAIUSA-N 1 1 367.421 2.164 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000521363389 562174924 /nfs/dbraw/zinc/17/49/24/562174924.db2.gz LTLYTOLWRPSLPH-ZDUSSCGKSA-N 1 1 363.414 2.311 20 5 FEBDMO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375407628 558022062 /nfs/dbraw/zinc/02/20/62/558022062.db2.gz ZNJHWKJMWANSIS-QGZVFWFLSA-N 1 1 371.441 2.395 20 5 FEBDMO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375407628 558022064 /nfs/dbraw/zinc/02/20/64/558022064.db2.gz ZNJHWKJMWANSIS-QGZVFWFLSA-N 1 1 371.441 2.395 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521375430 562175281 /nfs/dbraw/zinc/17/52/81/562175281.db2.gz PRXSXJKALDSEMG-HNNXBMFYSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000521375430 562175282 /nfs/dbraw/zinc/17/52/82/562175282.db2.gz PRXSXJKALDSEMG-HNNXBMFYSA-N 1 1 353.444 2.014 20 5 FEBDMO Cc1nc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375762155 558078860 /nfs/dbraw/zinc/07/88/60/558078860.db2.gz HNXFWGCBOXFRGD-CYBMUJFWSA-N 1 1 359.386 2.494 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376296676 558154069 /nfs/dbraw/zinc/15/40/69/558154069.db2.gz RMIZBRYMEQTUOU-HIFRSBDPSA-N 1 1 369.425 2.212 20 5 FEBDMO O=c1[nH]c(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000376399008 558168184 /nfs/dbraw/zinc/16/81/84/558168184.db2.gz WWKPSAMSSAFOJX-HOTGVXAUSA-N 1 1 373.413 2.299 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@]2(CCCCO2)C1 ZINC000376468316 558176962 /nfs/dbraw/zinc/17/69/62/558176962.db2.gz JZQASFZADKDXBQ-MAUKXSAKSA-N 1 1 350.415 2.370 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000521717122 562182741 /nfs/dbraw/zinc/18/27/41/562182741.db2.gz OYXMNULIYYQLGP-NWDGAFQWSA-N 1 1 355.822 2.474 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000521717121 562182748 /nfs/dbraw/zinc/18/27/48/562182748.db2.gz OYXMNULIYYQLGP-NEPJUHHUSA-N 1 1 355.822 2.474 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCOC(C)(C)C1 ZINC000377696868 558399569 /nfs/dbraw/zinc/39/95/69/558399569.db2.gz GUDFQRLDBZPVDI-UHFFFAOYSA-N 1 1 351.403 2.433 20 5 FEBDMO O=C([C@@H]1CCCc2[nH+]ccn21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000377844598 558433761 /nfs/dbraw/zinc/43/37/61/558433761.db2.gz XNJGGTKIJLXHSR-INIZCTEOSA-N 1 1 355.398 2.018 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000408371946 558671599 /nfs/dbraw/zinc/67/15/99/558671599.db2.gz GODUSSWQSKTECD-HOCLYGCPSA-N 1 1 367.471 2.262 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000408375866 558672188 /nfs/dbraw/zinc/67/21/88/558672188.db2.gz UNEKYKMVGXLKKE-ZIAGYGMSSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1ccc(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000524394805 562228029 /nfs/dbraw/zinc/22/80/29/562228029.db2.gz MWTSBSOUFJOPMI-LJQANCHMSA-N 1 1 355.394 2.479 20 5 FEBDMO CN(C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000411951758 558993907 /nfs/dbraw/zinc/99/39/07/558993907.db2.gz SCTBBFBADQOJFY-QZTJIDSGSA-N 1 1 355.394 2.366 20 5 FEBDMO CN(C(=O)C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000411951758 558993910 /nfs/dbraw/zinc/99/39/10/558993910.db2.gz SCTBBFBADQOJFY-QZTJIDSGSA-N 1 1 355.394 2.366 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000412232162 559021586 /nfs/dbraw/zinc/02/15/86/559021586.db2.gz NLVVHPIUEWELSQ-NWDGAFQWSA-N 1 1 353.394 2.226 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000412297718 559025820 /nfs/dbraw/zinc/02/58/20/559025820.db2.gz FDEMHRXJMGKFKE-JCGIZDLHSA-N 1 1 361.442 2.315 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c1F ZINC000412371644 559031581 /nfs/dbraw/zinc/03/15/81/559031581.db2.gz SBHNHKGBJASFJW-LBPRGKRZSA-N 1 1 365.405 2.228 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412692173 559050714 /nfs/dbraw/zinc/05/07/14/559050714.db2.gz CQYIEPWLKNUFJA-OAHLLOKOSA-N 1 1 371.441 2.223 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412692173 559050715 /nfs/dbraw/zinc/05/07/15/559050715.db2.gz CQYIEPWLKNUFJA-OAHLLOKOSA-N 1 1 371.441 2.223 20 5 FEBDMO CN(C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)(C)C[NH+]1CCOCC1 ZINC000414045665 559148785 /nfs/dbraw/zinc/14/87/85/559148785.db2.gz XNHXWPQZVDVUSF-UHFFFAOYSA-N 1 1 374.441 2.188 20 5 FEBDMO CCc1ccc([C@H]([NH2+]C[C@@H](O)Cn2ccnn2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000414172312 559151552 /nfs/dbraw/zinc/15/15/52/559151552.db2.gz DUTLJPUTWHMHDT-CRAIPNDOSA-N 1 1 371.397 2.082 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416410094 559310903 /nfs/dbraw/zinc/31/09/03/559310903.db2.gz WKYAWFDGLOXUNI-KGLIPLIRSA-N 1 1 355.460 2.315 20 5 FEBDMO C[C@H](NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000418237205 559395065 /nfs/dbraw/zinc/39/50/65/559395065.db2.gz VUPAGDXTXDJSHC-GUYCJALGSA-N 1 1 355.398 2.407 20 5 FEBDMO CC(C)(CC[NH3+])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000422558832 559594955 /nfs/dbraw/zinc/59/49/55/559594955.db2.gz ZUIZDPJWCYZUFC-UHFFFAOYSA-N 1 1 356.231 2.307 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000427373664 559754308 /nfs/dbraw/zinc/75/43/08/559754308.db2.gz BRBYUBIFYUBSTP-GDBMZVCRSA-N 1 1 371.441 2.452 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)N2CCC[N@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000428253010 559772450 /nfs/dbraw/zinc/77/24/50/559772450.db2.gz NTIFBFXSSMNQTN-CQSZACIVSA-N 1 1 364.446 2.347 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000428321446 559773377 /nfs/dbraw/zinc/77/33/77/559773377.db2.gz ARFHUIUOARHQOP-SFHVURJKSA-N 1 1 357.414 2.411 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429364064 559796880 /nfs/dbraw/zinc/79/68/80/559796880.db2.gz FHGSQERPORECKQ-GUYCJALGSA-N 1 1 363.414 2.443 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000429908096 559808359 /nfs/dbraw/zinc/80/83/59/559808359.db2.gz IAQIDCKTSYBSJO-OAHLLOKOSA-N 1 1 363.458 2.345 20 5 FEBDMO CC(C)c1ccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000430087623 559812831 /nfs/dbraw/zinc/81/28/31/559812831.db2.gz TVOKMLWFPIJNTN-AWEZNQCLSA-N 1 1 355.460 2.184 20 5 FEBDMO CC(C)c1ccc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000430087623 559812832 /nfs/dbraw/zinc/81/28/32/559812832.db2.gz TVOKMLWFPIJNTN-AWEZNQCLSA-N 1 1 355.460 2.184 20 5 FEBDMO Cc1c(CNC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000433456677 559881878 /nfs/dbraw/zinc/88/18/78/559881878.db2.gz NDADHJVULBHPOA-CQSZACIVSA-N 1 1 364.446 2.203 20 5 FEBDMO COc1cc(CN(C)CC[N@@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000434697654 559906080 /nfs/dbraw/zinc/90/60/80/559906080.db2.gz AFNDKJKFORQDCZ-UHFFFAOYSA-N 1 1 355.410 2.285 20 5 FEBDMO COc1cc(CN(C)CC[N@H+]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000434697654 559906081 /nfs/dbraw/zinc/90/60/81/559906081.db2.gz AFNDKJKFORQDCZ-UHFFFAOYSA-N 1 1 355.410 2.285 20 5 FEBDMO COc1ccc(OCC[N@@H+](C)CCN2CCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000434709853 559907025 /nfs/dbraw/zinc/90/70/25/559907025.db2.gz WCEGBXXXHNIFCW-UHFFFAOYSA-N 1 1 367.446 2.025 20 5 FEBDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000434909752 559912165 /nfs/dbraw/zinc/91/21/65/559912165.db2.gz PXGKAULAPIMZIR-RTBURBONSA-N 1 1 358.442 2.497 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+](CCO)[C@H]3CCCSC3)n2)cc1 ZINC000438990954 559986862 /nfs/dbraw/zinc/98/68/62/559986862.db2.gz ALXHXCDEQSHXJW-AWEZNQCLSA-N 1 1 364.427 2.335 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+](CCO)[C@H]3CCCSC3)n2)cc1 ZINC000438990954 559986863 /nfs/dbraw/zinc/98/68/63/559986863.db2.gz ALXHXCDEQSHXJW-AWEZNQCLSA-N 1 1 364.427 2.335 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@H]1CCCSC1 ZINC000439008802 559987143 /nfs/dbraw/zinc/98/71/43/559987143.db2.gz UKHQISLFUYWFQZ-HNNXBMFYSA-N 1 1 367.471 2.422 20 5 FEBDMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000440516644 560013391 /nfs/dbraw/zinc/01/33/91/560013391.db2.gz UHXRVZZALXDYIV-IBGZPJMESA-N 1 1 373.384 2.101 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000440915976 560019670 /nfs/dbraw/zinc/01/96/70/560019670.db2.gz WTRMDZLHIUWCQZ-JSGCOSHPSA-N 1 1 369.425 2.350 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000444636640 560117318 /nfs/dbraw/zinc/11/73/18/560117318.db2.gz OCHREFHZRQCUOS-UHFFFAOYSA-N 1 1 365.430 2.464 20 5 FEBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000447078670 560156082 /nfs/dbraw/zinc/15/60/82/560156082.db2.gz UYIBHQIRYAZMST-RKDMXIHUSA-N 1 1 364.442 2.344 20 5 FEBDMO C[N@H+]1CC[C@](O)(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000447680505 560166776 /nfs/dbraw/zinc/16/67/76/560166776.db2.gz HLLVFKIRNCPQOH-NSHDSACASA-N 1 1 370.278 2.122 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448752373 560197842 /nfs/dbraw/zinc/19/78/42/560197842.db2.gz UZNNXTWXXLKBGW-ZDUSSCGKSA-N 1 1 368.397 2.352 20 5 FEBDMO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000449197597 560219851 /nfs/dbraw/zinc/21/98/51/560219851.db2.gz WOPKJEKSEZRTOE-INIZCTEOSA-N 1 1 357.458 2.477 20 5 FEBDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000449392880 560228906 /nfs/dbraw/zinc/22/89/06/560228906.db2.gz LKGFQQLEOGBXCN-QGZVFWFLSA-N 1 1 352.387 2.005 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000449505749 560232312 /nfs/dbraw/zinc/23/23/12/560232312.db2.gz XNNMMAVSUYBTSX-MRXNPFEDSA-N 1 1 366.414 2.394 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000449576428 560233890 /nfs/dbraw/zinc/23/38/90/560233890.db2.gz SXVOAEUEZJGWTK-MEBBXXQBSA-N 1 1 359.785 2.176 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000449998767 560247714 /nfs/dbraw/zinc/24/77/14/560247714.db2.gz ZAWQVVHTDQAIBW-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO CCOCC[NH+]1CCN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC1 ZINC000450311651 560257939 /nfs/dbraw/zinc/25/79/39/560257939.db2.gz IRWJVRULTSIWQD-UHFFFAOYSA-N 1 1 360.414 2.310 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)[C@@H](C)C1 ZINC000450336803 560258997 /nfs/dbraw/zinc/25/89/97/560258997.db2.gz BKZVCABAGJLTBO-DZGCQCFKSA-N 1 1 361.446 2.442 20 5 FEBDMO CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000450562308 560266269 /nfs/dbraw/zinc/26/62/69/560266269.db2.gz GOMLKZVOQUMRKK-HNNXBMFYSA-N 1 1 371.397 2.248 20 5 FEBDMO CCOC(=O)c1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000450562308 560266270 /nfs/dbraw/zinc/26/62/70/560266270.db2.gz GOMLKZVOQUMRKK-HNNXBMFYSA-N 1 1 371.397 2.248 20 5 FEBDMO Cc1cc(NC[C@@H]2CCC[N@H+]2CCCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450594309 560267319 /nfs/dbraw/zinc/26/73/19/560267319.db2.gz KFQAYOVXTLXUPT-KRWDZBQOSA-N 1 1 371.441 2.041 20 5 FEBDMO CC1=CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC1 ZINC000450627494 560268565 /nfs/dbraw/zinc/26/85/65/560268565.db2.gz UIABTQKNMUDFJL-UHFFFAOYSA-N 1 1 355.398 2.162 20 5 FEBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1=CC[N@@H+](C)CC1 ZINC000450755959 560272440 /nfs/dbraw/zinc/27/24/40/560272440.db2.gz JTIVRXATOSJXMZ-ZDUSSCGKSA-N 1 1 355.398 2.161 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409266 560305241 /nfs/dbraw/zinc/30/52/41/560305241.db2.gz AESAEOUJQDVBCI-JFIYKMOQSA-N 1 1 359.426 2.109 20 5 FEBDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545200 560313608 /nfs/dbraw/zinc/31/36/08/560313608.db2.gz HABVVNYHVVASGT-TZMCWYRMSA-N 1 1 360.414 2.151 20 5 FEBDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545200 560313609 /nfs/dbraw/zinc/31/36/09/560313609.db2.gz HABVVNYHVVASGT-TZMCWYRMSA-N 1 1 360.414 2.151 20 5 FEBDMO Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)C2=O)cn1 ZINC000451550868 560313948 /nfs/dbraw/zinc/31/39/48/560313948.db2.gz SSBCCCVGTATMGH-MAUKXSAKSA-N 1 1 369.425 2.313 20 5 FEBDMO Cn1cc(N2CC[C@@H]([N@H+]3CCC[C@H](c4ccc([N+](=O)[O-])cc4)C3)C2=O)cn1 ZINC000451550868 560313949 /nfs/dbraw/zinc/31/39/49/560313949.db2.gz SSBCCCVGTATMGH-MAUKXSAKSA-N 1 1 369.425 2.313 20 5 FEBDMO CO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451854764 560332544 /nfs/dbraw/zinc/33/25/44/560332544.db2.gz RHTVJCYGURUUHB-DLBZAZTESA-N 1 1 359.426 2.373 20 5 FEBDMO CO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451854764 560332545 /nfs/dbraw/zinc/33/25/45/560332545.db2.gz RHTVJCYGURUUHB-DLBZAZTESA-N 1 1 359.426 2.373 20 5 FEBDMO CCOc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000452126230 560352790 /nfs/dbraw/zinc/35/27/90/560352790.db2.gz YQAZWLFPRIQTHT-AWEZNQCLSA-N 1 1 364.446 2.347 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)C2)C1 ZINC000452153201 560353906 /nfs/dbraw/zinc/35/39/06/560353906.db2.gz QUPZVMMORJAGIA-IBGZPJMESA-N 1 1 369.425 2.338 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000454010265 560421819 /nfs/dbraw/zinc/42/18/19/560421819.db2.gz XGZQQUGQSBXLIV-CYBMUJFWSA-N 1 1 362.430 2.038 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000454929730 560463907 /nfs/dbraw/zinc/46/39/07/560463907.db2.gz QRQIJAYCRBUXET-AWEZNQCLSA-N 1 1 350.419 2.180 20 5 FEBDMO CNc1nc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456034677 560505174 /nfs/dbraw/zinc/50/51/74/560505174.db2.gz WAJOLBVGVHCOMS-OAHLLOKOSA-N 1 1 369.425 2.283 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456065976 560505895 /nfs/dbraw/zinc/50/58/95/560505895.db2.gz VDTFSDPAWHMCBV-OAHLLOKOSA-N 1 1 369.425 2.030 20 5 FEBDMO CNc1nc(C(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456065976 560505896 /nfs/dbraw/zinc/50/58/96/560505896.db2.gz VDTFSDPAWHMCBV-OAHLLOKOSA-N 1 1 369.425 2.030 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000457092913 560548297 /nfs/dbraw/zinc/54/82/97/560548297.db2.gz XNUPLNDJKRCZFU-HNNXBMFYSA-N 1 1 363.414 2.326 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457128035 560551562 /nfs/dbraw/zinc/55/15/62/560551562.db2.gz RSTSEQXEZBSZSD-INIZCTEOSA-N 1 1 357.414 2.335 20 5 FEBDMO CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000458887518 560654408 /nfs/dbraw/zinc/65/44/08/560654408.db2.gz JHEZPGVTODFWDI-HOCLYGCPSA-N 1 1 364.446 2.408 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000459516458 560691445 /nfs/dbraw/zinc/69/14/45/560691445.db2.gz VGLALSPYKRPYHB-UHFFFAOYSA-N 1 1 351.451 2.250 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCCN(C)CC[NH+](C)C ZINC000459516458 560691446 /nfs/dbraw/zinc/69/14/46/560691446.db2.gz VGLALSPYKRPYHB-UHFFFAOYSA-N 1 1 351.451 2.250 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000460665472 560748698 /nfs/dbraw/zinc/74/86/98/560748698.db2.gz ZECRLDLMTYJDHR-LBPRGKRZSA-N 1 1 362.434 2.391 20 5 FEBDMO COC(=O)C[C@]1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CCOC1 ZINC000464602447 560846403 /nfs/dbraw/zinc/84/64/03/560846403.db2.gz LZCHQHNHFGUSOL-QGZVFWFLSA-N 1 1 352.387 2.194 20 5 FEBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000467293224 560907985 /nfs/dbraw/zinc/90/79/85/560907985.db2.gz IPQTZNCCSQNBIV-JDFRZJQESA-N 1 1 364.398 2.256 20 5 FEBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000467293224 560907986 /nfs/dbraw/zinc/90/79/86/560907986.db2.gz IPQTZNCCSQNBIV-JDFRZJQESA-N 1 1 364.398 2.256 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467395764 560909504 /nfs/dbraw/zinc/90/95/04/560909504.db2.gz VCPUFUWLELWJAD-MNOVXSKESA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467395764 560909505 /nfs/dbraw/zinc/90/95/05/560909505.db2.gz VCPUFUWLELWJAD-MNOVXSKESA-N 1 1 361.489 2.363 20 5 FEBDMO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000470619395 560986066 /nfs/dbraw/zinc/98/60/66/560986066.db2.gz DTNLRBHDXXEIBH-JHJVBQTASA-N 1 1 373.450 2.379 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@](C)(OC)C1 ZINC000470912743 560993781 /nfs/dbraw/zinc/99/37/81/560993781.db2.gz IWJPRNDKIJHVQJ-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000470968446 560995489 /nfs/dbraw/zinc/99/54/89/560995489.db2.gz QWGNMOXVFLTRSJ-APWZRJJASA-N 1 1 372.469 2.364 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475584441 561100388 /nfs/dbraw/zinc/10/03/88/561100388.db2.gz YUZJHJWDHAKVKN-AWEZNQCLSA-N 1 1 350.419 2.444 20 5 FEBDMO COC(=O)COc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000475713744 561102999 /nfs/dbraw/zinc/10/29/99/561102999.db2.gz KEPXMCPNHMCSHP-DZGCQCFKSA-N 1 1 365.430 2.061 20 5 FEBDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000476477396 561120489 /nfs/dbraw/zinc/12/04/89/561120489.db2.gz RXNNPWZNOXJQIN-UHFFFAOYSA-N 1 1 368.397 2.103 20 5 FEBDMO C[C@@H](C[NH+]1CCCCCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000476616716 561124472 /nfs/dbraw/zinc/12/44/72/561124472.db2.gz BLRHRHIYQVVDIQ-LBPRGKRZSA-N 1 1 359.423 2.277 20 5 FEBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000477025081 561134596 /nfs/dbraw/zinc/13/45/96/561134596.db2.gz MCIOGUXSFJKMCN-MRXNPFEDSA-N 1 1 371.441 2.313 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477065714 561135699 /nfs/dbraw/zinc/13/56/99/561135699.db2.gz JALCLXBTHYWRHS-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477065714 561135700 /nfs/dbraw/zinc/13/57/00/561135700.db2.gz JALCLXBTHYWRHS-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531883192 562459858 /nfs/dbraw/zinc/45/98/58/562459858.db2.gz CKIDXPRXUHRXMN-KRWDZBQOSA-N 1 1 372.425 2.429 20 5 FEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531915464 562461353 /nfs/dbraw/zinc/46/13/53/562461353.db2.gz IFUPIZVDFASEAT-DLBZAZTESA-N 1 1 362.430 2.037 20 5 FEBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C1CC1)C1CCCC1 ZINC000533380918 562506871 /nfs/dbraw/zinc/50/68/71/562506871.db2.gz ZHFLAKYCOJOOOF-AWEZNQCLSA-N 1 1 373.457 2.410 20 5 FEBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C1CC1)C1CCCC1 ZINC000533380918 562506872 /nfs/dbraw/zinc/50/68/72/562506872.db2.gz ZHFLAKYCOJOOOF-AWEZNQCLSA-N 1 1 373.457 2.410 20 5 FEBDMO C[C@@H]1C[N@@H+](CCOC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000536894350 562582181 /nfs/dbraw/zinc/58/21/81/562582181.db2.gz UZCYJDHRGCSHLC-GASCZTMLSA-N 1 1 364.446 2.084 20 5 FEBDMO C[C@@H]1C[N@H+](CCOC2CCN(c3ncccc3[N+](=O)[O-])CC2)C[C@H](C)O1 ZINC000536894350 562582182 /nfs/dbraw/zinc/58/21/82/562582182.db2.gz UZCYJDHRGCSHLC-GASCZTMLSA-N 1 1 364.446 2.084 20 5 FEBDMO COc1ccccc1[C@@H](CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000541053787 562601682 /nfs/dbraw/zinc/60/16/82/562601682.db2.gz HKWSIOGMMOITNT-MRXNPFEDSA-N 1 1 359.382 2.174 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C[C@H]1C ZINC000569000840 568266107 /nfs/dbraw/zinc/26/61/07/568266107.db2.gz NUQSXOBCDODRLM-ZIAGYGMSSA-N 1 1 366.437 2.489 20 5 FEBDMO COc1ccc(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810182565 674535776 /nfs/dbraw/zinc/53/57/76/674535776.db2.gz WHVDWCKSIBAWFE-KRWDZBQOSA-N 1 1 353.394 2.432 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820710930 606705940 /nfs/dbraw/zinc/70/59/40/606705940.db2.gz SZETYOWSUJEZDB-NSHDSACASA-N 1 1 360.422 2.092 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000561359638 674660079 /nfs/dbraw/zinc/66/00/79/674660079.db2.gz BMPIMCWADSELJS-LLVKDONJSA-N 1 1 353.806 2.394 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812331619 674667454 /nfs/dbraw/zinc/66/74/54/674667454.db2.gz ROKFMHGLAOSUIA-NEPJUHHUSA-N 1 1 355.341 2.220 20 5 FEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000564803994 675063688 /nfs/dbraw/zinc/06/36/88/675063688.db2.gz OUKFHJXEVDBHJC-AWEZNQCLSA-N 1 1 374.210 2.060 20 5 FEBDMO C[N@@H+](CCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000570487397 670721389 /nfs/dbraw/zinc/72/13/89/670721389.db2.gz AGPLVSOEXWNIJU-UHFFFAOYSA-N 1 1 350.156 2.014 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000571154355 670824967 /nfs/dbraw/zinc/82/49/67/670824967.db2.gz KEPPLJKBTVZKCD-NSHDSACASA-N 1 1 370.837 2.423 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000579516489 671741620 /nfs/dbraw/zinc/74/16/20/671741620.db2.gz NAGUOWUKLSAQFO-UMVBOHGHSA-N 1 1 351.451 2.198 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000120062757 671915623 /nfs/dbraw/zinc/91/56/23/671915623.db2.gz QGRIMRYTFAQVBW-GFCCVEGCSA-N 1 1 361.489 2.303 20 5 FEBDMO CC[NH+]1CCN(C(=O)[C@H](C)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000122456392 671966836 /nfs/dbraw/zinc/96/68/36/671966836.db2.gz FQDYBLWRAYZVKU-ZDUSSCGKSA-N 1 1 368.865 2.233 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123978013 671988752 /nfs/dbraw/zinc/98/87/52/671988752.db2.gz YHVLZBHERYQNMW-WDEREUQCSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123978013 671988755 /nfs/dbraw/zinc/98/87/55/671988755.db2.gz YHVLZBHERYQNMW-WDEREUQCSA-N 1 1 373.862 2.460 20 5 FEBDMO C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000125422847 672011014 /nfs/dbraw/zinc/01/10/14/672011014.db2.gz NPJVXVDYPUVJAN-CYBMUJFWSA-N 1 1 350.419 2.240 20 5 FEBDMO C[N@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000125422847 672011017 /nfs/dbraw/zinc/01/10/17/672011017.db2.gz NPJVXVDYPUVJAN-CYBMUJFWSA-N 1 1 350.419 2.240 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000130462288 672075356 /nfs/dbraw/zinc/07/53/56/672075356.db2.gz BVFTWMBHHUUIEB-FRRDWIJNSA-N 1 1 373.450 2.379 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000584082544 672153780 /nfs/dbraw/zinc/15/37/80/672153780.db2.gz XQSHMIDUGZJFJO-GFCCVEGCSA-N 1 1 359.448 2.002 20 5 FEBDMO C[C@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000176243502 672374674 /nfs/dbraw/zinc/37/46/74/672374674.db2.gz ZULTZCKHHIOKKF-STQMWFEESA-N 1 1 353.423 2.121 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000587983938 672443682 /nfs/dbraw/zinc/44/36/82/672443682.db2.gz UEHASCWCYAWNTP-FZMZJTMJSA-N 1 1 350.419 2.251 20 5 FEBDMO C[C@@H](O)C[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000589254469 672517588 /nfs/dbraw/zinc/51/75/88/672517588.db2.gz FPCDYVMVRONVNE-MRVPVSSYSA-N 1 1 350.156 2.012 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000589930713 672548399 /nfs/dbraw/zinc/54/83/99/672548399.db2.gz JPQDMLOOSHVBQT-CYBMUJFWSA-N 1 1 367.471 2.398 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000590043744 672555461 /nfs/dbraw/zinc/55/54/61/672555461.db2.gz FLFNMYFYBYJWPG-SWLSCSKDSA-N 1 1 358.423 2.494 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000590045724 672555982 /nfs/dbraw/zinc/55/59/82/672555982.db2.gz TYWBXCJSCOJPSQ-FZMZJTMJSA-N 1 1 368.231 2.062 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590565746 672590413 /nfs/dbraw/zinc/59/04/13/672590413.db2.gz QERHDCXAAKDZRW-HOTGVXAUSA-N 1 1 367.833 2.112 20 5 FEBDMO COCCOCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131282 672762398 /nfs/dbraw/zinc/76/23/98/672762398.db2.gz WGOGYCDSVSBWLD-QAQDUYKDSA-N 1 1 352.431 2.363 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000246298739 672834649 /nfs/dbraw/zinc/83/46/49/672834649.db2.gz BVFTWMBHHUUIEB-XQQFMLRXSA-N 1 1 373.450 2.379 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H]1CCCOC1 ZINC000593070350 672871719 /nfs/dbraw/zinc/87/17/19/672871719.db2.gz WQIHGHPPKJAFJK-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000262297339 672912742 /nfs/dbraw/zinc/91/27/42/672912742.db2.gz WVMPRLIMZTWTRK-NSHDSACASA-N 1 1 365.386 2.421 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1F ZINC000594198720 673043185 /nfs/dbraw/zinc/04/31/85/673043185.db2.gz VIZVKSPSZAUUCI-ZIAGYGMSSA-N 1 1 351.378 2.489 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000725825297 673092973 /nfs/dbraw/zinc/09/29/73/673092973.db2.gz WVRPYTBXBHDUNH-VXGBXAGGSA-N 1 1 359.835 2.153 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594792485 673144659 /nfs/dbraw/zinc/14/46/59/673144659.db2.gz RIEWCMUPTNOLEH-CYBMUJFWSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793967 673145412 /nfs/dbraw/zinc/14/54/12/673145412.db2.gz XQAMCYMDARALNL-CYBMUJFWSA-N 1 1 355.460 2.302 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000443962032 673225177 /nfs/dbraw/zinc/22/51/77/673225177.db2.gz LNHKMDPPKOELNQ-GFCCVEGCSA-N 1 1 364.427 2.116 20 5 FEBDMO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000595414529 673247085 /nfs/dbraw/zinc/24/70/85/673247085.db2.gz LFCXCRZYBJZYOF-LLVKDONJSA-N 1 1 367.402 2.493 20 5 FEBDMO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595416377 673247580 /nfs/dbraw/zinc/24/75/80/673247580.db2.gz VZJKZSYXLPIPDY-NSHDSACASA-N 1 1 367.402 2.493 20 5 FEBDMO CN1CC[NH+](CCCNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596063846 673354971 /nfs/dbraw/zinc/35/49/71/673354971.db2.gz YPHJZDNYUGSRRD-UHFFFAOYSA-N 1 1 357.252 2.407 20 5 FEBDMO CCN(C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000596179827 673365820 /nfs/dbraw/zinc/36/58/20/673365820.db2.gz UFIBDBSZDGECOS-CQSZACIVSA-N 1 1 350.419 2.229 20 5 FEBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812426 673384441 /nfs/dbraw/zinc/38/44/41/673384441.db2.gz BAHYSLMRBAOPSV-GFCCVEGCSA-N 1 1 361.320 2.069 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732812426 673384446 /nfs/dbraw/zinc/38/44/46/673384446.db2.gz BAHYSLMRBAOPSV-GFCCVEGCSA-N 1 1 361.320 2.069 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000734552830 673466562 /nfs/dbraw/zinc/46/65/62/673466562.db2.gz SMUSXVIPQFZEDN-LBPRGKRZSA-N 1 1 350.375 2.225 20 5 FEBDMO CS(=O)(=O)c1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164034 673637839 /nfs/dbraw/zinc/63/78/39/673637839.db2.gz INPNNWSYLGVSOW-CYBMUJFWSA-N 1 1 353.444 2.427 20 5 FEBDMO CS(=O)(=O)c1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164034 673637840 /nfs/dbraw/zinc/63/78/40/673637840.db2.gz INPNNWSYLGVSOW-CYBMUJFWSA-N 1 1 353.444 2.427 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000599389867 673667987 /nfs/dbraw/zinc/66/79/87/673667987.db2.gz DXJFVTMUGWCASB-OAHLLOKOSA-N 1 1 353.444 2.280 20 5 FEBDMO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cnn(C)c1 ZINC000742390211 673726190 /nfs/dbraw/zinc/72/61/90/673726190.db2.gz CUFIWLWHPVEABD-BONVTDFDSA-N 1 1 363.805 2.265 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000599965981 673730768 /nfs/dbraw/zinc/73/07/68/673730768.db2.gz JDUAJIIETCQYDS-BXKDBHETSA-N 1 1 354.204 2.133 20 5 FEBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000601019428 673819806 /nfs/dbraw/zinc/81/98/06/673819806.db2.gz JMCFPNBGTHJTTG-ZDUSSCGKSA-N 1 1 351.378 2.061 20 5 FEBDMO Cn1cc[nH+]c1N1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000745972768 673859521 /nfs/dbraw/zinc/85/95/21/673859521.db2.gz DQAWUQFNKOGZKK-UHFFFAOYSA-N 1 1 366.219 2.417 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000746670435 673889153 /nfs/dbraw/zinc/88/91/53/673889153.db2.gz GXBFJOWCVTXZCT-MRXNPFEDSA-N 1 1 352.866 2.460 20 5 FEBDMO C[C@](CO)([NH2+]Cc1cccn(C(F)F)c1=O)c1cccc([N+](=O)[O-])c1 ZINC000602731411 673910166 /nfs/dbraw/zinc/91/01/66/673910166.db2.gz JQZFSXYCQSMODS-MRXNPFEDSA-N 1 1 353.325 2.149 20 5 FEBDMO CCCC[NH+]1CCC(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000567691435 675313030 /nfs/dbraw/zinc/31/30/30/675313030.db2.gz XEYSRGCXIFMVIO-UHFFFAOYSA-N 1 1 369.487 2.223 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000822768647 675505355 /nfs/dbraw/zinc/50/53/55/675505355.db2.gz XGTMUSFFDFPPOM-JTQLQIEISA-N 1 1 366.805 2.173 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000823253735 675539752 /nfs/dbraw/zinc/53/97/52/675539752.db2.gz NRDKMRCCGZIRAL-LBPRGKRZSA-N 1 1 368.821 2.311 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC1CC([NH+]2CCOCC2)C1 ZINC000823620414 675563531 /nfs/dbraw/zinc/56/35/31/675563531.db2.gz CGNOIPKBABLADB-UHFFFAOYSA-N 1 1 367.833 2.160 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825709528 675664897 /nfs/dbraw/zinc/66/48/97/675664897.db2.gz WYVPJGDMDNNRJF-UHFFFAOYSA-N 1 1 371.235 2.309 20 5 FEBDMO CC1=CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000828498834 675824258 /nfs/dbraw/zinc/82/42/58/675824258.db2.gz FYBAOGOFOJCDFN-UHFFFAOYSA-N 1 1 350.394 2.182 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000839033070 680734021 /nfs/dbraw/zinc/73/40/21/680734021.db2.gz ZVJGIVJMPPSXNW-MRXNPFEDSA-N 1 1 362.817 2.499 20 5 FEBDMO COCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839463875 680754000 /nfs/dbraw/zinc/75/40/00/680754000.db2.gz SRJYAOHUENQMCT-UHFFFAOYSA-N 1 1 358.236 2.121 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839590753 680764185 /nfs/dbraw/zinc/76/41/85/680764185.db2.gz CZWDAJRUTICMAM-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO C[C@@H]1CCSCC[N@@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840051309 680795152 /nfs/dbraw/zinc/79/51/52/680795152.db2.gz BLUQTZTWQAUVAE-MLGOLLRUSA-N 1 1 351.428 2.317 20 5 FEBDMO C[C@@H]1CCSCC[N@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840051309 680795154 /nfs/dbraw/zinc/79/51/54/680795154.db2.gz BLUQTZTWQAUVAE-MLGOLLRUSA-N 1 1 351.428 2.317 20 5 FEBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206605 680835369 /nfs/dbraw/zinc/83/53/69/680835369.db2.gz BYAXDBFBVAEXDS-CABZTGNLSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206605 680835371 /nfs/dbraw/zinc/83/53/71/680835371.db2.gz BYAXDBFBVAEXDS-CABZTGNLSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832283541 680120050 /nfs/dbraw/zinc/12/00/50/680120050.db2.gz BSMWOLYSXXWDDA-SWLSCSKDSA-N 1 1 361.364 2.444 20 5 FEBDMO C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832283541 680120051 /nfs/dbraw/zinc/12/00/51/680120051.db2.gz BSMWOLYSXXWDDA-SWLSCSKDSA-N 1 1 361.364 2.444 20 5 FEBDMO Cc1cc(Cl)ccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC2[N+](=O)[O-])C1 ZINC000983649141 680317541 /nfs/dbraw/zinc/31/75/41/680317541.db2.gz OILPKPCFJUKOOW-RAEVTNRLSA-N 1 1 351.834 2.298 20 5 FEBDMO C[N@H+](Cc1ccc(Cl)nc1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964755 680394570 /nfs/dbraw/zinc/39/45/70/680394570.db2.gz XYVYHXSETPSNAI-HUUCEWRRSA-N 1 1 366.849 2.071 20 5 FEBDMO C[N@@H+](Cc1ccc(Cl)nc1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964755 680394575 /nfs/dbraw/zinc/39/45/75/680394575.db2.gz XYVYHXSETPSNAI-HUUCEWRRSA-N 1 1 366.849 2.071 20 5 FEBDMO C[N@H+](Cc1ccc(Cl)nc1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964755 680394579 /nfs/dbraw/zinc/39/45/79/680394579.db2.gz XYVYHXSETPSNAI-HUUCEWRRSA-N 1 1 366.849 2.071 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000836368728 680458759 /nfs/dbraw/zinc/45/87/59/680458759.db2.gz TVUJJCFQUJPHJK-GFCCVEGCSA-N 1 1 356.810 2.217 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000836367919 680458966 /nfs/dbraw/zinc/45/89/66/680458966.db2.gz IRKUWJZEVQMYCV-UHFFFAOYSA-N 1 1 357.842 2.253 20 5 FEBDMO CN(CCCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1)CC[NH+](C)C ZINC000836367919 680458969 /nfs/dbraw/zinc/45/89/69/680458969.db2.gz IRKUWJZEVQMYCV-UHFFFAOYSA-N 1 1 357.842 2.253 20 5 FEBDMO O=C(NCC1CC[NH+](CC2CCC(F)(F)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400694 680460544 /nfs/dbraw/zinc/46/05/44/680460544.db2.gz VUOOMMWQODNHOH-HUUCEWRRSA-N 1 1 359.417 2.305 20 5 FEBDMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768441437 680947050 /nfs/dbraw/zinc/94/70/50/680947050.db2.gz IKQYUNUNMJXSLY-UWVGGRQHSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768441437 680947051 /nfs/dbraw/zinc/94/70/51/680947051.db2.gz IKQYUNUNMJXSLY-UWVGGRQHSA-N 1 1 356.220 2.443 20 5 FEBDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000842480868 680949704 /nfs/dbraw/zinc/94/97/04/680949704.db2.gz AZMNMDGLXYTQEC-UHFFFAOYSA-N 1 1 365.386 2.341 20 5 FEBDMO C[N@@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000768865798 680962322 /nfs/dbraw/zinc/96/23/22/680962322.db2.gz OMOPGLULKPHPMD-HIFRSBDPSA-N 1 1 367.452 2.380 20 5 FEBDMO C[N@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000768865798 680962323 /nfs/dbraw/zinc/96/23/23/680962323.db2.gz OMOPGLULKPHPMD-HIFRSBDPSA-N 1 1 367.452 2.380 20 5 FEBDMO O=C(CCN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000843382413 681000571 /nfs/dbraw/zinc/00/05/71/681000571.db2.gz OZYQFZCIETWLOK-KRWDZBQOSA-N 1 1 350.394 2.138 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000843758684 681016919 /nfs/dbraw/zinc/01/69/19/681016919.db2.gz UTYDJOQECNRYGE-CYBMUJFWSA-N 1 1 353.394 2.129 20 5 FEBDMO C[N@H+](CC(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[C@@H]1CCSC1 ZINC000774178010 681171602 /nfs/dbraw/zinc/17/16/02/681171602.db2.gz SVGLOUKVDCHLAD-MGPQQGTHSA-N 1 1 368.459 2.256 20 5 FEBDMO C[N@@H+](CC(=O)O[C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[C@@H]1CCSC1 ZINC000774178010 681171604 /nfs/dbraw/zinc/17/16/04/681171604.db2.gz SVGLOUKVDCHLAD-MGPQQGTHSA-N 1 1 368.459 2.256 20 5 FEBDMO CC(C)C[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000846292536 681221629 /nfs/dbraw/zinc/22/16/29/681221629.db2.gz WHXZLJGZYMGDTA-UHFFFAOYSA-N 1 1 373.251 2.460 20 5 FEBDMO C[N@H+](CCCNC(=O)C1CCC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775119465 681275611 /nfs/dbraw/zinc/27/56/11/681275611.db2.gz RZAVWABZXGZSSU-UHFFFAOYSA-N 1 1 350.375 2.241 20 5 FEBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775119465 681275614 /nfs/dbraw/zinc/27/56/14/681275614.db2.gz RZAVWABZXGZSSU-UHFFFAOYSA-N 1 1 350.375 2.241 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000846837407 681297044 /nfs/dbraw/zinc/29/70/44/681297044.db2.gz ZYWSEOJFMWOGRD-LLVKDONJSA-N 1 1 363.805 2.410 20 5 FEBDMO COc1cc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c([N+](=O)[O-])cc1F ZINC000932760392 681303726 /nfs/dbraw/zinc/30/37/26/681303726.db2.gz QBKVSTLKXXNVGN-UHFFFAOYSA-N 1 1 353.350 2.207 20 5 FEBDMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(S(N)(=O)=O)c1 ZINC000775618696 681319204 /nfs/dbraw/zinc/31/92/04/681319204.db2.gz WBQRWHYGVJGLSE-SNVBAGLBSA-N 1 1 353.375 2.232 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000933544446 681429288 /nfs/dbraw/zinc/42/92/88/681429288.db2.gz DFYUSJTVRYTWLR-ZDUSSCGKSA-N 1 1 365.455 2.111 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580004 681581894 /nfs/dbraw/zinc/58/18/94/681581894.db2.gz FPLWNDAJHZXCTI-LLVKDONJSA-N 1 1 355.341 2.167 20 5 FEBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000935690895 681802224 /nfs/dbraw/zinc/80/22/24/681802224.db2.gz XZKLXCCARVYLIO-GDBMZVCRSA-N 1 1 353.369 2.311 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000780601494 681848775 /nfs/dbraw/zinc/84/87/75/681848775.db2.gz WVZUGEXHIVFDHZ-NSHDSACASA-N 1 1 350.444 2.486 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781627185 681954155 /nfs/dbraw/zinc/95/41/55/681954155.db2.gz PWVIGEJDISNUJV-GFCCVEGCSA-N 1 1 352.391 2.282 20 5 FEBDMO CC1(C)CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000782007368 681997866 /nfs/dbraw/zinc/99/78/66/681997866.db2.gz YWECLLXZJRLAQJ-UHFFFAOYSA-N 1 1 356.810 2.169 20 5 FEBDMO CC1(C)CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000782007368 681997870 /nfs/dbraw/zinc/99/78/70/681997870.db2.gz YWECLLXZJRLAQJ-UHFFFAOYSA-N 1 1 356.810 2.169 20 5 FEBDMO C[C@H]1CCC[N@H+]1CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000782026258 681999542 /nfs/dbraw/zinc/99/95/42/681999542.db2.gz REQIZGHJTCAMOF-LBPRGKRZSA-N 1 1 350.375 2.036 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000783562605 682154055 /nfs/dbraw/zinc/15/40/55/682154055.db2.gz KPQQVPJFHOJTOJ-OAHLLOKOSA-N 1 1 352.866 2.460 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=S)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000917597546 685533191 /nfs/dbraw/zinc/53/31/91/685533191.db2.gz MSIADFIFEXYRBB-ZDUSSCGKSA-N 1 1 352.460 2.052 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@](O)(C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852501429 682291409 /nfs/dbraw/zinc/29/14/09/682291409.db2.gz MGQRLNVMYXLPAI-QGZVFWFLSA-N 1 1 351.378 2.299 20 5 FEBDMO O=C(CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000859886398 683168558 /nfs/dbraw/zinc/16/85/58/683168558.db2.gz COAORGKIZZUTJD-OCDDVZBJSA-N 1 1 369.418 2.048 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928098049 683388908 /nfs/dbraw/zinc/38/89/08/683388908.db2.gz GRAAZIBMQZAMEK-HUUCEWRRSA-N 1 1 367.496 2.383 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928098049 683388913 /nfs/dbraw/zinc/38/89/13/683388913.db2.gz GRAAZIBMQZAMEK-HUUCEWRRSA-N 1 1 367.496 2.383 20 5 FEBDMO COc1ccc(CSCC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000928451747 683454149 /nfs/dbraw/zinc/45/41/49/683454149.db2.gz GNQUZPOTAVYHEN-YPMHNXCESA-N 1 1 353.444 2.045 20 5 FEBDMO CCCN(C(=S)NCCC[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000799507908 683462868 /nfs/dbraw/zinc/46/28/68/683462868.db2.gz VVVAZYCNYDRLCB-UHFFFAOYSA-N 1 1 366.487 2.408 20 5 FEBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCCS3(=O)=O)CC2)cc1 ZINC000929748905 683635513 /nfs/dbraw/zinc/63/55/13/683635513.db2.gz LHXKFXBKZMCJPZ-INIZCTEOSA-N 1 1 354.428 2.015 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000863033905 683668608 /nfs/dbraw/zinc/66/86/08/683668608.db2.gz YPXFPABFKKGSJW-GFCCVEGCSA-N 1 1 361.427 2.346 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000863035065 683668852 /nfs/dbraw/zinc/66/88/52/683668852.db2.gz RMQZTHWCJVAIDU-ZDUSSCGKSA-N 1 1 351.378 2.246 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000863035005 683669083 /nfs/dbraw/zinc/66/90/83/683669083.db2.gz RMQZTHWCJVAIDU-CYBMUJFWSA-N 1 1 351.378 2.246 20 5 FEBDMO COC[C@@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930657476 683765349 /nfs/dbraw/zinc/76/53/49/683765349.db2.gz HAVHKSALPNCCGN-AWEZNQCLSA-N 1 1 359.220 2.188 20 5 FEBDMO COC[C@@]1(CO)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930657476 683765356 /nfs/dbraw/zinc/76/53/56/683765356.db2.gz HAVHKSALPNCCGN-AWEZNQCLSA-N 1 1 359.220 2.188 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000931433706 684282279 /nfs/dbraw/zinc/28/22/79/684282279.db2.gz FOYWAYLYBGVPGU-NEPJUHHUSA-N 1 1 352.822 2.070 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868926681 684558403 /nfs/dbraw/zinc/55/84/03/684558403.db2.gz DCENDRMRGFOOMA-LBPRGKRZSA-N 1 1 370.247 2.452 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869785650 684656204 /nfs/dbraw/zinc/65/62/04/684656204.db2.gz YSULDHAXBAGDOP-STQMWFEESA-N 1 1 367.471 2.037 20 5 FEBDMO COCCNC(=O)C1([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872080194 684918140 /nfs/dbraw/zinc/91/81/40/684918140.db2.gz UGJDTEAPHNYBAG-NSHDSACASA-N 1 1 353.444 2.263 20 5 FEBDMO CN(C[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000876690979 686244391 /nfs/dbraw/zinc/24/43/91/686244391.db2.gz WZMZHMCFSKNBOP-GFCCVEGCSA-N 1 1 353.423 2.017 20 5 FEBDMO CN(C[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1)C(=O)OC(C)(C)C ZINC000876690979 686244397 /nfs/dbraw/zinc/24/43/97/686244397.db2.gz WZMZHMCFSKNBOP-GFCCVEGCSA-N 1 1 353.423 2.017 20 5 FEBDMO CONC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000879926444 686948234 /nfs/dbraw/zinc/94/82/34/686948234.db2.gz RZEINKMMYVPQQU-UHFFFAOYSA-N 1 1 372.219 2.247 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000880134436 687004077 /nfs/dbraw/zinc/00/40/77/687004077.db2.gz MVJXRFHZWZTOOH-CABCVRRESA-N 1 1 352.822 2.355 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000882515390 687383416 /nfs/dbraw/zinc/38/34/16/687383416.db2.gz DXQRVMOKVHLJAL-OLZOCXBDSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000882515390 687383422 /nfs/dbraw/zinc/38/34/22/687383422.db2.gz DXQRVMOKVHLJAL-OLZOCXBDSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884953478 687973065 /nfs/dbraw/zinc/97/30/65/687973065.db2.gz ZJNODITXSJTOOC-VXGBXAGGSA-N 1 1 373.862 2.462 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cccc([N+](=O)[O-])c1Cl ZINC000885886060 688178331 /nfs/dbraw/zinc/17/83/31/688178331.db2.gz RACQFDYTCZNXNW-LBPRGKRZSA-N 1 1 353.806 2.231 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000888283668 688577100 /nfs/dbraw/zinc/57/71/00/688577100.db2.gz XBCIDGBZOSAYHZ-NEPJUHHUSA-N 1 1 370.837 2.475 20 5 FEBDMO C[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895244924 689683142 /nfs/dbraw/zinc/68/31/42/689683142.db2.gz ATKKDTRDWLNFDV-ZWNOBZJWSA-N 1 1 357.252 2.404 20 5 FEBDMO CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC[N@@H+](C)CC1 ZINC000897096217 689974581 /nfs/dbraw/zinc/97/45/81/689974581.db2.gz ACOKYVNCHCLSFJ-UHFFFAOYSA-N 1 1 357.252 2.041 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1F ZINC000906200409 691241311 /nfs/dbraw/zinc/24/13/11/691241311.db2.gz GGSAEUMNJADQME-KBPBESRZSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1F ZINC000906200409 691241315 /nfs/dbraw/zinc/24/13/15/691241315.db2.gz GGSAEUMNJADQME-KBPBESRZSA-N 1 1 353.419 2.352 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906596201 691289429 /nfs/dbraw/zinc/28/94/29/691289429.db2.gz CRSREVFXDVEEES-CQSZACIVSA-N 1 1 369.849 2.408 20 5 FEBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907589609 691523424 /nfs/dbraw/zinc/52/34/24/691523424.db2.gz UONJHSAICDGNII-SNVBAGLBSA-N 1 1 373.812 2.305 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907589609 691523428 /nfs/dbraw/zinc/52/34/28/691523428.db2.gz UONJHSAICDGNII-SNVBAGLBSA-N 1 1 373.812 2.305 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000908238650 691642502 /nfs/dbraw/zinc/64/25/02/691642502.db2.gz AORSWXQFCVHVPD-UHFFFAOYSA-N 1 1 360.817 2.001 20 5 FEBDMO CN(CCCNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000908238650 691642506 /nfs/dbraw/zinc/64/25/06/691642506.db2.gz AORSWXQFCVHVPD-UHFFFAOYSA-N 1 1 360.817 2.001 20 5 FEBDMO COc1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164726504 720375697 /nfs/dbraw/zinc/37/56/97/720375697.db2.gz OZWOXXFMYQUEAU-HOTGVXAUSA-N 1 1 355.398 2.247 20 5 FEBDMO Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164868325 721047754 /nfs/dbraw/zinc/04/77/54/721047754.db2.gz NTSWVYCIQFWWAO-IAGOWNOFSA-N 1 1 369.425 2.173 20 5 FEBDMO Cc1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164869241 721049566 /nfs/dbraw/zinc/04/95/66/721049566.db2.gz SRCUHQUYAKTOGJ-IAGOWNOFSA-N 1 1 369.425 2.173 20 5 FEBDMO CN(C)/C=C\c1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164769843 721296042 /nfs/dbraw/zinc/29/60/42/721296042.db2.gz OPBKPNGLLJOKRM-ALCCZGGFSA-N 1 1 357.458 2.444 20 5 FEBDMO O=[N+]([O-])c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164979172 722100593 /nfs/dbraw/zinc/10/05/93/722100593.db2.gz HGASRGJUXSEYSE-SJLPKXTDSA-N 1 1 369.425 2.112 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc(OC)c(F)cc3[N+](=O)[O-])[C@H]2C1 ZINC000550229312 674085779 /nfs/dbraw/zinc/08/57/79/674085779.db2.gz IAUITABJRRXTAI-JKSUJKDBSA-N 1 1 353.394 2.038 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000043149277 540092284 /nfs/dbraw/zinc/09/22/84/540092284.db2.gz AZWSVSQOIVGNMK-UHFFFAOYSA-N 1 1 363.462 2.442 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000043121997 540089819 /nfs/dbraw/zinc/08/98/19/540089819.db2.gz LBNXRBDUGDRSSY-HNNXBMFYSA-N 1 1 366.418 2.082 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1C ZINC000046036522 540238570 /nfs/dbraw/zinc/23/85/70/540238570.db2.gz LJAQDDOLCCSSBW-HUUCEWRRSA-N 1 1 353.444 2.117 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000046934907 540277392 /nfs/dbraw/zinc/27/73/92/540277392.db2.gz ULNNSGYFQVBXAL-OAHLLOKOSA-N 1 1 371.441 2.482 20 5 FEBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000046934908 540277430 /nfs/dbraw/zinc/27/74/30/540277430.db2.gz ULNNSGYFQVBXAL-HNNXBMFYSA-N 1 1 371.441 2.482 20 5 FEBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000046980836 540281695 /nfs/dbraw/zinc/28/16/95/540281695.db2.gz UGSVVFARBKRQHU-HNNXBMFYSA-N 1 1 371.441 2.482 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000051001840 540419564 /nfs/dbraw/zinc/41/95/64/540419564.db2.gz SSVKZRLJAQBPHA-AWEZNQCLSA-N 1 1 362.430 2.080 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000051001840 540419565 /nfs/dbraw/zinc/41/95/65/540419565.db2.gz SSVKZRLJAQBPHA-AWEZNQCLSA-N 1 1 362.430 2.080 20 5 FEBDMO COC(=O)CC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000060474104 541112941 /nfs/dbraw/zinc/11/29/41/541112941.db2.gz RQCSHKMQMNUCPB-UHFFFAOYSA-N 1 1 361.320 2.299 20 5 FEBDMO COC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000063513017 541172438 /nfs/dbraw/zinc/17/24/38/541172438.db2.gz OZZGNIJOEBFXSL-UHFFFAOYSA-N 1 1 371.393 2.259 20 5 FEBDMO COC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000063513017 541172441 /nfs/dbraw/zinc/17/24/41/541172441.db2.gz OZZGNIJOEBFXSL-UHFFFAOYSA-N 1 1 371.393 2.259 20 5 FEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000063724910 541181407 /nfs/dbraw/zinc/18/14/07/541181407.db2.gz UOFGKQUZLMSAKZ-UHFFFAOYSA-N 1 1 363.414 2.312 20 5 FEBDMO COC(=O)CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000064558924 541210783 /nfs/dbraw/zinc/21/07/83/541210783.db2.gz ZIRXQYHWYUQROG-UHFFFAOYSA-N 1 1 363.414 2.005 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000065639505 541250778 /nfs/dbraw/zinc/25/07/78/541250778.db2.gz SJQQHCAFHDMCBC-LLVKDONJSA-N 1 1 368.821 2.033 20 5 FEBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000066468251 541321914 /nfs/dbraw/zinc/32/19/14/541321914.db2.gz UPKYNBKYBWVGDQ-UHFFFAOYSA-N 1 1 366.487 2.427 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067105514 541418475 /nfs/dbraw/zinc/41/84/75/541418475.db2.gz SEWZPXSVDRFQIO-CYBMUJFWSA-N 1 1 363.414 2.360 20 5 FEBDMO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@H+]1CCCC[C@H]1C ZINC000067137133 541422525 /nfs/dbraw/zinc/42/25/25/541422525.db2.gz WBMNLXQEQCKGID-KGLIPLIRSA-N 1 1 372.429 2.168 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000067294142 541441518 /nfs/dbraw/zinc/44/15/18/541441518.db2.gz WSHYCTVZDOJRTM-UHFFFAOYSA-N 1 1 363.462 2.296 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000068257018 541568723 /nfs/dbraw/zinc/56/87/23/541568723.db2.gz VTHIAMPAOMPXFE-KRWDZBQOSA-N 1 1 371.441 2.128 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCCCC1 ZINC000068904237 541638973 /nfs/dbraw/zinc/63/89/73/541638973.db2.gz ZHWNSFLYISPEEY-UHFFFAOYSA-N 1 1 363.414 2.360 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000069064194 541653162 /nfs/dbraw/zinc/65/31/62/541653162.db2.gz YAPGHVQKXQRGGM-ZDUSSCGKSA-N 1 1 370.475 2.035 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000069382854 541681786 /nfs/dbraw/zinc/68/17/86/541681786.db2.gz WFIUDXSWYFLFCK-OAHLLOKOSA-N 1 1 362.386 2.169 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000071898730 541774599 /nfs/dbraw/zinc/77/45/99/541774599.db2.gz UHJZIMYMRCOIJT-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000072859027 541883248 /nfs/dbraw/zinc/88/32/48/541883248.db2.gz UFCSXYZGBVYYQV-GFCCVEGCSA-N 1 1 354.838 2.460 20 5 FEBDMO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072975841 541900215 /nfs/dbraw/zinc/90/02/15/541900215.db2.gz BGJBTBABWUIESR-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072975841 541900217 /nfs/dbraw/zinc/90/02/17/541900217.db2.gz BGJBTBABWUIESR-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc(F)c2F)CC1 ZINC000073251632 541935116 /nfs/dbraw/zinc/93/51/16/541935116.db2.gz WFTWQYXGUFBPNJ-UHFFFAOYSA-N 1 1 357.357 2.057 20 5 FEBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000801572558 674137065 /nfs/dbraw/zinc/13/70/65/674137065.db2.gz JOVMFPDBJNRYNP-MRXNPFEDSA-N 1 1 353.423 2.028 20 5 FEBDMO CN(CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1[N+](=O)[O-] ZINC000079350662 542513528 /nfs/dbraw/zinc/51/35/28/542513528.db2.gz YWZFTFYCFUFMDE-KRWDZBQOSA-N 1 1 368.437 2.422 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000089927033 542774026 /nfs/dbraw/zinc/77/40/26/542774026.db2.gz UTQUIRRSTUDQQP-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO O=C(NC1CC1)c1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090146266 542783382 /nfs/dbraw/zinc/78/33/82/542783382.db2.gz WNCWVPRTUFPTOC-HZPDHXFCSA-N 1 1 374.441 2.152 20 5 FEBDMO O=C(NC1CC1)c1ccc(NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000090146266 542783385 /nfs/dbraw/zinc/78/33/85/542783385.db2.gz WNCWVPRTUFPTOC-HZPDHXFCSA-N 1 1 374.441 2.152 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092664411 542879739 /nfs/dbraw/zinc/87/97/39/542879739.db2.gz FYIODXHNFPMMBK-IYBDPMFKSA-N 1 1 362.474 2.291 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092664411 542879743 /nfs/dbraw/zinc/87/97/43/542879743.db2.gz FYIODXHNFPMMBK-IYBDPMFKSA-N 1 1 362.474 2.291 20 5 FEBDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093813449 542941486 /nfs/dbraw/zinc/94/14/86/542941486.db2.gz LYJKPZRGZNHKPJ-GOSISDBHSA-N 1 1 358.398 2.380 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000102410351 543069214 /nfs/dbraw/zinc/06/92/14/543069214.db2.gz GIHMVEGLPBUAEN-HNNXBMFYSA-N 1 1 373.413 2.466 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000102345964 543065202 /nfs/dbraw/zinc/06/52/02/543065202.db2.gz BRRJBYHKZOFOQI-CQSZACIVSA-N 1 1 351.451 2.297 20 5 FEBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104664091 543136637 /nfs/dbraw/zinc/13/66/37/543136637.db2.gz MUZWZIXDMAKNMO-OAHLLOKOSA-N 1 1 358.398 2.345 20 5 FEBDMO CC(=O)N[C@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000104674659 543136966 /nfs/dbraw/zinc/13/69/66/543136966.db2.gz GBFBGKXBSYTZQM-HNNXBMFYSA-N 1 1 358.398 2.393 20 5 FEBDMO COc1cc[nH+]c(N2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000104720560 543139210 /nfs/dbraw/zinc/13/92/10/543139210.db2.gz HZOHRTGFDDAGRO-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO CCN1CCN([C@@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107369281 543267672 /nfs/dbraw/zinc/26/76/72/543267672.db2.gz GSXIQYPUSKMCBF-GOSISDBHSA-N 1 1 362.474 2.076 20 5 FEBDMO CCN1CCN([C@@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107369281 543267673 /nfs/dbraw/zinc/26/76/73/543267673.db2.gz GSXIQYPUSKMCBF-GOSISDBHSA-N 1 1 362.474 2.076 20 5 FEBDMO CNC(=O)[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000111267215 543390801 /nfs/dbraw/zinc/39/08/01/543390801.db2.gz IUWDCDGRTLMGIO-YPMHNXCESA-N 1 1 359.386 2.164 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000114378848 543511869 /nfs/dbraw/zinc/51/18/69/543511869.db2.gz CGBMNDPPDHWXKD-UHFFFAOYSA-N 1 1 354.476 2.112 20 5 FEBDMO CCC[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000114463522 543517768 /nfs/dbraw/zinc/51/77/68/543517768.db2.gz MSNFCPGSUMHHCN-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](CC)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000114726722 543533075 /nfs/dbraw/zinc/53/30/75/543533075.db2.gz NMLQEXNIUKKTTP-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)C[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000114726722 543533078 /nfs/dbraw/zinc/53/30/78/543533078.db2.gz NMLQEXNIUKKTTP-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114644930 543528011 /nfs/dbraw/zinc/52/80/11/543528011.db2.gz WGWHONQOYQLOEC-KRWDZBQOSA-N 1 1 371.441 2.271 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000115876323 543591884 /nfs/dbraw/zinc/59/18/84/543591884.db2.gz PPHMCCMRRGDDDS-SECBINFHSA-N 1 1 371.340 2.171 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123169500 543746277 /nfs/dbraw/zinc/74/62/77/543746277.db2.gz VCPUFUWLELWJAD-QWRGUYRKSA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123169500 543746279 /nfs/dbraw/zinc/74/62/79/543746279.db2.gz VCPUFUWLELWJAD-QWRGUYRKSA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000122419215 543707257 /nfs/dbraw/zinc/70/72/57/543707257.db2.gz ONSLHWDRQPCNMS-ZIAGYGMSSA-N 1 1 353.444 2.008 20 5 FEBDMO CC(C)[C@@H]([NH3+])CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000124412881 543819386 /nfs/dbraw/zinc/81/93/86/543819386.db2.gz WRJPIFQRBJQKFJ-VIFPVBQESA-N 1 1 356.231 2.163 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[N@H+]1C1CC1 ZINC000127570883 544000605 /nfs/dbraw/zinc/00/06/05/544000605.db2.gz XAECFSKCIYYATM-CABCVRRESA-N 1 1 373.457 2.052 20 5 FEBDMO COc1ccc(C[N@H+](C)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000129972739 544133750 /nfs/dbraw/zinc/13/37/50/544133750.db2.gz RMFGPRYXRLMQDA-KRWDZBQOSA-N 1 1 369.377 2.367 20 5 FEBDMO COc1ccc(C[N@@H+](C)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000129972739 544133753 /nfs/dbraw/zinc/13/37/53/544133753.db2.gz RMFGPRYXRLMQDA-KRWDZBQOSA-N 1 1 369.377 2.367 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000130714138 544161783 /nfs/dbraw/zinc/16/17/83/544161783.db2.gz WXGPSHKNHQIIFS-UHFFFAOYSA-N 1 1 373.251 2.035 20 5 FEBDMO CCC[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCOC ZINC000130933040 544171298 /nfs/dbraw/zinc/17/12/98/544171298.db2.gz BBWOMEMDVJIDNY-MRXNPFEDSA-N 1 1 367.421 2.236 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000132273275 544225080 /nfs/dbraw/zinc/22/50/80/544225080.db2.gz URUODEQLOLFBLO-WBVHZDCISA-N 1 1 371.441 2.303 20 5 FEBDMO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134503905 544310679 /nfs/dbraw/zinc/31/06/79/544310679.db2.gz SKQZAVXUVHBXMT-KRWDZBQOSA-N 1 1 357.410 2.467 20 5 FEBDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000134503905 544310680 /nfs/dbraw/zinc/31/06/80/544310680.db2.gz SKQZAVXUVHBXMT-KRWDZBQOSA-N 1 1 357.410 2.467 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)o2)cc1 ZINC000135536774 544351321 /nfs/dbraw/zinc/35/13/21/544351321.db2.gz SPHXBZJLNWLCRQ-UONOGXRCSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)o2)cc1 ZINC000135536774 544351323 /nfs/dbraw/zinc/35/13/23/544351323.db2.gz SPHXBZJLNWLCRQ-UONOGXRCSA-N 1 1 362.411 2.351 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000142017076 544415510 /nfs/dbraw/zinc/41/55/10/544415510.db2.gz WHOWJPDUMRYHON-ZDUSSCGKSA-N 1 1 363.414 2.312 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151388497 544536351 /nfs/dbraw/zinc/53/63/51/544536351.db2.gz QLHGGQVKCCXZES-CQSZACIVSA-N 1 1 355.460 2.279 20 5 FEBDMO CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000151172165 544513912 /nfs/dbraw/zinc/51/39/12/544513912.db2.gz BYHQTKOIGBXWHL-OAHLLOKOSA-N 1 1 357.414 2.162 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000152399213 544648185 /nfs/dbraw/zinc/64/81/85/544648185.db2.gz ADQJXQIRZWBYNS-UHFFFAOYSA-N 1 1 350.419 2.231 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(NCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000152606568 544673399 /nfs/dbraw/zinc/67/33/99/544673399.db2.gz HVVXZLKYZHDZBA-UHFFFAOYSA-N 1 1 370.475 2.131 20 5 FEBDMO CN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000153444121 544776748 /nfs/dbraw/zinc/77/67/48/544776748.db2.gz QQFRPTLHLLRWMR-MRXNPFEDSA-N 1 1 360.458 2.364 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182876690 327792084 /nfs/dbraw/zinc/79/20/84/327792084.db2.gz WGHMOKOMRKWMOM-YVEFUNNKSA-N 1 1 371.397 2.045 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000184885926 327887568 /nfs/dbraw/zinc/88/75/68/327887568.db2.gz OEMGUYREQASWQP-SJORKVTESA-N 1 1 363.458 2.079 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000187627655 328036790 /nfs/dbraw/zinc/03/67/90/328036790.db2.gz APWNDNUQTJIHSK-KGLIPLIRSA-N 1 1 364.446 2.142 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[N@@H+]1CCCOCC1 ZINC000188502932 328091349 /nfs/dbraw/zinc/09/13/49/328091349.db2.gz YQOXPUMOFDNJMI-UHFFFAOYSA-N 1 1 355.366 2.045 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NCC[N@H+]1CCCOCC1 ZINC000188502932 328091350 /nfs/dbraw/zinc/09/13/50/328091350.db2.gz YQOXPUMOFDNJMI-UHFFFAOYSA-N 1 1 355.366 2.045 20 5 FEBDMO CSc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000188687190 328104111 /nfs/dbraw/zinc/10/41/11/328104111.db2.gz XHKUJYZPFXIKSV-GFCCVEGCSA-N 1 1 367.471 2.234 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000189145599 328131136 /nfs/dbraw/zinc/13/11/36/328131136.db2.gz YWMRNZBJVUMNFA-LSDHHAIUSA-N 1 1 369.487 2.177 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c([N+](=O)[O-])c1 ZINC000189276756 328138720 /nfs/dbraw/zinc/13/87/20/328138720.db2.gz JCWAGBWQBWIZIU-WBMJQRKESA-N 1 1 351.403 2.289 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NCC[N@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000189949371 328177958 /nfs/dbraw/zinc/17/79/58/328177958.db2.gz SOHYEBIWYTYGTP-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO COc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000190672212 328223924 /nfs/dbraw/zinc/22/39/24/328223924.db2.gz ORGFCLULILNXAD-MRXNPFEDSA-N 1 1 358.394 2.401 20 5 FEBDMO CCc1nnc(C2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000190707751 328226453 /nfs/dbraw/zinc/22/64/53/328226453.db2.gz GHKPXZRTPXOFKE-LBPRGKRZSA-N 1 1 372.429 2.482 20 5 FEBDMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191322618 328260231 /nfs/dbraw/zinc/26/02/31/328260231.db2.gz CPOQBZUFFKUUDX-AWEZNQCLSA-N 1 1 350.419 2.132 20 5 FEBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191639428 328275151 /nfs/dbraw/zinc/27/51/51/328275151.db2.gz JTZPXSCDFIPYLA-LJQANCHMSA-N 1 1 361.442 2.357 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000191757429 328280276 /nfs/dbraw/zinc/28/02/76/328280276.db2.gz VHUFZMBVFOPRGM-CYBMUJFWSA-N 1 1 365.821 2.497 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000049944377 324687761 /nfs/dbraw/zinc/68/77/61/324687761.db2.gz CGRWSNOXTVAUCE-CQSZACIVSA-N 1 1 361.354 2.007 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000080504566 325134009 /nfs/dbraw/zinc/13/40/09/325134009.db2.gz BTNICGHZFWZNFF-KRWDZBQOSA-N 1 1 371.441 2.223 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000081068155 325157600 /nfs/dbraw/zinc/15/76/00/325157600.db2.gz OUMRUSVSQCJKMQ-AWEZNQCLSA-N 1 1 361.320 2.231 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116252610 326001801 /nfs/dbraw/zinc/00/18/01/326001801.db2.gz TZYRDPOQEQBJHN-SCLBCKFNSA-N 1 1 369.425 2.334 20 5 FEBDMO COCCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000116884761 326040092 /nfs/dbraw/zinc/04/00/92/326040092.db2.gz XJMWNTJROCTNGJ-CYBMUJFWSA-N 1 1 351.403 2.049 20 5 FEBDMO C[N@@H+](CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000118131751 326085014 /nfs/dbraw/zinc/08/50/14/326085014.db2.gz JGUPKZGVNLBGHD-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119099319 326126791 /nfs/dbraw/zinc/12/67/91/326126791.db2.gz UBBGKYUURTYKAT-UHFFFAOYSA-N 1 1 372.834 2.464 20 5 FEBDMO C[C@@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)CS(C)(=O)=O ZINC000119483220 326167650 /nfs/dbraw/zinc/16/76/50/326167650.db2.gz UAPAHVSWNOGFLX-ZDUSSCGKSA-N 1 1 356.444 2.119 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000119673995 326186885 /nfs/dbraw/zinc/18/68/85/326186885.db2.gz OOANDANJAQGHML-LBPRGKRZSA-N 1 1 350.375 2.211 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCOCC1 ZINC000121376484 326333493 /nfs/dbraw/zinc/33/34/93/326333493.db2.gz WNXWSIPYXBRTMQ-QGZVFWFLSA-N 1 1 372.425 2.230 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000121934601 326376938 /nfs/dbraw/zinc/37/69/38/326376938.db2.gz JDYXVKRSWFSBHG-UHFFFAOYSA-N 1 1 358.398 2.188 20 5 FEBDMO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000151690679 326688747 /nfs/dbraw/zinc/68/87/47/326688747.db2.gz DBACABXBLWPASE-GFCCVEGCSA-N 1 1 369.368 2.057 20 5 FEBDMO Cc1c(CC(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000160196609 326956932 /nfs/dbraw/zinc/95/69/32/326956932.db2.gz BJXQETOJYCTVEE-UHFFFAOYSA-N 1 1 363.458 2.263 20 5 FEBDMO CN(CC(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1[N+](=O)[O-] ZINC000162588695 327029331 /nfs/dbraw/zinc/02/93/31/327029331.db2.gz RUDSARGVYLSJDE-UHFFFAOYSA-N 1 1 371.441 2.246 20 5 FEBDMO O=C([C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000163284922 327047790 /nfs/dbraw/zinc/04/77/90/327047790.db2.gz NCWQCTOONCYJDL-CYBMUJFWSA-N 1 1 367.833 2.319 20 5 FEBDMO O=C([C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000163284922 327047792 /nfs/dbraw/zinc/04/77/92/327047792.db2.gz NCWQCTOONCYJDL-CYBMUJFWSA-N 1 1 367.833 2.319 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000172299394 327193905 /nfs/dbraw/zinc/19/39/05/327193905.db2.gz YCLVCFCCKCSARO-WFASDCNBSA-N 1 1 362.386 2.179 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](OCCO)C1 ZINC000172299394 327193906 /nfs/dbraw/zinc/19/39/06/327193906.db2.gz YCLVCFCCKCSARO-WFASDCNBSA-N 1 1 362.386 2.179 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173590886 327269509 /nfs/dbraw/zinc/26/95/09/327269509.db2.gz PYXLCYUSCKGPCB-CQSZACIVSA-N 1 1 365.430 2.220 20 5 FEBDMO COc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000173669951 327275324 /nfs/dbraw/zinc/27/53/24/327275324.db2.gz KGRGERXCAWANCY-ZDUSSCGKSA-N 1 1 371.459 2.098 20 5 FEBDMO CSc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000174195421 327312005 /nfs/dbraw/zinc/31/20/05/327312005.db2.gz ZTHPGPJSMCWQBX-ZDUSSCGKSA-N 1 1 365.455 2.111 20 5 FEBDMO CCc1ccc(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000174230825 327314548 /nfs/dbraw/zinc/31/45/48/327314548.db2.gz ZFEYTZLSKACHLS-OAHLLOKOSA-N 1 1 362.474 2.161 20 5 FEBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)CC23CCCCC3)c(C)c1[N+](=O)[O-] ZINC000174567382 327335484 /nfs/dbraw/zinc/33/54/84/327335484.db2.gz SPWXNIDNKYNOHI-UHFFFAOYSA-N 1 1 363.462 2.275 20 5 FEBDMO CNC(=O)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000175027572 327368976 /nfs/dbraw/zinc/36/89/76/327368976.db2.gz RXMWELUGOBRLNH-ZDUSSCGKSA-N 1 1 362.430 2.078 20 5 FEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1N)C2 ZINC000175059824 327371470 /nfs/dbraw/zinc/37/14/70/327371470.db2.gz NWPJHXLLUKDGEO-QWHCGFSZSA-N 1 1 350.394 2.403 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)s1 ZINC000261621416 328806364 /nfs/dbraw/zinc/80/63/64/328806364.db2.gz DKWOXYKNLSXUOL-GFCCVEGCSA-N 1 1 371.415 2.131 20 5 FEBDMO C[N@@H+](CCO)C1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000264417616 329020580 /nfs/dbraw/zinc/02/05/80/329020580.db2.gz YWSFQQLUBWLBOH-UHFFFAOYSA-N 1 1 374.441 2.181 20 5 FEBDMO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000264624414 329041999 /nfs/dbraw/zinc/04/19/99/329041999.db2.gz VSGFVQQDFFVDGX-UHFFFAOYSA-N 1 1 357.414 2.059 20 5 FEBDMO CCCc1n[nH]c(C(=O)NCC[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000264624414 329042001 /nfs/dbraw/zinc/04/20/01/329042001.db2.gz VSGFVQQDFFVDGX-UHFFFAOYSA-N 1 1 357.414 2.059 20 5 FEBDMO CCc1cc(NC[C@H]2C[N@@H+](C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264802246 329062399 /nfs/dbraw/zinc/06/23/99/329062399.db2.gz UURPARBTXCEAHI-KRWDZBQOSA-N 1 1 370.457 2.272 20 5 FEBDMO CCc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264802246 329062403 /nfs/dbraw/zinc/06/24/03/329062403.db2.gz UURPARBTXCEAHI-KRWDZBQOSA-N 1 1 370.457 2.272 20 5 FEBDMO CCc1cc(NC[C@H]2CN(C)CC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264802246 329062404 /nfs/dbraw/zinc/06/24/04/329062404.db2.gz UURPARBTXCEAHI-KRWDZBQOSA-N 1 1 370.457 2.272 20 5 FEBDMO COc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000265220317 329103549 /nfs/dbraw/zinc/10/35/49/329103549.db2.gz KOEUWTXCBNOZLC-CQSZACIVSA-N 1 1 350.419 2.087 20 5 FEBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000265524840 329135923 /nfs/dbraw/zinc/13/59/23/329135923.db2.gz UHTMCAKJJSRXBP-JTQLQIEISA-N 1 1 374.344 2.038 20 5 FEBDMO COc1cc(C[N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)ccc1O ZINC000266908274 329271578 /nfs/dbraw/zinc/27/15/78/329271578.db2.gz ILJHZTSFZMATQJ-HNNXBMFYSA-N 1 1 362.382 2.181 20 5 FEBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000266953852 329276410 /nfs/dbraw/zinc/27/64/10/329276410.db2.gz WSWCXKATTUBZLT-CYBMUJFWSA-N 1 1 364.402 2.004 20 5 FEBDMO CN(C)c1[nH+]cc(CNc2ncc([N+](=O)[O-])cc2Br)n1C ZINC000267221946 329303840 /nfs/dbraw/zinc/30/38/40/329303840.db2.gz JGBKCAPUXPSKIF-UHFFFAOYSA-N 1 1 355.196 2.164 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267411657 329324637 /nfs/dbraw/zinc/32/46/37/329324637.db2.gz KOGCKRGXPPWGIV-DOMZBBRYSA-N 1 1 357.414 2.267 20 5 FEBDMO COc1cc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000271061340 329658297 /nfs/dbraw/zinc/65/82/97/329658297.db2.gz XNLJUSJEBUMZRD-UHFFFAOYSA-N 1 1 365.430 2.349 20 5 FEBDMO CC(C)c1ccc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)cc1[N+](=O)[O-] ZINC000275777304 330087576 /nfs/dbraw/zinc/08/75/76/330087576.db2.gz AEOUOYXDIWPDRZ-UHFFFAOYSA-N 1 1 357.414 2.414 20 5 FEBDMO CCOCCOCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000276212318 330129877 /nfs/dbraw/zinc/12/98/77/330129877.db2.gz HUPIKZIQWGGMDA-UHFFFAOYSA-N 1 1 353.419 2.217 20 5 FEBDMO O=C(NCCC[NH+]1CCOCC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294215268 330193305 /nfs/dbraw/zinc/19/33/05/330193305.db2.gz JUDKPYXTHCXDHZ-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000367202208 330229406 /nfs/dbraw/zinc/22/94/06/330229406.db2.gz SQCLLWFXKJAECN-AWEZNQCLSA-N 1 1 355.398 2.091 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000411390706 330257293 /nfs/dbraw/zinc/25/72/93/330257293.db2.gz ARCOFNQLPFOQIT-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433183692 330275364 /nfs/dbraw/zinc/27/53/64/330275364.db2.gz UYHOFGSMQHOVLQ-ZDUSSCGKSA-N 1 1 353.444 2.377 20 5 FEBDMO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433183692 330275365 /nfs/dbraw/zinc/27/53/65/330275365.db2.gz UYHOFGSMQHOVLQ-ZDUSSCGKSA-N 1 1 353.444 2.377 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000156641175 545642176 /nfs/dbraw/zinc/64/21/76/545642176.db2.gz XUIWGSFLUGDNSF-CJNGLKHVSA-N 1 1 354.410 2.427 20 5 FEBDMO Cc1ccc(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1[N+](=O)[O-] ZINC000157624930 545763422 /nfs/dbraw/zinc/76/34/22/545763422.db2.gz FUHRAJBUCSFLJI-UHFFFAOYSA-N 1 1 350.419 2.214 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000159728771 545975995 /nfs/dbraw/zinc/97/59/95/545975995.db2.gz GPLLIRVXLGXMLF-MRXNPFEDSA-N 1 1 371.393 2.365 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000161447995 546130439 /nfs/dbraw/zinc/13/04/39/546130439.db2.gz AMQMVKGEGPDNQN-UHFFFAOYSA-N 1 1 369.487 2.321 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175859942 546363891 /nfs/dbraw/zinc/36/38/91/546363891.db2.gz PJGLATFFRCRKPV-AWEZNQCLSA-N 1 1 352.435 2.232 20 5 FEBDMO C[N@@H+](CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000176374640 546437414 /nfs/dbraw/zinc/43/74/14/546437414.db2.gz KMOBXPZJEGXDBU-UHFFFAOYSA-N 1 1 363.439 2.395 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000176468379 546451319 /nfs/dbraw/zinc/45/13/19/546451319.db2.gz KYJWNYZVMIJUOH-AWEZNQCLSA-N 1 1 364.446 2.381 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000176725362 546480703 /nfs/dbraw/zinc/48/07/03/546480703.db2.gz HMDALMBJVJMJOL-LBPRGKRZSA-N 1 1 371.846 2.191 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000176872818 546499527 /nfs/dbraw/zinc/49/95/27/546499527.db2.gz UUDKYDGNMVDGJE-OAHLLOKOSA-N 1 1 363.462 2.284 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000481056120 561223970 /nfs/dbraw/zinc/22/39/70/561223970.db2.gz IKVNJJWVTPXUKX-CQSZACIVSA-N 1 1 355.460 2.364 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000177861069 546698184 /nfs/dbraw/zinc/69/81/84/546698184.db2.gz PODNJSQWVSXVFI-CYBMUJFWSA-N 1 1 350.419 2.087 20 5 FEBDMO CC(C)C[C@H](CO)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000481402501 561232071 /nfs/dbraw/zinc/23/20/71/561232071.db2.gz JWVFJHFYUNRVCP-CQSZACIVSA-N 1 1 351.403 2.232 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000179658914 546992845 /nfs/dbraw/zinc/99/28/45/546992845.db2.gz TXUXZPHYXLEPTO-MRXNPFEDSA-N 1 1 371.441 2.455 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000179658914 546992846 /nfs/dbraw/zinc/99/28/46/546992846.db2.gz TXUXZPHYXLEPTO-MRXNPFEDSA-N 1 1 371.441 2.455 20 5 FEBDMO CC(=O)N1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000179809998 547015727 /nfs/dbraw/zinc/01/57/27/547015727.db2.gz YZRVNYNWOBUHOH-UHFFFAOYSA-N 1 1 357.414 2.050 20 5 FEBDMO Cc1nn(CCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000180177915 547064391 /nfs/dbraw/zinc/06/43/91/547064391.db2.gz WYIMCYLKOWKCMV-VQIMIIECSA-N 1 1 371.441 2.360 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccco1 ZINC000180533521 547125562 /nfs/dbraw/zinc/12/55/62/547125562.db2.gz SANKUKVEXUZFLU-NVXWUHKLSA-N 1 1 372.381 2.100 20 5 FEBDMO CS(=O)(=O)C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181793146 547381956 /nfs/dbraw/zinc/38/19/56/547381956.db2.gz OHCDTEIIBNRUQF-OAHLLOKOSA-N 1 1 364.423 2.349 20 5 FEBDMO C[N@@H+](CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000183749842 547712685 /nfs/dbraw/zinc/71/26/85/547712685.db2.gz OORIJOBYFDVHAH-UHFFFAOYSA-N 1 1 370.475 2.309 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000183785326 547719473 /nfs/dbraw/zinc/71/94/73/547719473.db2.gz UZCJVMKWUPATGX-CYBMUJFWSA-N 1 1 370.475 2.166 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CCN1CC[NH+](C)CC1 ZINC000183894264 547735392 /nfs/dbraw/zinc/73/53/92/547735392.db2.gz QBJDOGSCQZPBPH-UHFFFAOYSA-N 1 1 363.462 2.441 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000184183576 547783387 /nfs/dbraw/zinc/78/33/87/547783387.db2.gz SRXZTBJYVGAIHC-UHFFFAOYSA-N 1 1 368.865 2.394 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000184316255 547806810 /nfs/dbraw/zinc/80/68/10/547806810.db2.gz ASDZQEZUJUDGJN-LBPRGKRZSA-N 1 1 354.838 2.004 20 5 FEBDMO CC[N@@H+](CCO)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000184620397 547855332 /nfs/dbraw/zinc/85/53/32/547855332.db2.gz QXXOBKHBUOUNFI-UHFFFAOYSA-N 1 1 364.324 2.049 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C1CC1 ZINC000186417945 548132394 /nfs/dbraw/zinc/13/23/94/548132394.db2.gz DUULUDRIIDBPSU-QGZVFWFLSA-N 1 1 369.425 2.411 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000485941607 561332912 /nfs/dbraw/zinc/33/29/12/561332912.db2.gz BKCSXPVSHUDZFG-LBPRGKRZSA-N 1 1 365.455 2.300 20 5 FEBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-] ZINC000486020587 561335483 /nfs/dbraw/zinc/33/54/83/561335483.db2.gz VAMOVTVKQRNNHH-MRXNPFEDSA-N 1 1 360.458 2.114 20 5 FEBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-] ZINC000486020587 561335484 /nfs/dbraw/zinc/33/54/84/561335484.db2.gz VAMOVTVKQRNNHH-MRXNPFEDSA-N 1 1 360.458 2.114 20 5 FEBDMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186916838 548218056 /nfs/dbraw/zinc/21/80/56/548218056.db2.gz QZYYLPLACIGQKF-OAHLLOKOSA-N 1 1 356.382 2.090 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000194146060 548440682 /nfs/dbraw/zinc/44/06/82/548440682.db2.gz JMPXEPRDGNGGPI-CQSZACIVSA-N 1 1 365.430 2.145 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000487072511 561362868 /nfs/dbraw/zinc/36/28/68/561362868.db2.gz CQSCXHJIWZOUCF-OAHLLOKOSA-N 1 1 350.419 2.085 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000245446411 548924379 /nfs/dbraw/zinc/92/43/79/548924379.db2.gz ZTZABZHEAQMNDO-WMLDXEAASA-N 1 1 360.458 2.146 20 5 FEBDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000245463608 548927395 /nfs/dbraw/zinc/92/73/95/548927395.db2.gz HGEWRRHFWOFNOM-OWCLPIDISA-N 1 1 354.451 2.068 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245540778 548942170 /nfs/dbraw/zinc/94/21/70/548942170.db2.gz IOWWPAVPKHHNLP-WOSRLPQWSA-N 1 1 365.430 2.413 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246040420 549039814 /nfs/dbraw/zinc/03/98/14/549039814.db2.gz BEYHNCIJTFMTJK-GXTWGEPZSA-N 1 1 355.460 2.260 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246065319 549044735 /nfs/dbraw/zinc/04/47/35/549044735.db2.gz DPKORCGBQZHCGC-YPMHNXCESA-N 1 1 373.862 2.496 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000246155862 549064905 /nfs/dbraw/zinc/06/49/05/549064905.db2.gz LGKKFYTUJMGATM-KGLIPLIRSA-N 1 1 353.444 2.151 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]2N1C1CC1 ZINC000246315532 549103125 /nfs/dbraw/zinc/10/31/25/549103125.db2.gz RDTHLMPPGDIVHE-GOEBONIOSA-N 1 1 359.426 2.449 20 5 FEBDMO CCOC(=O)c1ccnc(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488724856 561395446 /nfs/dbraw/zinc/39/54/46/561395446.db2.gz ZQCOVAQKPRRWNH-UMVBOHGHSA-N 1 1 362.430 2.333 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000246716538 549194341 /nfs/dbraw/zinc/19/43/41/549194341.db2.gz KAAFBOIETJKBFS-HOCLYGCPSA-N 1 1 374.441 2.175 20 5 FEBDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488805528 561397402 /nfs/dbraw/zinc/39/74/02/561397402.db2.gz XTPLLVJRHHCTFG-CRAIPNDOSA-N 1 1 360.414 2.170 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000246824023 549221861 /nfs/dbraw/zinc/22/18/61/549221861.db2.gz BIBNLXLYNYYQCM-OCCSQVGLSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247324558 549318664 /nfs/dbraw/zinc/31/86/64/549318664.db2.gz IIAVQJLWRMOHTP-MFKMUULPSA-N 1 1 350.375 2.224 20 5 FEBDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000248292269 549418719 /nfs/dbraw/zinc/41/87/19/549418719.db2.gz WVVFGPBTSMKMKC-OCCSQVGLSA-N 1 1 365.459 2.181 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248372459 549423642 /nfs/dbraw/zinc/42/36/42/549423642.db2.gz ZZGGNBJNVKALFN-KBPBESRZSA-N 1 1 355.460 2.315 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000248678550 549483236 /nfs/dbraw/zinc/48/32/36/549483236.db2.gz UXODXLKRVJRREQ-HIFRSBDPSA-N 1 1 357.414 2.062 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000248930884 549527736 /nfs/dbraw/zinc/52/77/36/549527736.db2.gz XUIWGSFLUGDNSF-XJKSGUPXSA-N 1 1 354.410 2.427 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000248964928 549532401 /nfs/dbraw/zinc/53/24/01/549532401.db2.gz BOFLMXSIBVZFSL-NEPJUHHUSA-N 1 1 359.423 2.133 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000249144749 549560631 /nfs/dbraw/zinc/56/06/31/549560631.db2.gz ZWYSJLWFCFYQME-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000249151151 549561067 /nfs/dbraw/zinc/56/10/67/549561067.db2.gz HGJGFCKTYBRWGI-KBPBESRZSA-N 1 1 355.460 2.135 20 5 FEBDMO COc1cc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000249160136 549563130 /nfs/dbraw/zinc/56/31/30/549563130.db2.gz ZOYXHHVRZOJCHP-STQMWFEESA-N 1 1 371.459 2.002 20 5 FEBDMO CC[C@@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000249571003 549605666 /nfs/dbraw/zinc/60/56/66/549605666.db2.gz OGOHXCYOHPNHDD-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000249571003 549605669 /nfs/dbraw/zinc/60/56/69/549605669.db2.gz OGOHXCYOHPNHDD-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000249800399 549628622 /nfs/dbraw/zinc/62/86/22/549628622.db2.gz CIJPQYKGKGXPQO-HIFRSBDPSA-N 1 1 362.430 2.078 20 5 FEBDMO CC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000249800399 549628625 /nfs/dbraw/zinc/62/86/25/549628625.db2.gz CIJPQYKGKGXPQO-HIFRSBDPSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000252222047 549663352 /nfs/dbraw/zinc/66/33/52/549663352.db2.gz ZHPORMUHSNDKGG-UONOGXRCSA-N 1 1 372.429 2.026 20 5 FEBDMO CCN1CC[NH+](CCCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268466479 550070598 /nfs/dbraw/zinc/07/05/98/550070598.db2.gz GPHDAVUFIOVQNE-UHFFFAOYSA-N 1 1 372.267 2.192 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000268903530 550129535 /nfs/dbraw/zinc/12/95/35/550129535.db2.gz XIXSSMFLWDHXIF-UHFFFAOYSA-N 1 1 352.416 2.085 20 5 FEBDMO CS[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270637732 550291699 /nfs/dbraw/zinc/29/16/99/550291699.db2.gz IFRPFJXFYYHMTH-JKSUJKDBSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000270637732 550291702 /nfs/dbraw/zinc/29/17/02/550291702.db2.gz IFRPFJXFYYHMTH-JKSUJKDBSA-N 1 1 366.487 2.209 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)n1 ZINC000494005733 561460742 /nfs/dbraw/zinc/46/07/42/561460742.db2.gz CGQCXFHXIGIFNP-HIFRSBDPSA-N 1 1 357.414 2.204 20 5 FEBDMO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270812985 550309903 /nfs/dbraw/zinc/30/99/03/550309903.db2.gz WUWXAELTSSHLSS-YPMHNXCESA-N 1 1 350.329 2.103 20 5 FEBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@@H]1c1ccc(F)c(F)c1 ZINC000270812985 550309904 /nfs/dbraw/zinc/30/99/04/550309904.db2.gz WUWXAELTSSHLSS-YPMHNXCESA-N 1 1 350.329 2.103 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000270973279 550327207 /nfs/dbraw/zinc/32/72/07/550327207.db2.gz UFJWCUZTDJEDLX-HIFRSBDPSA-N 1 1 357.414 2.111 20 5 FEBDMO COc1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000271318279 550364225 /nfs/dbraw/zinc/36/42/25/550364225.db2.gz YETYCMWSYWWOQR-WBMJQRKESA-N 1 1 354.428 2.318 20 5 FEBDMO COc1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000271318279 550364227 /nfs/dbraw/zinc/36/42/27/550364227.db2.gz YETYCMWSYWWOQR-WBMJQRKESA-N 1 1 354.428 2.318 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000271337672 550366375 /nfs/dbraw/zinc/36/63/75/550366375.db2.gz ZVODZRARDBJFLQ-IBGZPJMESA-N 1 1 367.453 2.386 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)nc1 ZINC000271337673 550366417 /nfs/dbraw/zinc/36/64/17/550366417.db2.gz ZVODZRARDBJFLQ-LJQANCHMSA-N 1 1 367.453 2.386 20 5 FEBDMO CN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000271435664 550375119 /nfs/dbraw/zinc/37/51/19/550375119.db2.gz SJQSVTGYTGGKOG-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000272262675 550432182 /nfs/dbraw/zinc/43/21/82/550432182.db2.gz AVIMHEJZYXSGQR-ZBEGNZNMSA-N 1 1 356.382 2.015 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272324370 550437894 /nfs/dbraw/zinc/43/78/94/550437894.db2.gz MIJWYXFLTDCPNT-YOEHRIQHSA-N 1 1 371.441 2.127 20 5 FEBDMO COc1cc(CN2CCC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272337638 550439033 /nfs/dbraw/zinc/43/90/33/550439033.db2.gz XYEWDBPOPIAULU-UHFFFAOYSA-N 1 1 359.373 2.385 20 5 FEBDMO COC(=O)c1ccc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000272891307 550475609 /nfs/dbraw/zinc/47/56/09/550475609.db2.gz AQGWFQPJXVQKGX-INIZCTEOSA-N 1 1 374.393 2.253 20 5 FEBDMO COc1ccc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1O ZINC000273092526 550484695 /nfs/dbraw/zinc/48/46/95/550484695.db2.gz BJARRIOMSMOGKX-AWEZNQCLSA-N 1 1 362.382 2.181 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000273374915 550496180 /nfs/dbraw/zinc/49/61/80/550496180.db2.gz HMRMGHSTICEIFR-TXEJJXNPSA-N 1 1 354.382 2.355 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000273917091 550515789 /nfs/dbraw/zinc/51/57/89/550515789.db2.gz JHTIKUIHSWQJMJ-UHFFFAOYSA-N 1 1 359.835 2.097 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000277433135 550669853 /nfs/dbraw/zinc/66/98/53/550669853.db2.gz GMWIIMVDMYVOJD-GFCCVEGCSA-N 1 1 355.822 2.479 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277492547 550676954 /nfs/dbraw/zinc/67/69/54/550676954.db2.gz NVFUBVHTAWGPNW-OAHLLOKOSA-N 1 1 353.444 2.031 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000278632095 550806130 /nfs/dbraw/zinc/80/61/30/550806130.db2.gz OGTYKEJZQQXTJH-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000278632092 550806198 /nfs/dbraw/zinc/80/61/98/550806198.db2.gz OGTYKEJZQQXTJH-MNOVXSKESA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495251537 561485626 /nfs/dbraw/zinc/48/56/26/561485626.db2.gz WKCZGMUXPRNYPS-ACJLOTCBSA-N 1 1 363.414 2.376 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[N@H+]1C1CC1 ZINC000279367793 550882122 /nfs/dbraw/zinc/88/21/22/550882122.db2.gz GQNPVIXWTSRQPC-MNOVXSKESA-N 1 1 350.394 2.155 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280649995 551017385 /nfs/dbraw/zinc/01/73/85/551017385.db2.gz SKAUGSIOZAIBKL-IYBDPMFKSA-N 1 1 366.421 2.381 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281075441 551060942 /nfs/dbraw/zinc/06/09/42/551060942.db2.gz UBKZRJRZDATZPK-IAGOWNOFSA-N 1 1 373.409 2.021 20 5 FEBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281135910 551067133 /nfs/dbraw/zinc/06/71/33/551067133.db2.gz JDYMPHOFXZHRSG-SECBINFHSA-N 1 1 365.814 2.102 20 5 FEBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281135910 551067135 /nfs/dbraw/zinc/06/71/35/551067135.db2.gz JDYMPHOFXZHRSG-SECBINFHSA-N 1 1 365.814 2.102 20 5 FEBDMO Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281342918 551086844 /nfs/dbraw/zinc/08/68/44/551086844.db2.gz KAKCGKWZFMXDIJ-GDBMZVCRSA-N 1 1 360.414 2.295 20 5 FEBDMO Cn1nccc1[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281342918 551086846 /nfs/dbraw/zinc/08/68/46/551086846.db2.gz KAKCGKWZFMXDIJ-GDBMZVCRSA-N 1 1 360.414 2.295 20 5 FEBDMO COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281894510 551154631 /nfs/dbraw/zinc/15/46/31/551154631.db2.gz BDHFHVFOSKPTNH-DCGLDWPTSA-N 1 1 361.398 2.197 20 5 FEBDMO CS(=O)(=O)c1cccc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000497515069 561502915 /nfs/dbraw/zinc/50/29/15/561502915.db2.gz HWSFEJXRZIWHMK-ZDUSSCGKSA-N 1 1 353.444 2.063 20 5 FEBDMO CCOCC[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)CC1 ZINC000283874948 551441950 /nfs/dbraw/zinc/44/19/50/551441950.db2.gz HYNFWJQKUNZRRK-UHFFFAOYSA-N 1 1 374.445 2.032 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000284780167 551631403 /nfs/dbraw/zinc/63/14/03/551631403.db2.gz UMFAUBCCBWQICX-PHIMTYICSA-N 1 1 368.231 2.299 20 5 FEBDMO O=c1cc(C[N@@H+]2CC[C@](O)(c3cn[nH]n3)C2)c2c(ccc3ccccc32)o1 ZINC000284889167 551659301 /nfs/dbraw/zinc/65/93/01/551659301.db2.gz SYASCDSKXSGOTO-HXUWFJFHSA-N 1 1 362.389 2.158 20 5 FEBDMO O=c1cc(C[N@H+]2CC[C@](O)(c3c[nH]nn3)C2)c2c(ccc3ccccc32)o1 ZINC000284889167 551659302 /nfs/dbraw/zinc/65/93/02/551659302.db2.gz SYASCDSKXSGOTO-HXUWFJFHSA-N 1 1 362.389 2.158 20 5 FEBDMO O=c1cc(C[N@@H+]2CC[C@](O)(c3c[nH]nn3)C2)c2c(ccc3ccccc32)o1 ZINC000284889167 551659304 /nfs/dbraw/zinc/65/93/04/551659304.db2.gz SYASCDSKXSGOTO-HXUWFJFHSA-N 1 1 362.389 2.158 20 5 FEBDMO CCOC1CC2(C1)CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000285560399 551774747 /nfs/dbraw/zinc/77/47/47/551774747.db2.gz SMZIIYJGWGCNSH-ZLPCBKJTSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000285888046 551823578 /nfs/dbraw/zinc/82/35/78/551823578.db2.gz JVSLXEFWAMOBBU-ZMSDIMECSA-N 1 1 352.431 2.350 20 5 FEBDMO CC[N@H+]1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C1 ZINC000288330720 552134500 /nfs/dbraw/zinc/13/45/00/552134500.db2.gz IGEJQYQLKSTAOY-HNNXBMFYSA-N 1 1 360.458 2.364 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288573674 552177400 /nfs/dbraw/zinc/17/74/00/552177400.db2.gz BMJNBKNUCPDLHC-AWEZNQCLSA-N 1 1 372.377 2.208 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288573674 552177401 /nfs/dbraw/zinc/17/74/01/552177401.db2.gz BMJNBKNUCPDLHC-AWEZNQCLSA-N 1 1 372.377 2.208 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000288735231 552203262 /nfs/dbraw/zinc/20/32/62/552203262.db2.gz FFPFNKGNYQJQGC-OAHLLOKOSA-N 1 1 372.377 2.208 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000288735231 552203264 /nfs/dbraw/zinc/20/32/64/552203264.db2.gz FFPFNKGNYQJQGC-OAHLLOKOSA-N 1 1 372.377 2.208 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000500155192 561566920 /nfs/dbraw/zinc/56/69/20/561566920.db2.gz JHMOEGSINZKQKH-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO CCOC(=O)c1cc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc([N+](=O)[O-])c1 ZINC000500410667 561572132 /nfs/dbraw/zinc/57/21/32/561572132.db2.gz OEYIJBHRGCVSGJ-UHFFFAOYSA-N 1 1 358.354 2.485 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000290315568 552459063 /nfs/dbraw/zinc/45/90/63/552459063.db2.gz GKJFGJOZNYIBFQ-GFCCVEGCSA-N 1 1 350.419 2.078 20 5 FEBDMO C[C@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000290539490 552495263 /nfs/dbraw/zinc/49/52/63/552495263.db2.gz DYRYQYCZHSHPBG-JSGCOSHPSA-N 1 1 355.398 2.164 20 5 FEBDMO CC(=O)NC1CCC([N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000501008788 561587660 /nfs/dbraw/zinc/58/76/60/561587660.db2.gz VPGNOUPHYNZVNZ-UHFFFAOYSA-N 1 1 362.430 2.303 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291085022 552585314 /nfs/dbraw/zinc/58/53/14/552585314.db2.gz HBCSRJBXHBQBBG-AWEZNQCLSA-N 1 1 353.423 2.026 20 5 FEBDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000291262850 552607606 /nfs/dbraw/zinc/60/76/06/552607606.db2.gz XEQGBSCIYUSLAF-UBDQQSCGSA-N 1 1 363.458 2.408 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000291615385 552643540 /nfs/dbraw/zinc/64/35/40/552643540.db2.gz BOKSTHRURHZFCY-OAHLLOKOSA-N 1 1 373.862 2.273 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292060335 552689303 /nfs/dbraw/zinc/68/93/03/552689303.db2.gz OPJGGSYYVGGMDZ-AWEZNQCLSA-N 1 1 367.471 2.231 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292097332 552693539 /nfs/dbraw/zinc/69/35/39/552693539.db2.gz TZUOIGOOILZVCG-LBPRGKRZSA-N 1 1 371.434 2.229 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)C1 ZINC000501486806 561598533 /nfs/dbraw/zinc/59/85/33/561598533.db2.gz VESOKULBKTXKAR-CYBMUJFWSA-N 1 1 373.413 2.301 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000294014927 552875410 /nfs/dbraw/zinc/87/54/10/552875410.db2.gz YRDPUQCKEFENMY-LSDHHAIUSA-N 1 1 353.806 2.183 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295575119 553027749 /nfs/dbraw/zinc/02/77/49/553027749.db2.gz VFBNDEZJNLJXHL-ZDUSSCGKSA-N 1 1 365.430 2.415 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000295575119 553027751 /nfs/dbraw/zinc/02/77/51/553027751.db2.gz VFBNDEZJNLJXHL-ZDUSSCGKSA-N 1 1 365.430 2.415 20 5 FEBDMO CCN1CC[NH+]([C@@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)CC1 ZINC000297288902 553274221 /nfs/dbraw/zinc/27/42/21/553274221.db2.gz XWFCWMXZZKNECZ-QGZVFWFLSA-N 1 1 355.442 2.359 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000297768950 553336603 /nfs/dbraw/zinc/33/66/03/553336603.db2.gz LWEMOEKDNCUAMO-RISCZKNCSA-N 1 1 351.378 2.299 20 5 FEBDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297776002 553337422 /nfs/dbraw/zinc/33/74/22/553337422.db2.gz GKTGOOYTMQPEMB-OLZOCXBDSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000297923805 553358169 /nfs/dbraw/zinc/35/81/69/553358169.db2.gz QSAARPPZMVPUDA-CQSZACIVSA-N 1 1 362.430 2.141 20 5 FEBDMO O=C(C[NH+]1CCC(c2ccncn2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000298028227 553373470 /nfs/dbraw/zinc/37/34/70/553373470.db2.gz BVIMHTJRUSDINV-UHFFFAOYSA-N 1 1 367.409 2.154 20 5 FEBDMO O=C(CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)Nc1cccc(F)c1 ZINC000298091906 553382927 /nfs/dbraw/zinc/38/29/27/553382927.db2.gz MTLFLRSCQLAJII-UHFFFAOYSA-N 1 1 373.388 2.280 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000298098712 553383664 /nfs/dbraw/zinc/38/36/64/553383664.db2.gz LFQVLAWBLCNLBN-AWEZNQCLSA-N 1 1 362.430 2.078 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000503452815 561641883 /nfs/dbraw/zinc/64/18/83/561641883.db2.gz IDUGWWWTAFKXAM-YOEHRIQHSA-N 1 1 369.487 2.272 20 5 FEBDMO CC(C)C(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000298564523 553441094 /nfs/dbraw/zinc/44/10/94/553441094.db2.gz LTUKHHITKJZKSW-UHFFFAOYSA-N 1 1 363.414 2.198 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427812 553561716 /nfs/dbraw/zinc/56/17/16/553561716.db2.gz XJPSPZFMWKIITI-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000504302884 561655992 /nfs/dbraw/zinc/65/59/92/561655992.db2.gz PXLWLGQYSTXSDP-CVEARBPZSA-N 1 1 373.457 2.053 20 5 FEBDMO CC[N@@H+]1CCC[C@@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301227246 553632895 /nfs/dbraw/zinc/63/28/95/553632895.db2.gz FMWJRIDFEGFHPY-SNVBAGLBSA-N 1 1 363.386 2.487 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301227246 553632897 /nfs/dbraw/zinc/63/28/97/553632897.db2.gz FMWJRIDFEGFHPY-SNVBAGLBSA-N 1 1 363.386 2.487 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301230291 553633205 /nfs/dbraw/zinc/63/32/05/553633205.db2.gz FBQRGIPPTMFOGD-JTQLQIEISA-N 1 1 363.386 2.345 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000301346635 553643838 /nfs/dbraw/zinc/64/38/38/553643838.db2.gz JZALEGNQSMPPJN-GFCCVEGCSA-N 1 1 352.391 2.082 20 5 FEBDMO C[C@H]1C[C@@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000301444607 553652193 /nfs/dbraw/zinc/65/21/93/553652193.db2.gz VEXYYXPCXGUPCG-ZFWWWQNUSA-N 1 1 371.441 2.478 20 5 FEBDMO COC(=O)c1cc(NCC(C)(C)[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000301564314 553661563 /nfs/dbraw/zinc/66/15/63/553661563.db2.gz LJBYCMSAWLWJGT-UHFFFAOYSA-N 1 1 351.403 2.213 20 5 FEBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1ccccc1 ZINC000505067912 561665751 /nfs/dbraw/zinc/66/57/51/561665751.db2.gz HHBZOJBZLBBRGA-MRXNPFEDSA-N 1 1 374.441 2.373 20 5 FEBDMO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)[N@H+]1CCc2ccccc2C1 ZINC000301922558 553691919 /nfs/dbraw/zinc/69/19/19/553691919.db2.gz LJMHEWYCGYYGAV-ZDUSSCGKSA-N 1 1 352.398 2.496 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302136064 553706273 /nfs/dbraw/zinc/70/62/73/553706273.db2.gz MKWYKDAKHBCZOM-XQQFMLRXSA-N 1 1 370.475 2.021 20 5 FEBDMO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000506554458 561701841 /nfs/dbraw/zinc/70/18/41/561701841.db2.gz AIMYEDXXSBFRAW-AWEZNQCLSA-N 1 1 372.425 2.261 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000330440853 554122316 /nfs/dbraw/zinc/12/23/16/554122316.db2.gz OVCNLDCCWQYZCH-CYBMUJFWSA-N 1 1 355.460 2.167 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000330925454 554189587 /nfs/dbraw/zinc/18/95/87/554189587.db2.gz UUCWCDSGQNQPTJ-CQSZACIVSA-N 1 1 355.460 2.398 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000331589176 554290335 /nfs/dbraw/zinc/29/03/35/554290335.db2.gz XQFZYQFGFYIYDU-SECBINFHSA-N 1 1 354.204 2.324 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C)C[N@H+]1C ZINC000331941920 554349688 /nfs/dbraw/zinc/34/96/88/554349688.db2.gz OEVHKUDRNKYIHT-OLZOCXBDSA-N 1 1 357.414 2.160 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)[N@@H+]1C ZINC000331942790 554349786 /nfs/dbraw/zinc/34/97/86/554349786.db2.gz OJCBCNBSECCISL-BETUJISGSA-N 1 1 357.414 2.160 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000332243477 554408283 /nfs/dbraw/zinc/40/82/83/554408283.db2.gz AGJBHKOPODDUFR-STQMWFEESA-N 1 1 359.835 2.153 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253768 554411081 /nfs/dbraw/zinc/41/10/81/554411081.db2.gz YNXTWCCIRPGQOQ-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO COc1ccc(NC(=O)CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000332472569 554452577 /nfs/dbraw/zinc/45/25/77/554452577.db2.gz KLDDFOQOLJVKQF-KGLIPLIRSA-N 1 1 362.430 2.101 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000363219411 555056714 /nfs/dbraw/zinc/05/67/14/555056714.db2.gz RPLSUGIGXCDKRD-AWEZNQCLSA-N 1 1 366.849 2.100 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363259328 555066509 /nfs/dbraw/zinc/06/65/09/555066509.db2.gz NCHXNLKKUPHLNY-SQWLQELKSA-N 1 1 365.455 2.008 20 5 FEBDMO O=C(NC1CC1)[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345055 555295174 /nfs/dbraw/zinc/29/51/74/555295174.db2.gz ZVBWPKVZCORNSH-FUHWJXTLSA-N 1 1 369.425 2.448 20 5 FEBDMO O=C(NC1CC1)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345055 555295177 /nfs/dbraw/zinc/29/51/77/555295177.db2.gz ZVBWPKVZCORNSH-FUHWJXTLSA-N 1 1 369.425 2.448 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000364394857 555305507 /nfs/dbraw/zinc/30/55/07/555305507.db2.gz VLKYGGBRORRGJO-GOEBONIOSA-N 1 1 359.361 2.118 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000364394857 555305509 /nfs/dbraw/zinc/30/55/09/555305509.db2.gz VLKYGGBRORRGJO-GOEBONIOSA-N 1 1 359.361 2.118 20 5 FEBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000364956819 555449790 /nfs/dbraw/zinc/44/97/90/555449790.db2.gz QBECPTZCPUPANC-OAHLLOKOSA-N 1 1 369.425 2.214 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000365189795 555506146 /nfs/dbraw/zinc/50/61/46/555506146.db2.gz DQJXXWPXYJXIIJ-SWLSCSKDSA-N 1 1 363.805 2.043 20 5 FEBDMO O=C(N[C@H]1CCc2[nH]cnc2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365205698 555510669 /nfs/dbraw/zinc/51/06/69/555510669.db2.gz SYAIHFHEWBSYQG-LURJTMIESA-N 1 1 371.216 2.429 20 5 FEBDMO Cc1sc(C(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000365207160 555511002 /nfs/dbraw/zinc/51/10/02/555511002.db2.gz KNUDSVLLHYSFSA-AWEZNQCLSA-N 1 1 366.487 2.064 20 5 FEBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365540090 555603302 /nfs/dbraw/zinc/60/33/02/555603302.db2.gz QQHGUUIZXSUSGI-XCRHUMRWSA-N 1 1 358.442 2.217 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365753225 555659952 /nfs/dbraw/zinc/65/99/52/555659952.db2.gz KFWJHQNOFBHWKY-GJZGRUSLSA-N 1 1 366.466 2.258 20 5 FEBDMO Cc1cc(N[C@@H]2CCc3[nH]cnc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366938686 555976101 /nfs/dbraw/zinc/97/61/01/555976101.db2.gz QPSZCFBPVAJXDA-CYBMUJFWSA-N 1 1 350.382 2.475 20 5 FEBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000367331802 556020398 /nfs/dbraw/zinc/02/03/98/556020398.db2.gz HFGSROQIXFSHIH-IBGZPJMESA-N 1 1 356.426 2.250 20 5 FEBDMO O=C1NC[C@@H]2C[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]12 ZINC000367941633 556178529 /nfs/dbraw/zinc/17/85/29/556178529.db2.gz IYPRLRJRRYHVBL-DOMZBBRYSA-N 1 1 358.423 2.286 20 5 FEBDMO O=C1NC[C@@H]2C[N@@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]12 ZINC000367941633 556178533 /nfs/dbraw/zinc/17/85/33/556178533.db2.gz IYPRLRJRRYHVBL-DOMZBBRYSA-N 1 1 358.423 2.286 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[C@@H](C)C1 ZINC000515013773 561992148 /nfs/dbraw/zinc/99/21/48/561992148.db2.gz IDYKTPIWRSDZHH-OKILXGFUSA-N 1 1 357.414 2.335 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072115 556210413 /nfs/dbraw/zinc/21/04/13/556210413.db2.gz IEFBYUVAKAXAIE-LJQANCHMSA-N 1 1 357.410 2.130 20 5 FEBDMO C[N@H+]1CCCC12CCN([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)CC2 ZINC000368611124 556361577 /nfs/dbraw/zinc/36/15/77/556361577.db2.gz HBDUBNCUEBWAGC-QGZVFWFLSA-N 1 1 358.442 2.260 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000515737648 562020753 /nfs/dbraw/zinc/02/07/53/562020753.db2.gz ZUFZWABVJZRHAF-CHWSQXEVSA-N 1 1 355.460 2.302 20 5 FEBDMO CN(C(=O)CC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000369008232 556474813 /nfs/dbraw/zinc/47/48/13/556474813.db2.gz HQPUFSZVXNECSM-INIZCTEOSA-N 1 1 357.414 2.481 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369069007 556496434 /nfs/dbraw/zinc/49/64/34/556496434.db2.gz YCLWCANHCOPYKN-OAHLLOKOSA-N 1 1 374.441 2.222 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000369697716 556671489 /nfs/dbraw/zinc/67/14/89/556671489.db2.gz ZUUQEIQALQLMMA-CYBMUJFWSA-N 1 1 373.413 2.464 20 5 FEBDMO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000369784824 556694598 /nfs/dbraw/zinc/69/45/98/556694598.db2.gz RMOHCKUXZZQAHN-FUHWJXTLSA-N 1 1 350.415 2.288 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000369784824 556694601 /nfs/dbraw/zinc/69/46/01/556694601.db2.gz RMOHCKUXZZQAHN-FUHWJXTLSA-N 1 1 350.415 2.288 20 5 FEBDMO CC(C)NC(=O)C[N@@H+]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370192377 556806699 /nfs/dbraw/zinc/80/66/99/556806699.db2.gz HPYHQXAXTSSOFG-UHFFFAOYSA-N 1 1 368.865 2.281 20 5 FEBDMO CC(C)NC(=O)C[N@H+]1CCCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370192377 556806700 /nfs/dbraw/zinc/80/67/00/556806700.db2.gz HPYHQXAXTSSOFG-UHFFFAOYSA-N 1 1 368.865 2.281 20 5 FEBDMO Cc1c(CC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000370817947 556977726 /nfs/dbraw/zinc/97/77/26/556977726.db2.gz ZKUBKNNACNJNBP-WMZOPIPTSA-N 1 1 361.442 2.205 20 5 FEBDMO Cn1cc([C@@H]2[C@H](CNC(=O)Cc3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000370920150 557015593 /nfs/dbraw/zinc/01/55/93/557015593.db2.gz ZGZSPSCWPRCPOU-KXBFYZLASA-N 1 1 371.441 2.070 20 5 FEBDMO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000371052990 557058971 /nfs/dbraw/zinc/05/89/71/557058971.db2.gz JUFBBVGYMNENFI-GRDNDAEWSA-N 1 1 369.425 2.255 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000371052990 557058973 /nfs/dbraw/zinc/05/89/73/557058973.db2.gz JUFBBVGYMNENFI-GRDNDAEWSA-N 1 1 369.425 2.255 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000371052990 557058975 /nfs/dbraw/zinc/05/89/75/557058975.db2.gz JUFBBVGYMNENFI-GRDNDAEWSA-N 1 1 369.425 2.255 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227273 557112346 /nfs/dbraw/zinc/11/23/46/557112346.db2.gz CIQQXWVPVXUXBJ-IAQYHMDHSA-N 1 1 363.805 2.394 20 5 FEBDMO C[N@@H+]1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227273 557112351 /nfs/dbraw/zinc/11/23/51/557112351.db2.gz CIQQXWVPVXUXBJ-IAQYHMDHSA-N 1 1 363.805 2.394 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000371227273 557112356 /nfs/dbraw/zinc/11/23/56/557112356.db2.gz CIQQXWVPVXUXBJ-IAQYHMDHSA-N 1 1 363.805 2.394 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000518846441 562119725 /nfs/dbraw/zinc/11/97/25/562119725.db2.gz UVJICOARSKRZKK-CHWSQXEVSA-N 1 1 362.430 2.037 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000518846441 562119726 /nfs/dbraw/zinc/11/97/26/562119726.db2.gz UVJICOARSKRZKK-CHWSQXEVSA-N 1 1 362.430 2.037 20 5 FEBDMO COC(=O)[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC12CCC2 ZINC000373184367 557645763 /nfs/dbraw/zinc/64/57/63/557645763.db2.gz VYUUALDPQGTILL-OAHLLOKOSA-N 1 1 362.382 2.236 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC12CCC2 ZINC000373184367 557645765 /nfs/dbraw/zinc/64/57/65/557645765.db2.gz VYUUALDPQGTILL-OAHLLOKOSA-N 1 1 362.382 2.236 20 5 FEBDMO C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)[C@H]1C ZINC000373246268 557657678 /nfs/dbraw/zinc/65/76/78/557657678.db2.gz VSRLXGUEXVNOLZ-YCPHGPKFSA-N 1 1 363.462 2.369 20 5 FEBDMO CCC(=O)c1ccc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000373546642 557715975 /nfs/dbraw/zinc/71/59/75/557715975.db2.gz IIKAKDWMZQKXAB-MRXNPFEDSA-N 1 1 374.441 2.106 20 5 FEBDMO Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)on2)cn1 ZINC000373584406 557723084 /nfs/dbraw/zinc/72/30/84/557723084.db2.gz LGUNGEXVPLELHH-CYBMUJFWSA-N 1 1 357.374 2.017 20 5 FEBDMO Cn1cc(-c2cc(C[N@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)on2)cn1 ZINC000373584406 557723087 /nfs/dbraw/zinc/72/30/87/557723087.db2.gz LGUNGEXVPLELHH-CYBMUJFWSA-N 1 1 357.374 2.017 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000373928648 557789388 /nfs/dbraw/zinc/78/93/88/557789388.db2.gz GGLKQMABWHFHNR-WMLDXEAASA-N 1 1 355.398 2.137 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CCC[N@H+](C4CCOCC4)CC3)cc2N1 ZINC000374247710 557850004 /nfs/dbraw/zinc/85/00/04/557850004.db2.gz OELJUAYLDUPVFW-UHFFFAOYSA-N 1 1 374.441 2.171 20 5 FEBDMO CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000374333911 557867511 /nfs/dbraw/zinc/86/75/11/557867511.db2.gz WAQNNKIZQKMTEO-UHFFFAOYSA-N 1 1 367.405 2.497 20 5 FEBDMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC2 ZINC000374333911 557867513 /nfs/dbraw/zinc/86/75/13/557867513.db2.gz WAQNNKIZQKMTEO-UHFFFAOYSA-N 1 1 367.405 2.497 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000374368427 557873096 /nfs/dbraw/zinc/87/30/96/557873096.db2.gz TUQFRPOQHPGVDB-NVXWUHKLSA-N 1 1 350.415 2.083 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000374375705 557874422 /nfs/dbraw/zinc/87/44/22/557874422.db2.gz TWLZNUSZBVHKHL-QWHCGFSZSA-N 1 1 366.393 2.417 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000374375705 557874423 /nfs/dbraw/zinc/87/44/23/557874423.db2.gz TWLZNUSZBVHKHL-QWHCGFSZSA-N 1 1 366.393 2.417 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000374644744 557911344 /nfs/dbraw/zinc/91/13/44/557911344.db2.gz IJGZIXVDDMREGI-KGLIPLIRSA-N 1 1 365.434 2.265 20 5 FEBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000374809073 557934621 /nfs/dbraw/zinc/93/46/21/557934621.db2.gz HFNHYAOJRNWZBW-UHFFFAOYSA-N 1 1 356.317 2.458 20 5 FEBDMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c([N+](=O)[O-])c(=O)[nH]1 ZINC000375027073 557966564 /nfs/dbraw/zinc/96/65/64/557966564.db2.gz JDMDECWNPWURME-UHFFFAOYSA-N 1 1 370.409 2.352 20 5 FEBDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(C)[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000375090135 557976162 /nfs/dbraw/zinc/97/61/62/557976162.db2.gz KVXDGRNYILTMSG-GFCCVEGCSA-N 1 1 359.386 2.240 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375466931 558032048 /nfs/dbraw/zinc/03/20/48/558032048.db2.gz XGRBEJDNICYJNE-DZGCQCFKSA-N 1 1 374.397 2.084 20 5 FEBDMO C[C@H](CO)[N@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000375513413 558040938 /nfs/dbraw/zinc/04/09/38/558040938.db2.gz VDDAMBKNNWSIPO-LLVKDONJSA-N 1 1 358.236 2.250 20 5 FEBDMO C[C@H](CO)[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000375513413 558040937 /nfs/dbraw/zinc/04/09/37/558040937.db2.gz VDDAMBKNNWSIPO-LLVKDONJSA-N 1 1 358.236 2.250 20 5 FEBDMO O=C(c1cc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556449 558048135 /nfs/dbraw/zinc/04/81/35/558048135.db2.gz GWTHREZWGCYTHZ-HOTGVXAUSA-N 1 1 374.441 2.106 20 5 FEBDMO Cn1nccc1C1=CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375692247 558068304 /nfs/dbraw/zinc/06/83/04/558068304.db2.gz WIQIYHNRJGQKJA-UHFFFAOYSA-N 1 1 355.398 2.446 20 5 FEBDMO CC1(C)C[N@H+](C2(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)CCCCC2)CCO1 ZINC000521770338 562183360 /nfs/dbraw/zinc/18/33/60/562183360.db2.gz NUHHREPZWBSLQS-UHFFFAOYSA-N 1 1 364.446 2.466 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000376983042 558248061 /nfs/dbraw/zinc/24/80/61/558248061.db2.gz PSYKWQVOCRXDDK-IRXDYDNUSA-N 1 1 355.394 2.431 20 5 FEBDMO O=C([C@@H]1CCCc2[nH+]ccn21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000377781201 558418361 /nfs/dbraw/zinc/41/83/61/558418361.db2.gz ZIEARVQQYVRPKJ-INIZCTEOSA-N 1 1 355.398 2.018 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000378012019 558463079 /nfs/dbraw/zinc/46/30/79/558463079.db2.gz USJOKZVWUBLNRR-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000378318645 558528575 /nfs/dbraw/zinc/52/85/75/558528575.db2.gz XPQMALVRPIYQMM-PKOBYXMFSA-N 1 1 357.410 2.345 20 5 FEBDMO CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000523649448 562216546 /nfs/dbraw/zinc/21/65/46/562216546.db2.gz OLUBLODWZVOTNX-DZGCQCFKSA-N 1 1 363.414 2.046 20 5 FEBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000378577414 558587358 /nfs/dbraw/zinc/58/73/58/558587358.db2.gz DPTCOHXWZYYJHK-CYBMUJFWSA-N 1 1 358.402 2.428 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1SC ZINC000524774630 562234545 /nfs/dbraw/zinc/23/45/45/562234545.db2.gz RUPHTYWACNBAOU-NSHDSACASA-N 1 1 353.444 2.397 20 5 FEBDMO CC[C@@]1(C)COCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411421108 558892012 /nfs/dbraw/zinc/89/20/12/558892012.db2.gz IBRAQHPVAJDAKE-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)NC(=O)Nc1ccccc1 ZINC000411479412 558901905 /nfs/dbraw/zinc/90/19/05/558901905.db2.gz MBQFSRVFRDOYQV-UHFFFAOYSA-N 1 1 369.381 2.086 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC(C)(C)OC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411630120 558932409 /nfs/dbraw/zinc/93/24/09/558932409.db2.gz DVVZRAFGYJBYEQ-LBPRGKRZSA-N 1 1 351.403 2.431 20 5 FEBDMO COC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411812573 558968057 /nfs/dbraw/zinc/96/80/57/558968057.db2.gz YRVFMRMZYKCJCT-ZDUSSCGKSA-N 1 1 351.403 2.433 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411861874 558978047 /nfs/dbraw/zinc/97/80/47/558978047.db2.gz XWKVSCBIVDIPEF-UHFFFAOYSA-N 1 1 357.414 2.414 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c([N+](=O)[O-])c1 ZINC000411877198 558981064 /nfs/dbraw/zinc/98/10/64/558981064.db2.gz QPGZNDASHUZGSZ-CJNGLKHVSA-N 1 1 363.414 2.289 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000411973293 558997970 /nfs/dbraw/zinc/99/79/70/558997970.db2.gz XBHQQUFLSKNPFJ-IBGZPJMESA-N 1 1 355.394 2.232 20 5 FEBDMO CNC(=O)NC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000412057723 559007767 /nfs/dbraw/zinc/00/77/67/559007767.db2.gz YSTSZDOJLVVYKM-UHFFFAOYSA-N 1 1 359.386 2.143 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000412084991 559011514 /nfs/dbraw/zinc/01/15/14/559011514.db2.gz ZBSIJQXLIJZOBG-QGZVFWFLSA-N 1 1 360.370 2.420 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000412084991 559011516 /nfs/dbraw/zinc/01/15/16/559011516.db2.gz ZBSIJQXLIJZOBG-QGZVFWFLSA-N 1 1 360.370 2.420 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1F ZINC000412133901 559016266 /nfs/dbraw/zinc/01/62/66/559016266.db2.gz ZGLKDYLSPQHUGA-QWHCGFSZSA-N 1 1 365.405 2.370 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412692172 559050732 /nfs/dbraw/zinc/05/07/32/559050732.db2.gz CQYIEPWLKNUFJA-HNNXBMFYSA-N 1 1 371.441 2.223 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412692172 559050734 /nfs/dbraw/zinc/05/07/34/559050734.db2.gz CQYIEPWLKNUFJA-HNNXBMFYSA-N 1 1 371.441 2.223 20 5 FEBDMO CC(C)[C@H]1[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159990 559151098 /nfs/dbraw/zinc/15/10/98/559151098.db2.gz XIDMEYPSFWCPHW-MAUKXSAKSA-N 1 1 364.442 2.472 20 5 FEBDMO CCOc1cc(NC(=O)NCC(F)(F)C[NH3+])c([N+](=O)[O-])cc1OCC ZINC000414759514 559185890 /nfs/dbraw/zinc/18/58/90/559185890.db2.gz OOJVZCPKTBYRSQ-UHFFFAOYSA-N 1 1 362.333 2.108 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416384886 559309176 /nfs/dbraw/zinc/30/91/76/559309176.db2.gz OOOKCKWENNIVBN-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416457778 559314417 /nfs/dbraw/zinc/31/44/17/559314417.db2.gz OSIYTHTVSHANAJ-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416457778 559314418 /nfs/dbraw/zinc/31/44/18/559314418.db2.gz OSIYTHTVSHANAJ-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323669 559480563 /nfs/dbraw/zinc/48/05/63/559480563.db2.gz GQAFXCFTOSLENP-LSDHHAIUSA-N 1 1 357.414 2.466 20 5 FEBDMO COc1ccc(NC(=O)CCN2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420372441 559483663 /nfs/dbraw/zinc/48/36/63/559483663.db2.gz MHJVDRTXBICMOQ-SFHVURJKSA-N 1 1 362.430 2.008 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000421766009 559552548 /nfs/dbraw/zinc/55/25/48/559552548.db2.gz BRJHPZRFVNRBCZ-QGZVFWFLSA-N 1 1 374.485 2.454 20 5 FEBDMO CCN1CCC([N@@H+]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000422011027 559560529 /nfs/dbraw/zinc/56/05/29/559560529.db2.gz CTFRYTLWWTUEIB-UHFFFAOYSA-N 1 1 374.485 2.156 20 5 FEBDMO CCN1CCC([N@H+]2CCCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000422011027 559560530 /nfs/dbraw/zinc/56/05/30/559560530.db2.gz CTFRYTLWWTUEIB-UHFFFAOYSA-N 1 1 374.485 2.156 20 5 FEBDMO O=[N+]([O-])c1cc(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(C(F)(F)F)c1 ZINC000423081616 559618004 /nfs/dbraw/zinc/61/80/04/559618004.db2.gz DJMZHQFRFMHSML-GJZGRUSLSA-N 1 1 359.348 2.470 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000425059278 559685782 /nfs/dbraw/zinc/68/57/82/559685782.db2.gz RAAYEJONVDXWDH-MEDUHNTESA-N 1 1 356.382 2.015 20 5 FEBDMO C[C@@H]1OCC[C@@H]1[N@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438108 559702365 /nfs/dbraw/zinc/70/23/65/559702365.db2.gz AAYCICMAHQSIDM-GWCFXTLKSA-N 1 1 359.220 2.329 20 5 FEBDMO C[C@@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438108 559702366 /nfs/dbraw/zinc/70/23/66/559702366.db2.gz AAYCICMAHQSIDM-GWCFXTLKSA-N 1 1 359.220 2.329 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000427591745 559758466 /nfs/dbraw/zinc/75/84/66/559758466.db2.gz AISRHVOACRMVSS-UKRRQHHQSA-N 1 1 357.414 2.377 20 5 FEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H](C)C1 ZINC000428988669 559787545 /nfs/dbraw/zinc/78/75/45/559787545.db2.gz AKLUWSOZYNPPCB-ZRGWGRIASA-N 1 1 372.469 2.146 20 5 FEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018054 559788820 /nfs/dbraw/zinc/78/88/20/559788820.db2.gz HJLRYJNQJDXQBA-VKJFTORMSA-N 1 1 372.469 2.146 20 5 FEBDMO C[C@H]1C[C@H]1[N@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026765 559789262 /nfs/dbraw/zinc/78/92/62/559789262.db2.gz AATDBSVGTXXMFX-WTLGNFPFSA-N 1 1 372.469 2.362 20 5 FEBDMO CC[NH+]1CCN([C@@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000432339343 559856698 /nfs/dbraw/zinc/85/66/98/559856698.db2.gz YXZVXTIRQPGKCD-OAHLLOKOSA-N 1 1 355.442 2.359 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCO)[C@@H]1CCCSC1 ZINC000433197919 559873401 /nfs/dbraw/zinc/87/34/01/559873401.db2.gz UUIIYBXYMHLKME-CQSZACIVSA-N 1 1 353.444 2.032 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000433197919 559873402 /nfs/dbraw/zinc/87/34/02/559873402.db2.gz UUIIYBXYMHLKME-CQSZACIVSA-N 1 1 353.444 2.032 20 5 FEBDMO C[C@@H](O)C[N@@H+](C)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436397900 559941188 /nfs/dbraw/zinc/94/11/88/559941188.db2.gz QVYDHXGJDMXSJY-SNVBAGLBSA-N 1 1 362.352 2.290 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)[C@H]3CCCSC3)n2)c1 ZINC000439001415 559986959 /nfs/dbraw/zinc/98/69/59/559986959.db2.gz XWSUQYVWZVBGCM-AWEZNQCLSA-N 1 1 364.427 2.335 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCO)[C@H]3CCCSC3)n2)c1 ZINC000439001415 559986960 /nfs/dbraw/zinc/98/69/60/559986960.db2.gz XWSUQYVWZVBGCM-AWEZNQCLSA-N 1 1 364.427 2.335 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000439159342 559989335 /nfs/dbraw/zinc/98/93/35/559989335.db2.gz XGFXWPZFHZRGDS-ZMSDIMECSA-N 1 1 350.415 2.083 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000440066979 560004067 /nfs/dbraw/zinc/00/40/67/560004067.db2.gz YLKUYSMCURPWOY-OCCSQVGLSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000440066977 560004090 /nfs/dbraw/zinc/00/40/90/560004090.db2.gz YLKUYSMCURPWOY-JSGCOSHPSA-N 1 1 355.460 2.302 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000443361659 560081855 /nfs/dbraw/zinc/08/18/55/560081855.db2.gz YUHABBVLLSQGDF-UONOGXRCSA-N 1 1 362.430 2.173 20 5 FEBDMO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000443712548 560090935 /nfs/dbraw/zinc/09/09/35/560090935.db2.gz WNYAADWRRLHNCC-ZIAGYGMSSA-N 1 1 355.460 2.277 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447928040 560173524 /nfs/dbraw/zinc/17/35/24/560173524.db2.gz CRDVKCCTNGXPQP-OAHLLOKOSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000448317476 560183943 /nfs/dbraw/zinc/18/39/43/560183943.db2.gz IFZIIOZNQAGKRF-OAHLLOKOSA-N 1 1 362.430 2.078 20 5 FEBDMO NC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449774951 560239713 /nfs/dbraw/zinc/23/97/13/560239713.db2.gz PRXHFNRZZPXEAQ-AWEZNQCLSA-N 1 1 361.423 2.400 20 5 FEBDMO NC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000449774951 560239714 /nfs/dbraw/zinc/23/97/14/560239714.db2.gz PRXHFNRZZPXEAQ-AWEZNQCLSA-N 1 1 361.423 2.400 20 5 FEBDMO COC(=O)COc1ccc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000449786270 560240096 /nfs/dbraw/zinc/24/00/96/560240096.db2.gz MKRILKCIZGFRTC-HNNXBMFYSA-N 1 1 365.430 2.061 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)n[nH]3)[C@H]2C1 ZINC000450701337 560270865 /nfs/dbraw/zinc/27/08/65/560270865.db2.gz VZEANMHTGGSJNX-DYVFJYSZSA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)[C@H]2C1 ZINC000450701337 560270866 /nfs/dbraw/zinc/27/08/66/560270866.db2.gz VZEANMHTGGSJNX-DYVFJYSZSA-N 1 1 355.398 2.151 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)[C@H]2C1 ZINC000450701337 560270867 /nfs/dbraw/zinc/27/08/67/560270867.db2.gz VZEANMHTGGSJNX-DYVFJYSZSA-N 1 1 355.398 2.151 20 5 FEBDMO CC[C@@H](C)[NH+]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000450861346 560275975 /nfs/dbraw/zinc/27/59/75/560275975.db2.gz PSIKCLOZIGKPSM-CQSZACIVSA-N 1 1 371.441 2.480 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000451302251 560299034 /nfs/dbraw/zinc/29/90/34/560299034.db2.gz KDCQGLVUXZLNTC-BMFZPTHFSA-N 1 1 374.397 2.007 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451579763 560315936 /nfs/dbraw/zinc/31/59/36/560315936.db2.gz YVRPBNREKBQAER-HUBLWGQQSA-N 1 1 351.403 2.287 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000451579763 560315937 /nfs/dbraw/zinc/31/59/37/560315937.db2.gz YVRPBNREKBQAER-HUBLWGQQSA-N 1 1 351.403 2.287 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000451882283 560334345 /nfs/dbraw/zinc/33/43/45/560334345.db2.gz CMUPSPDAHFIIGL-IINYFYTJSA-N 1 1 361.320 2.169 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451896449 560335518 /nfs/dbraw/zinc/33/55/18/560335518.db2.gz GFPOQVHQJQMUGE-SCLBCKFNSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451896449 560335519 /nfs/dbraw/zinc/33/55/19/560335519.db2.gz GFPOQVHQJQMUGE-SCLBCKFNSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909563 560336603 /nfs/dbraw/zinc/33/66/03/560336603.db2.gz XGUVRGXMFPNDLD-SCLBCKFNSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909563 560336604 /nfs/dbraw/zinc/33/66/04/560336604.db2.gz XGUVRGXMFPNDLD-SCLBCKFNSA-N 1 1 363.414 2.433 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000451976471 560341623 /nfs/dbraw/zinc/34/16/23/560341623.db2.gz YFRNGYGSCMQOLU-CJNGLKHVSA-N 1 1 352.341 2.268 20 5 FEBDMO COC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000452100880 560351310 /nfs/dbraw/zinc/35/13/10/560351310.db2.gz IUDZIAHTEQMPPI-AWEZNQCLSA-N 1 1 356.444 2.117 20 5 FEBDMO COC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000452100880 560351311 /nfs/dbraw/zinc/35/13/11/560351311.db2.gz IUDZIAHTEQMPPI-AWEZNQCLSA-N 1 1 356.444 2.117 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452136367 560353440 /nfs/dbraw/zinc/35/34/40/560353440.db2.gz YDOHRHNTHPUXOM-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452136367 560353441 /nfs/dbraw/zinc/35/34/41/560353441.db2.gz YDOHRHNTHPUXOM-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000452392770 560363001 /nfs/dbraw/zinc/36/30/01/560363001.db2.gz RQGKFOMTOYDKOY-CQSZACIVSA-N 1 1 363.439 2.386 20 5 FEBDMO C[C@H](NC(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)c1ccc([N+](=O)[O-])cc1 ZINC000452571163 560368004 /nfs/dbraw/zinc/36/80/04/560368004.db2.gz FOMAHCSRMPTTLJ-NSHDSACASA-N 1 1 368.397 2.434 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)n1 ZINC000452728024 560372231 /nfs/dbraw/zinc/37/22/31/560372231.db2.gz HLQAQZZRARLQSY-UHFFFAOYSA-N 1 1 357.414 2.113 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454528525 560448411 /nfs/dbraw/zinc/44/84/11/560448411.db2.gz OZCIBMTWPBMYLK-XJKSGUPXSA-N 1 1 350.419 2.066 20 5 FEBDMO CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(NC)n2)C1 ZINC000455486177 560484208 /nfs/dbraw/zinc/48/42/08/560484208.db2.gz BPLFYDFCPPYAPV-GFCCVEGCSA-N 1 1 358.402 2.268 20 5 FEBDMO CNc1nc(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000455730821 560493169 /nfs/dbraw/zinc/49/31/69/560493169.db2.gz IBZIEXBHDFNNFH-UHFFFAOYSA-N 1 1 370.413 2.134 20 5 FEBDMO CNc1nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000456000226 560503954 /nfs/dbraw/zinc/50/39/54/560503954.db2.gz QVMBWRYMORTWFD-SWLSCSKDSA-N 1 1 359.430 2.120 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456354381 560516893 /nfs/dbraw/zinc/51/68/93/560516893.db2.gz PDKPFIMPKVTANS-GFCCVEGCSA-N 1 1 358.398 2.405 20 5 FEBDMO O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000457010336 560543777 /nfs/dbraw/zinc/54/37/77/560543777.db2.gz FDJUSKQJTAVVGR-AWEZNQCLSA-N 1 1 355.350 2.110 20 5 FEBDMO Cc1c(C(=O)NCC[N@H+]2CCCC2(C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457067965 560546817 /nfs/dbraw/zinc/54/68/17/560546817.db2.gz CXOFPNUJITYLKP-UHFFFAOYSA-N 1 1 372.429 2.088 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000457079044 560547489 /nfs/dbraw/zinc/54/74/89/560547489.db2.gz RTZBDOUZRUFXPW-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[N@H+]2CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000457084586 560547867 /nfs/dbraw/zinc/54/78/67/560547867.db2.gz YRTUBZCVMXZYHC-UHFFFAOYSA-N 1 1 363.414 2.376 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000457109430 560549625 /nfs/dbraw/zinc/54/96/25/560549625.db2.gz GTPBKQGJVHOSCP-ZDUSSCGKSA-N 1 1 358.398 2.403 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000459492094 560689601 /nfs/dbraw/zinc/68/96/01/560689601.db2.gz ZQLMLXCXVOBRJY-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000459492094 560689602 /nfs/dbraw/zinc/68/96/02/560689602.db2.gz ZQLMLXCXVOBRJY-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000459492094 560689603 /nfs/dbraw/zinc/68/96/03/560689603.db2.gz ZQLMLXCXVOBRJY-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc([N+](=O)[O-])c1 ZINC000461026657 560759738 /nfs/dbraw/zinc/75/97/38/560759738.db2.gz HOXKBNOMKQZJBP-GFCCVEGCSA-N 1 1 351.403 2.230 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000467225284 560906724 /nfs/dbraw/zinc/90/67/24/560906724.db2.gz ONZGBVVUYCZEGL-UHFFFAOYSA-N 1 1 358.851 2.096 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000468475182 560931028 /nfs/dbraw/zinc/93/10/28/560931028.db2.gz MUIQGRNQQONKPS-HNNXBMFYSA-N 1 1 363.414 2.232 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470142486 560975249 /nfs/dbraw/zinc/97/52/49/560975249.db2.gz OTDZRZXTJPDRKK-UHFFFAOYSA-N 1 1 354.382 2.308 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470142486 560975250 /nfs/dbraw/zinc/97/52/50/560975250.db2.gz OTDZRZXTJPDRKK-UHFFFAOYSA-N 1 1 354.382 2.308 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000470183339 560976270 /nfs/dbraw/zinc/97/62/70/560976270.db2.gz QHVUFXYOZRCSLZ-RKCSUWQLSA-N 1 1 367.471 2.400 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000470183339 560976271 /nfs/dbraw/zinc/97/62/71/560976271.db2.gz QHVUFXYOZRCSLZ-RKCSUWQLSA-N 1 1 367.471 2.400 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000470292916 560977930 /nfs/dbraw/zinc/97/79/30/560977930.db2.gz LPFIMBHZPPANEF-UHFFFAOYSA-N 1 1 372.429 2.027 20 5 FEBDMO COC(=O)COc1ccc(CN[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000474375404 561072604 /nfs/dbraw/zinc/07/26/04/561072604.db2.gz UEBDTZBPMPWSHD-CQSZACIVSA-N 1 1 365.430 2.111 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1[N+](=O)[O-] ZINC000475131306 561091223 /nfs/dbraw/zinc/09/12/23/561091223.db2.gz QGYLOOYPRROVNU-WBMJQRKESA-N 1 1 352.387 2.003 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000475692706 561102336 /nfs/dbraw/zinc/10/23/36/561102336.db2.gz JIWRWSBSSRZHLP-UHFFFAOYSA-N 1 1 364.398 2.149 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000530397058 562409731 /nfs/dbraw/zinc/40/97/31/562409731.db2.gz ZDMMKXDLDHVBKY-UHFFFAOYSA-N 1 1 363.462 2.361 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000531540400 562449105 /nfs/dbraw/zinc/44/91/05/562449105.db2.gz MCEKJPXXWQVDBE-CYBMUJFWSA-N 1 1 363.414 2.074 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](N3CCCC3=O)C2)cccc1[N+](=O)[O-] ZINC000532981603 562494651 /nfs/dbraw/zinc/49/46/51/562494651.db2.gz KAGUQFBEGFLZCO-HNNXBMFYSA-N 1 1 374.441 2.319 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2nc(C)ncc2C1 ZINC000533239309 562502544 /nfs/dbraw/zinc/50/25/44/562502544.db2.gz UFWUKAWTCAGMCI-UHFFFAOYSA-N 1 1 355.398 2.389 20 5 FEBDMO COC(=O)c1cc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000533830680 562519306 /nfs/dbraw/zinc/51/93/06/562519306.db2.gz COTAICIKUGUCHB-QGZVFWFLSA-N 1 1 369.377 2.298 20 5 FEBDMO COC(=O)c1cc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000533830680 562519307 /nfs/dbraw/zinc/51/93/07/562519307.db2.gz COTAICIKUGUCHB-QGZVFWFLSA-N 1 1 369.377 2.298 20 5 FEBDMO COc1ccc2c(c1)CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000534841533 562543646 /nfs/dbraw/zinc/54/36/46/562543646.db2.gz WAEMRRJGNSRCAK-SFHVURJKSA-N 1 1 372.421 2.444 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000535275777 562554836 /nfs/dbraw/zinc/55/48/36/562554836.db2.gz IYFNYKYDRQSOIO-AWEZNQCLSA-N 1 1 355.350 2.240 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000535275777 562554837 /nfs/dbraw/zinc/55/48/37/562554837.db2.gz IYFNYKYDRQSOIO-AWEZNQCLSA-N 1 1 355.350 2.240 20 5 FEBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000537245627 562588612 /nfs/dbraw/zinc/58/86/12/562588612.db2.gz ZSNSRIZKWQMHJV-UHFFFAOYSA-N 1 1 354.204 2.349 20 5 FEBDMO COCc1ncc2c(n1)CC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000602928193 568019190 /nfs/dbraw/zinc/01/91/90/568019190.db2.gz KOZHYIQRKSYRMA-UHFFFAOYSA-N 1 1 358.398 2.358 20 5 FEBDMO COCc1ncc2c(n1)CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000602928193 568019191 /nfs/dbraw/zinc/01/91/91/568019191.db2.gz KOZHYIQRKSYRMA-UHFFFAOYSA-N 1 1 358.398 2.358 20 5 FEBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000568577191 568058690 /nfs/dbraw/zinc/05/86/90/568058690.db2.gz ZTBNFZULYFRILE-CZUORRHYSA-N 1 1 362.430 2.228 20 5 FEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254995 568320968 /nfs/dbraw/zinc/32/09/68/568320968.db2.gz GOBPUKDLEWDKRW-SGMGOOAPSA-N 1 1 361.398 2.126 20 5 FEBDMO Cc1cc(OCC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000569395282 568400473 /nfs/dbraw/zinc/40/04/73/568400473.db2.gz OKMDDMRGNYRCCM-DDUZABMNSA-N 1 1 361.442 2.471 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569802227 568425820 /nfs/dbraw/zinc/42/58/20/568425820.db2.gz SFCFAYAXSXVVHA-CYBMUJFWSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569802227 568425821 /nfs/dbraw/zinc/42/58/21/568425821.db2.gz SFCFAYAXSXVVHA-CYBMUJFWSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000569802227 568425822 /nfs/dbraw/zinc/42/58/22/568425822.db2.gz SFCFAYAXSXVVHA-CYBMUJFWSA-N 1 1 357.414 2.220 20 5 FEBDMO C[C@@H]1CCC[C@](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000570546475 568486571 /nfs/dbraw/zinc/48/65/71/568486571.db2.gz JARMFIBLEZYKCV-MDZRGWNJSA-N 1 1 365.474 2.435 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000809380929 674492279 /nfs/dbraw/zinc/49/22/79/674492279.db2.gz FSINKPOODPHLKI-UHFFFAOYSA-N 1 1 368.390 2.265 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000811803439 674629405 /nfs/dbraw/zinc/62/94/05/674629405.db2.gz MLVOPYPJBMWHAJ-JTQLQIEISA-N 1 1 354.363 2.432 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000562044029 674717774 /nfs/dbraw/zinc/71/77/74/674717774.db2.gz XGTCXKJVAYQXMR-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048813124 675015509 /nfs/dbraw/zinc/01/55/09/675015509.db2.gz ANHGCOWMQWOEGX-UMPJEAMMSA-N 1 1 363.845 2.204 20 5 FEBDMO Cc1cccc(Cl)c1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048813124 675015511 /nfs/dbraw/zinc/01/55/11/675015511.db2.gz ANHGCOWMQWOEGX-UMPJEAMMSA-N 1 1 363.845 2.204 20 5 FEBDMO Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048813124 675015512 /nfs/dbraw/zinc/01/55/12/675015512.db2.gz ANHGCOWMQWOEGX-UMPJEAMMSA-N 1 1 363.845 2.204 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000047147845 670235264 /nfs/dbraw/zinc/23/52/64/670235264.db2.gz NKGPHDPLRYPRTG-NSHDSACASA-N 1 1 350.375 2.273 20 5 FEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000068084505 670465847 /nfs/dbraw/zinc/46/58/47/670465847.db2.gz JUVGYWYLSCHONK-RYUDHWBXSA-N 1 1 350.375 2.353 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1)c1ccco1 ZINC000069116930 670480565 /nfs/dbraw/zinc/48/05/65/670480565.db2.gz XAZQTUYOHXAFDB-AWEZNQCLSA-N 1 1 351.334 2.125 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000083991609 670663510 /nfs/dbraw/zinc/66/35/10/670663510.db2.gz MKORNCYPJMNSBF-LLVKDONJSA-N 1 1 361.851 2.177 20 5 FEBDMO CC(C)C[C@@H]([NH3+])c1noc(-c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1 ZINC000571880408 670936106 /nfs/dbraw/zinc/93/61/06/670936106.db2.gz CXHRMSSWSXEGKQ-GFCCVEGCSA-N 1 1 354.388 2.094 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000572437559 671001467 /nfs/dbraw/zinc/00/14/67/671001467.db2.gz IHTFFAJJMIVUDF-ZDUSSCGKSA-N 1 1 372.491 2.377 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000574328099 671227160 /nfs/dbraw/zinc/22/71/60/671227160.db2.gz SHXRRAHKAHCWFS-OLZOCXBDSA-N 1 1 371.459 2.097 20 5 FEBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000576024338 671338649 /nfs/dbraw/zinc/33/86/49/671338649.db2.gz WFMVZJAWUBVGMS-NTZNESFSSA-N 1 1 350.341 2.205 20 5 FEBDMO C[N@@H+]1CCO[C@@H](CSCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000566214484 675194465 /nfs/dbraw/zinc/19/44/65/675194465.db2.gz JXMFOWDSPGCKNI-LLVKDONJSA-N 1 1 359.835 2.251 20 5 FEBDMO C[N@H+]1CCO[C@@H](CSCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000566214484 675194466 /nfs/dbraw/zinc/19/44/66/675194466.db2.gz JXMFOWDSPGCKNI-LLVKDONJSA-N 1 1 359.835 2.251 20 5 FEBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000579020539 671706686 /nfs/dbraw/zinc/70/66/86/671706686.db2.gz NTIKTBXHPGKXJD-GFCCVEGCSA-N 1 1 373.431 2.377 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213846 675959796 /nfs/dbraw/zinc/95/97/96/675959796.db2.gz WJYGSDVOTBPONN-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213846 675959798 /nfs/dbraw/zinc/95/97/98/675959798.db2.gz WJYGSDVOTBPONN-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119637333 671903946 /nfs/dbraw/zinc/90/39/46/671903946.db2.gz BOFTZCPSPZBQSA-LLVKDONJSA-N 1 1 361.489 2.445 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000610133849 675955923 /nfs/dbraw/zinc/95/59/23/675955923.db2.gz ZPUXDFBEVISYOL-OLZOCXBDSA-N 1 1 355.460 2.307 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@@H+](C[C@H]3CCCO3)CC2)s1 ZINC000587146627 672440993 /nfs/dbraw/zinc/44/09/93/672440993.db2.gz CWUCYFUMLXRDQA-GFCCVEGCSA-N 1 1 363.443 2.291 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000589930714 672548411 /nfs/dbraw/zinc/54/84/11/672548411.db2.gz JPQDMLOOSHVBQT-ZDUSSCGKSA-N 1 1 367.471 2.398 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+](C2CCC2)C1 ZINC000589930747 672548838 /nfs/dbraw/zinc/54/88/38/672548838.db2.gz CQHLKIAOUZSPAA-NSHDSACASA-N 1 1 359.473 2.151 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC[N@H+](C2CCC2)C1 ZINC000589930747 672548841 /nfs/dbraw/zinc/54/88/41/672548841.db2.gz CQHLKIAOUZSPAA-NSHDSACASA-N 1 1 359.473 2.151 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590046970 672556594 /nfs/dbraw/zinc/55/65/94/672556594.db2.gz QEUYGKLGAQXGHI-QMTHXVAHSA-N 1 1 368.231 2.442 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000590562495 672589790 /nfs/dbraw/zinc/58/97/90/672589790.db2.gz LYRXXSPLDLMLFG-GJZGRUSLSA-N 1 1 353.806 2.183 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565848 672590378 /nfs/dbraw/zinc/59/03/78/672590378.db2.gz RLHLYXCWGVHNLM-HIFRSBDPSA-N 1 1 353.806 2.183 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1COCCO1)[C@H]1CC[C@H](O)CC1 ZINC000592133486 672762180 /nfs/dbraw/zinc/76/21/80/672762180.db2.gz VTFWOWDNVVNHNM-ULQDDVLXSA-N 1 1 350.415 2.116 20 5 FEBDMO [NH3+]C1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000592375625 672793920 /nfs/dbraw/zinc/79/39/20/672793920.db2.gz WYDWVBLGZQQAKK-UHFFFAOYSA-N 1 1 354.215 2.061 20 5 FEBDMO C[C@@H](CSc1ccccc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593045596 672867435 /nfs/dbraw/zinc/86/74/35/672867435.db2.gz JIOXKCXNRXUUAT-DZGCQCFKSA-N 1 1 350.444 2.265 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1C ZINC000594792382 673144239 /nfs/dbraw/zinc/14/42/39/673144239.db2.gz QEAYOXAPEJFZDP-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1C ZINC000594792382 673144243 /nfs/dbraw/zinc/14/42/43/673144243.db2.gz QEAYOXAPEJFZDP-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000594793915 673145366 /nfs/dbraw/zinc/14/53/66/673145366.db2.gz WKJTXPXFQYCRPT-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000594793915 673145368 /nfs/dbraw/zinc/14/53/68/673145368.db2.gz WKJTXPXFQYCRPT-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594854218 673165147 /nfs/dbraw/zinc/16/51/47/673165147.db2.gz FQFGYEIEELDKLK-ZDUSSCGKSA-N 1 1 353.444 2.280 20 5 FEBDMO COc1cc(CN[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000729681825 673243362 /nfs/dbraw/zinc/24/33/62/673243362.db2.gz KFPJMVNKXRMEBZ-NSHDSACASA-N 1 1 363.336 2.338 20 5 FEBDMO COc1cc(CN[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000729681825 673243365 /nfs/dbraw/zinc/24/33/65/673243365.db2.gz KFPJMVNKXRMEBZ-NSHDSACASA-N 1 1 363.336 2.338 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000595467288 673254476 /nfs/dbraw/zinc/25/44/76/673254476.db2.gz JYAYRLJRCWUTTR-CYBMUJFWSA-N 1 1 350.419 2.275 20 5 FEBDMO COC[C@H](C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1)OC ZINC000595562895 673267363 /nfs/dbraw/zinc/26/73/63/673267363.db2.gz MWEYGRAYVVKGGZ-ULQDDVLXSA-N 1 1 352.431 2.362 20 5 FEBDMO COc1cc(C[N@@H+]2CCC3(COC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595834224 673328880 /nfs/dbraw/zinc/32/88/80/673328880.db2.gz MOVPFXVQIYQCAU-UHFFFAOYSA-N 1 1 358.341 2.470 20 5 FEBDMO COc1cc(C[N@H+]2CCC3(COC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595834224 673328882 /nfs/dbraw/zinc/32/88/82/673328882.db2.gz MOVPFXVQIYQCAU-UHFFFAOYSA-N 1 1 358.341 2.470 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000595851830 673330029 /nfs/dbraw/zinc/33/00/29/673330029.db2.gz VCZZAFSOZHMJKO-GFCCVEGCSA-N 1 1 353.394 2.479 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000595851830 673330033 /nfs/dbraw/zinc/33/00/33/673330033.db2.gz VCZZAFSOZHMJKO-GFCCVEGCSA-N 1 1 353.394 2.479 20 5 FEBDMO CN(CCC[NH+]1CCN(C)CC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000596123676 673361316 /nfs/dbraw/zinc/36/13/16/673361316.db2.gz ZMCQPWHANWOPMM-UHFFFAOYSA-N 1 1 371.279 2.431 20 5 FEBDMO COC(=O)c1c(Cl)c(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000596167557 673364503 /nfs/dbraw/zinc/36/45/03/673364503.db2.gz KPQPTDFFPGKLGG-JOYOIKCWSA-N 1 1 357.794 2.166 20 5 FEBDMO COC(=O)c1c(Cl)c(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000596167557 673364507 /nfs/dbraw/zinc/36/45/07/673364507.db2.gz KPQPTDFFPGKLGG-JOYOIKCWSA-N 1 1 357.794 2.166 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000536601970 673371714 /nfs/dbraw/zinc/37/17/14/673371714.db2.gz RFUCLNLCFOUYMV-CHWSQXEVSA-N 1 1 367.471 2.498 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000536601970 673371717 /nfs/dbraw/zinc/37/17/17/673371717.db2.gz RFUCLNLCFOUYMV-CHWSQXEVSA-N 1 1 367.471 2.498 20 5 FEBDMO COc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596540962 673392853 /nfs/dbraw/zinc/39/28/53/673392853.db2.gz XIIAHLSDRLLWRN-LBPRGKRZSA-N 1 1 355.822 2.292 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]2N1 ZINC000597204371 673456514 /nfs/dbraw/zinc/45/65/14/673456514.db2.gz ASVCQRGVODJTGU-MFKMUULPSA-N 1 1 355.341 2.297 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]2N1 ZINC000597204371 673456515 /nfs/dbraw/zinc/45/65/15/673456515.db2.gz ASVCQRGVODJTGU-MFKMUULPSA-N 1 1 355.341 2.297 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000734310015 673460049 /nfs/dbraw/zinc/46/00/49/673460049.db2.gz TVLMHIUFWGMSLU-MRXNPFEDSA-N 1 1 363.487 2.003 20 5 FEBDMO COCCNC(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000735491108 673494424 /nfs/dbraw/zinc/49/44/24/673494424.db2.gz FMBINKMQUNSPFJ-UHFFFAOYSA-N 1 1 355.822 2.223 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000597861752 673513820 /nfs/dbraw/zinc/51/38/20/673513820.db2.gz WWMMYRNMYHYCEW-AWEZNQCLSA-N 1 1 351.451 2.035 20 5 FEBDMO Nc1c(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000598220069 673549693 /nfs/dbraw/zinc/54/96/93/673549693.db2.gz OVICKLZBEXGGHD-GFCCVEGCSA-N 1 1 350.394 2.453 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598606196 673589218 /nfs/dbraw/zinc/58/92/18/673589218.db2.gz JTLUTPRQKZGOSG-UHFFFAOYSA-N 1 1 366.443 2.427 20 5 FEBDMO CCOC(=O)c1sc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)nc1C ZINC000542616156 673593345 /nfs/dbraw/zinc/59/33/45/673593345.db2.gz RKFBOLDPDULDQA-SNVBAGLBSA-N 1 1 353.404 2.084 20 5 FEBDMO NS(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126513 673635315 /nfs/dbraw/zinc/63/53/15/673635315.db2.gz IZALWDLMMWQBLE-ZDUSSCGKSA-N 1 1 368.459 2.061 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000543674777 673660524 /nfs/dbraw/zinc/66/05/24/673660524.db2.gz NUHPOHDSHQBHKR-AAEUAGOBSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000543674777 673660528 /nfs/dbraw/zinc/66/05/28/673660528.db2.gz NUHPOHDSHQBHKR-AAEUAGOBSA-N 1 1 353.444 2.115 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000599390237 673667820 /nfs/dbraw/zinc/66/78/20/673667820.db2.gz IOGGYSWMLPGZOD-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000599415248 673672820 /nfs/dbraw/zinc/67/28/20/673672820.db2.gz LVTOFMQXGWKZJD-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000742412344 673726995 /nfs/dbraw/zinc/72/69/95/673726995.db2.gz PMJRZEPIBNCJAH-ZJUUUORDSA-N 1 1 352.347 2.184 20 5 FEBDMO Nc1c(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc(F)cc1[N+](=O)[O-] ZINC000600229946 673750158 /nfs/dbraw/zinc/75/01/58/673750158.db2.gz YQVRMEIZCNEGEG-CYBMUJFWSA-N 1 1 350.394 2.453 20 5 FEBDMO COC(=O)CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000743872153 673774419 /nfs/dbraw/zinc/77/44/19/673774419.db2.gz KDVKTTLBZDLTOY-UHFFFAOYSA-N 1 1 352.387 2.018 20 5 FEBDMO Cc1c(Br)c(N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC000601185201 673831630 /nfs/dbraw/zinc/83/16/30/673831630.db2.gz QZGNMJFSAAAQOP-MNOVXSKESA-N 1 1 355.236 2.449 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c([N+](=O)[O-])s1 ZINC000601341498 673845179 /nfs/dbraw/zinc/84/51/79/673845179.db2.gz DAPQYAGPLGQEAI-ZDUSSCGKSA-N 1 1 367.452 2.300 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601347356 673846364 /nfs/dbraw/zinc/84/63/64/673846364.db2.gz IYCNXGPNKRFZNQ-LBPRGKRZSA-N 1 1 359.423 2.005 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601355285 673847138 /nfs/dbraw/zinc/84/71/38/673847138.db2.gz NAXYKFYYEKCRKE-PWSUYJOCSA-N 1 1 361.489 2.458 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372045 673850080 /nfs/dbraw/zinc/85/00/80/673850080.db2.gz QMEMYIPOGBKCOP-JSGCOSHPSA-N 1 1 371.434 2.147 20 5 FEBDMO O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601958224 673900129 /nfs/dbraw/zinc/90/01/29/673900129.db2.gz YVECMMWRMGHGCV-KRWDZBQOSA-N 1 1 363.801 2.047 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614923365 676196700 /nfs/dbraw/zinc/19/67/00/676196700.db2.gz HNCSPAKVMFARNQ-UHFFFAOYSA-N 1 1 351.447 2.271 20 5 FEBDMO CO[C@](C)(C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CC1 ZINC000602448438 673906245 /nfs/dbraw/zinc/90/62/45/673906245.db2.gz UCXZJGSDEKRLFT-MRXNPFEDSA-N 1 1 353.444 2.229 20 5 FEBDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767098 673910753 /nfs/dbraw/zinc/91/07/53/673910753.db2.gz VSJWRVHYDUISJO-HIFRSBDPSA-N 1 1 351.451 2.117 20 5 FEBDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602769048 673910868 /nfs/dbraw/zinc/91/08/68/673910868.db2.gz LYBNVVQYBVDOHQ-DZGCQCFKSA-N 1 1 351.451 2.117 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ncc(Br)cn1 ZINC000602840234 673911887 /nfs/dbraw/zinc/91/18/87/673911887.db2.gz MKBGWMYLYKRYMG-QMMMGPOBSA-N 1 1 355.196 2.003 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000602889784 673912813 /nfs/dbraw/zinc/91/28/13/673912813.db2.gz VMQVGTKWCTWPRM-ZNMIVQPWSA-N 1 1 350.419 2.153 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000603109707 673917268 /nfs/dbraw/zinc/91/72/68/673917268.db2.gz FJAZQRUERQYRCT-CABCVRRESA-N 1 1 367.833 2.477 20 5 FEBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1C(F)F ZINC000567672142 675311158 /nfs/dbraw/zinc/31/11/58/675311158.db2.gz GLTPNURPOYVPKD-JTQLQIEISA-N 1 1 364.146 2.036 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823184467 675534843 /nfs/dbraw/zinc/53/48/43/675534843.db2.gz FTNLIQUVCPKSNK-OAHLLOKOSA-N 1 1 354.838 2.459 20 5 FEBDMO C[NH+]1CCN(C2CCN(C(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)CC1 ZINC000827445285 675756436 /nfs/dbraw/zinc/75/64/36/675756436.db2.gz KSBSFXYPZXHATK-UHFFFAOYSA-N 1 1 366.849 2.100 20 5 FEBDMO CS(=O)(=O)[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000619723444 676392381 /nfs/dbraw/zinc/39/23/81/676392381.db2.gz XTRPICPHHFESGO-INIZCTEOSA-N 1 1 356.444 2.263 20 5 FEBDMO CS(=O)(=O)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000619723444 676392383 /nfs/dbraw/zinc/39/23/83/676392383.db2.gz XTRPICPHHFESGO-INIZCTEOSA-N 1 1 356.444 2.263 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000830024334 677022341 /nfs/dbraw/zinc/02/23/41/677022341.db2.gz QWVNAMPAWSBYPC-MWDXBVQZSA-N 1 1 361.467 2.394 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000838344949 680687707 /nfs/dbraw/zinc/68/77/07/680687707.db2.gz KAUKZYLCIWBZMM-GFCCVEGCSA-N 1 1 370.427 2.030 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000748352150 679954754 /nfs/dbraw/zinc/95/47/54/679954754.db2.gz ZGOBOQDFTGNKBS-JTQLQIEISA-N 1 1 361.320 2.312 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000748352150 679954759 /nfs/dbraw/zinc/95/47/59/679954759.db2.gz ZGOBOQDFTGNKBS-JTQLQIEISA-N 1 1 361.320 2.312 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)[C@@H](C)C1 ZINC000832361453 680126670 /nfs/dbraw/zinc/12/66/70/680126670.db2.gz ZAUQUNSXFLQMHX-JTQLQIEISA-N 1 1 368.821 2.373 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)[C@@H](C)C1 ZINC000832361453 680126676 /nfs/dbraw/zinc/12/66/76/680126676.db2.gz ZAUQUNSXFLQMHX-JTQLQIEISA-N 1 1 368.821 2.373 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000832490056 680139542 /nfs/dbraw/zinc/13/95/42/680139542.db2.gz IUZDQEGQCOMCBX-RYUDHWBXSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000832490056 680139543 /nfs/dbraw/zinc/13/95/43/680139543.db2.gz IUZDQEGQCOMCBX-RYUDHWBXSA-N 1 1 355.822 2.084 20 5 FEBDMO O=C(NCC[NH+]1CCC1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000752294812 680234336 /nfs/dbraw/zinc/23/43/36/680234336.db2.gz DTKFIJSXNQNYGW-UHFFFAOYSA-N 1 1 362.611 2.446 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000996428860 680332242 /nfs/dbraw/zinc/33/22/42/680332242.db2.gz JKOTZPQSPMTORG-IUODEOHRSA-N 1 1 355.797 2.225 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2nsc3ccccc32)CC1 ZINC000996429742 680332344 /nfs/dbraw/zinc/33/23/44/680332344.db2.gz VROSCFMNVCXOOM-UKRRQHHQSA-N 1 1 360.439 2.042 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)[N@H+]1CCO ZINC000836600134 680487922 /nfs/dbraw/zinc/48/79/22/680487922.db2.gz QLOPFJJLKBTQDI-PHIMTYICSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H](C)[N@@H+]1CCO ZINC000836600134 680487923 /nfs/dbraw/zinc/48/79/23/680487923.db2.gz QLOPFJJLKBTQDI-PHIMTYICSA-N 1 1 356.810 2.167 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000837191347 680565862 /nfs/dbraw/zinc/56/58/62/680565862.db2.gz NGLYFPYLWDKCTQ-GFCCVEGCSA-N 1 1 352.410 2.355 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000766556969 680881379 /nfs/dbraw/zinc/88/13/79/680881379.db2.gz QXTUOOYIOTXHIL-MNOVXSKESA-N 1 1 350.375 2.366 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C[C@H]1C ZINC000766556969 680881381 /nfs/dbraw/zinc/88/13/81/680881381.db2.gz QXTUOOYIOTXHIL-MNOVXSKESA-N 1 1 350.375 2.366 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841706741 680908359 /nfs/dbraw/zinc/90/83/59/680908359.db2.gz IHDOSFCFGAJNFR-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841706741 680908360 /nfs/dbraw/zinc/90/83/60/680908360.db2.gz IHDOSFCFGAJNFR-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO Cc1nn(C)c(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000769089770 680970572 /nfs/dbraw/zinc/97/05/72/680970572.db2.gz CVMCZKJQFZLAEV-UHFFFAOYSA-N 1 1 350.350 2.065 20 5 FEBDMO Cc1c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000769141887 680972447 /nfs/dbraw/zinc/97/24/47/680972447.db2.gz PLOBYFJHVVYTMT-ZJUUUORDSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000769141887 680972448 /nfs/dbraw/zinc/97/24/48/680972448.db2.gz PLOBYFJHVVYTMT-ZJUUUORDSA-N 1 1 350.375 2.284 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000770016890 681002979 /nfs/dbraw/zinc/00/29/79/681002979.db2.gz RHCVCKXGWVNVKM-GFCCVEGCSA-N 1 1 356.810 2.481 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000770115406 681006170 /nfs/dbraw/zinc/00/61/70/681006170.db2.gz QEGVRLPAJNRYMW-UHFFFAOYSA-N 1 1 354.838 2.157 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@](O)(c3ccc(Cl)cc3)C2)n1 ZINC000844373380 681054873 /nfs/dbraw/zinc/05/48/73/681054873.db2.gz LKHFFUOXIAUXNP-MRXNPFEDSA-N 1 1 350.806 2.428 20 5 FEBDMO COCCOCC[NH+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000844468622 681060972 /nfs/dbraw/zinc/06/09/72/681060972.db2.gz XQHIVMKNIXCVSF-UHFFFAOYSA-N 1 1 357.838 2.029 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000844640212 681069707 /nfs/dbraw/zinc/06/97/07/681069707.db2.gz HFQHXNSXGWAKMO-USWWRNFRSA-N 1 1 350.375 2.365 20 5 FEBDMO COc1cc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c([N+](=O)[O-])cc1F ZINC000932777683 681308278 /nfs/dbraw/zinc/30/82/78/681308278.db2.gz TYYUTWUKOZKWHI-CYBMUJFWSA-N 1 1 353.350 2.063 20 5 FEBDMO C[C@]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000776590969 681412583 /nfs/dbraw/zinc/41/25/83/681412583.db2.gz KWUYLJPSPHXDNO-NVXWUHKLSA-N 1 1 363.801 2.272 20 5 FEBDMO O=C1NCCN1CC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000933588057 681438122 /nfs/dbraw/zinc/43/81/22/681438122.db2.gz XHEJZZJCRAJTIW-UHFFFAOYSA-N 1 1 352.822 2.485 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580005 681581919 /nfs/dbraw/zinc/58/19/19/681581919.db2.gz FPLWNDAJHZXCTI-NSHDSACASA-N 1 1 355.341 2.167 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)C(F)(F)Oc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000848589989 681584802 /nfs/dbraw/zinc/58/48/02/681584802.db2.gz JAEHCSSJIAKBMT-OAHLLOKOSA-N 1 1 355.341 2.121 20 5 FEBDMO C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCO1 ZINC000934965671 681666104 /nfs/dbraw/zinc/66/61/04/681666104.db2.gz MGFJICNFOSFSIX-NHYWBVRUSA-N 1 1 355.822 2.016 20 5 FEBDMO C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCO1 ZINC000934965671 681666106 /nfs/dbraw/zinc/66/61/06/681666106.db2.gz MGFJICNFOSFSIX-NHYWBVRUSA-N 1 1 355.822 2.016 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000779892629 681767269 /nfs/dbraw/zinc/76/72/69/681767269.db2.gz JLEJBDLPONAXRZ-LBPRGKRZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000779892629 681767274 /nfs/dbraw/zinc/76/72/74/681767274.db2.gz JLEJBDLPONAXRZ-LBPRGKRZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000779902383 681769615 /nfs/dbraw/zinc/76/96/15/681769615.db2.gz OZVRQIXYIYWJOI-QWRGUYRKSA-N 1 1 361.851 2.318 20 5 FEBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[NH+](CCCCCO)CC1 ZINC000913689634 685482238 /nfs/dbraw/zinc/48/22/38/685482238.db2.gz XTFSQNSPACJLFM-UHFFFAOYSA-N 1 1 355.822 2.169 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000780865689 681879409 /nfs/dbraw/zinc/87/94/09/681879409.db2.gz BOVKNEPNSOAVES-JTQLQIEISA-N 1 1 361.851 2.319 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000850551267 681915419 /nfs/dbraw/zinc/91/54/19/681915419.db2.gz UNELLOMGMHFTGR-SNVBAGLBSA-N 1 1 368.821 2.176 20 5 FEBDMO COCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783522075 682149266 /nfs/dbraw/zinc/14/92/66/682149266.db2.gz ILEZMDNGXWONGG-UHFFFAOYSA-N 1 1 355.822 2.223 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000916666388 685526826 /nfs/dbraw/zinc/52/68/26/685526826.db2.gz JXVQHBUOBNWIIY-NEPJUHHUSA-N 1 1 373.862 2.129 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000785728266 682321045 /nfs/dbraw/zinc/32/10/45/682321045.db2.gz FWSFFYSVBRHTMN-TXEJJXNPSA-N 1 1 350.371 2.377 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000785728266 682321049 /nfs/dbraw/zinc/32/10/49/682321049.db2.gz FWSFFYSVBRHTMN-TXEJJXNPSA-N 1 1 350.371 2.377 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(OC(F)F)c1 ZINC000853966270 682495572 /nfs/dbraw/zinc/49/55/72/682495572.db2.gz RRXMGYWOYWSDNC-CYBMUJFWSA-N 1 1 357.357 2.232 20 5 FEBDMO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788761260 682555929 /nfs/dbraw/zinc/55/59/29/682555929.db2.gz YAVGOPAAEIAYAX-SECBINFHSA-N 1 1 355.441 2.493 20 5 FEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc3nsnc3c([N+](=O)[O-])c1)C2 ZINC000854736218 682587543 /nfs/dbraw/zinc/58/75/43/682587543.db2.gz CJYBJEMDEHLWEU-MRXNPFEDSA-N 1 1 361.427 2.157 20 5 FEBDMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)[C@H]1C(C)C ZINC000926252935 683098924 /nfs/dbraw/zinc/09/89/24/683098924.db2.gz AFMDEVILAXQSRV-GKLJAUDBSA-N 1 1 367.471 2.256 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796294947 683150639 /nfs/dbraw/zinc/15/06/39/683150639.db2.gz SOEBUAAYZVLFFN-GXTWGEPZSA-N 1 1 362.304 2.056 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796294947 683150644 /nfs/dbraw/zinc/15/06/44/683150644.db2.gz SOEBUAAYZVLFFN-GXTWGEPZSA-N 1 1 362.304 2.056 20 5 FEBDMO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000796580966 683173912 /nfs/dbraw/zinc/17/39/12/683173912.db2.gz SAOKCBWIHJDWCO-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1C ZINC000919848337 683303230 /nfs/dbraw/zinc/30/32/30/683303230.db2.gz UDXHOASQNYMFKM-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1C ZINC000919848337 683303233 /nfs/dbraw/zinc/30/32/33/683303233.db2.gz UDXHOASQNYMFKM-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000861339747 683390246 /nfs/dbraw/zinc/39/02/46/683390246.db2.gz BYMCWVNKKMKPIP-BBRMVZONSA-N 1 1 354.428 2.339 20 5 FEBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000861342957 683392398 /nfs/dbraw/zinc/39/23/98/683392398.db2.gz FQCPLQKAGJZDHP-GUYCJALGSA-N 1 1 351.403 2.049 20 5 FEBDMO COc1cc(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000861351004 683396043 /nfs/dbraw/zinc/39/60/43/683396043.db2.gz BCXCGOFIRHFFMO-MGPLVRAMSA-N 1 1 356.350 2.009 20 5 FEBDMO CSCCC[N@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000799160043 683430379 /nfs/dbraw/zinc/43/03/79/683430379.db2.gz CJHJQVFWTILIDJ-UHFFFAOYSA-N 1 1 352.416 2.006 20 5 FEBDMO CSCCC[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000799160043 683430381 /nfs/dbraw/zinc/43/03/81/683430381.db2.gz CJHJQVFWTILIDJ-UHFFFAOYSA-N 1 1 352.416 2.006 20 5 FEBDMO C[C@@H]1[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000928440918 683451404 /nfs/dbraw/zinc/45/14/04/683451404.db2.gz ODASTVMLOFCCSM-NOZJJQNGSA-N 1 1 356.220 2.109 20 5 FEBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000929521570 683605815 /nfs/dbraw/zinc/60/58/15/683605815.db2.gz TVAZAGIVCCEIQV-NXEZZACHSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000929521570 683605816 /nfs/dbraw/zinc/60/58/16/683605816.db2.gz TVAZAGIVCCEIQV-NXEZZACHSA-N 1 1 356.220 2.443 20 5 FEBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929619823 683618086 /nfs/dbraw/zinc/61/80/86/683618086.db2.gz LHTZTIYFXRJMDH-JTQLQIEISA-N 1 1 356.220 2.315 20 5 FEBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929619823 683618089 /nfs/dbraw/zinc/61/80/89/683618089.db2.gz LHTZTIYFXRJMDH-JTQLQIEISA-N 1 1 356.220 2.315 20 5 FEBDMO Cc1c(CNC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cccc1[N+](=O)[O-] ZINC000922168238 683673009 /nfs/dbraw/zinc/67/30/09/683673009.db2.gz MPRNCZMJSLXGFD-GOEBONIOSA-N 1 1 364.471 2.282 20 5 FEBDMO O=C1C[C@@]2(CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)CN1 ZINC000930265872 683701964 /nfs/dbraw/zinc/70/19/64/683701964.db2.gz IQZFPDRIOQHHQK-AWEZNQCLSA-N 1 1 354.204 2.069 20 5 FEBDMO O=C1C[C@@]2(CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)C2)CN1 ZINC000930265872 683701966 /nfs/dbraw/zinc/70/19/66/683701966.db2.gz IQZFPDRIOQHHQK-AWEZNQCLSA-N 1 1 354.204 2.069 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867475935 684290325 /nfs/dbraw/zinc/29/03/25/684290325.db2.gz NJJBHWBXYRWTJD-UHFFFAOYSA-N 1 1 370.247 2.452 20 5 FEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931720107 684335377 /nfs/dbraw/zinc/33/53/77/684335377.db2.gz LNMHFRLJWUCBRM-GXTWGEPZSA-N 1 1 350.394 2.231 20 5 FEBDMO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931720107 684335381 /nfs/dbraw/zinc/33/53/81/684335381.db2.gz LNMHFRLJWUCBRM-GXTWGEPZSA-N 1 1 350.394 2.231 20 5 FEBDMO CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000931720107 684335389 /nfs/dbraw/zinc/33/53/89/684335389.db2.gz LNMHFRLJWUCBRM-GXTWGEPZSA-N 1 1 350.394 2.231 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c([N+](=O)[O-])cc1OC ZINC000871152206 684791188 /nfs/dbraw/zinc/79/11/88/684791188.db2.gz RYNGQQWMXNLEAQ-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000874828155 685676327 /nfs/dbraw/zinc/67/63/27/685676327.db2.gz FVTVRFIRSPSMCL-NWDGAFQWSA-N 1 1 369.219 2.061 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](O)C3)o2)c(Cl)c1 ZINC000877749205 686449493 /nfs/dbraw/zinc/44/94/93/686449493.db2.gz QILKZAAMRKWING-CABCVRRESA-N 1 1 352.774 2.436 20 5 FEBDMO O=C1NCCC12CC[NH+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC2 ZINC000877783532 686456805 /nfs/dbraw/zinc/45/68/05/686456805.db2.gz YWXKGPHHXPGCJG-UHFFFAOYSA-N 1 1 355.341 2.298 20 5 FEBDMO CC[NH+]1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 ZINC000877933124 686485079 /nfs/dbraw/zinc/48/50/79/686485079.db2.gz FSFIRKYCMCACIO-UHFFFAOYSA-N 1 1 351.794 2.436 20 5 FEBDMO C[C@H]1CN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000878315826 686563377 /nfs/dbraw/zinc/56/33/77/686563377.db2.gz COHFZKBNQWABMZ-JTQLQIEISA-N 1 1 351.794 2.434 20 5 FEBDMO C[C@H]1CN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000878315826 686563380 /nfs/dbraw/zinc/56/33/80/686563380.db2.gz COHFZKBNQWABMZ-JTQLQIEISA-N 1 1 351.794 2.434 20 5 FEBDMO COCC1([N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC000880188194 687013368 /nfs/dbraw/zinc/01/33/68/687013368.db2.gz UDNSRGPUEKSYMU-UHFFFAOYSA-N 1 1 351.403 2.433 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884951088 687971751 /nfs/dbraw/zinc/97/17/51/687971751.db2.gz XLWPVQBSUWOEJI-NEPJUHHUSA-N 1 1 359.835 2.153 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)cc1[N+](=O)[O-] ZINC000884958134 687975539 /nfs/dbraw/zinc/97/55/39/687975539.db2.gz ZLCMXNCRFCRWTF-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887923125 688520378 /nfs/dbraw/zinc/52/03/78/688520378.db2.gz OJOOIDLFWOPSKU-BMIGLBTASA-N 1 1 368.231 2.381 20 5 FEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 ZINC000888285928 688577869 /nfs/dbraw/zinc/57/78/69/688577869.db2.gz AIIJOLLKWPUVQO-GFCCVEGCSA-N 1 1 370.837 2.477 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC000889751773 688816754 /nfs/dbraw/zinc/81/67/54/688816754.db2.gz SBZRYNLAPQVGJO-HUUCEWRRSA-N 1 1 367.833 2.228 20 5 FEBDMO C[C@@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895248742 689684146 /nfs/dbraw/zinc/68/41/46/689684146.db2.gz MYPVXAYVPOJWBY-IAQYHMDHSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895248742 689684155 /nfs/dbraw/zinc/68/41/55/689684155.db2.gz MYPVXAYVPOJWBY-IAQYHMDHSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895248742 689684158 /nfs/dbraw/zinc/68/41/58/689684158.db2.gz MYPVXAYVPOJWBY-IAQYHMDHSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895250054 689684448 /nfs/dbraw/zinc/68/44/48/689684448.db2.gz ZWBVSHQCFMSFQU-MEDUHNTESA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@H]1CN(C)CC[N@@H+]1C ZINC000895250054 689684454 /nfs/dbraw/zinc/68/44/54/689684454.db2.gz ZWBVSHQCFMSFQU-MEDUHNTESA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@H]1CN(C)CC[N@H+]1C ZINC000895250054 689684457 /nfs/dbraw/zinc/68/44/57/689684457.db2.gz ZWBVSHQCFMSFQU-MEDUHNTESA-N 1 1 363.849 2.265 20 5 FEBDMO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895567518 689736555 /nfs/dbraw/zinc/73/65/55/689736555.db2.gz QSJLOHLWFWJUFH-OLZOCXBDSA-N 1 1 366.443 2.158 20 5 FEBDMO CCOC(=O)c1ccnc(N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895567518 689736556 /nfs/dbraw/zinc/73/65/56/689736556.db2.gz QSJLOHLWFWJUFH-OLZOCXBDSA-N 1 1 366.443 2.158 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000902904415 690818868 /nfs/dbraw/zinc/81/88/68/690818868.db2.gz KJAZXUQOAJQSBQ-UONOGXRCSA-N 1 1 354.407 2.435 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)c1F ZINC000906442280 691269000 /nfs/dbraw/zinc/26/90/00/691269000.db2.gz ZEVRMNKYRJZKDA-ZDUSSCGKSA-N 1 1 351.378 2.025 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000908539717 691695512 /nfs/dbraw/zinc/69/55/12/691695512.db2.gz BGXKPQDCVWIOOY-HNNXBMFYSA-N 1 1 369.849 2.144 20 5 FEBDMO COc1nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164621736 719052304 /nfs/dbraw/zinc/05/23/04/719052304.db2.gz JPMUQHSNXHCUCT-RDJZCZTQSA-N 1 1 369.425 2.494 20 5 FEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC001164811020 720074534 /nfs/dbraw/zinc/07/45/34/720074534.db2.gz NAMFEHMGNKLUSM-VQIMIIECSA-N 1 1 360.458 2.483 20 5 FEBDMO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926900 721871514 /nfs/dbraw/zinc/87/15/14/721871514.db2.gz SPIFUNOOEJXMIV-IRXDYDNUSA-N 1 1 355.442 2.358 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nc2ccccc2cc1[N+](=O)[O-] ZINC001164926900 721871517 /nfs/dbraw/zinc/87/15/17/721871517.db2.gz SPIFUNOOEJXMIV-IRXDYDNUSA-N 1 1 355.442 2.358 20 5 FEBDMO O=[N+]([O-])c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164979174 722100731 /nfs/dbraw/zinc/10/07/31/722100731.db2.gz HGASRGJUXSEYSE-WMZOPIPTSA-N 1 1 369.425 2.112 20 5 FEBDMO CC(C)Oc1nc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000519776447 887883826 /nfs/dbraw/zinc/88/38/26/887883826.db2.gz OWMSUMHIKDYYRT-MRXNPFEDSA-N 1 1 365.478 2.461 20 5 FEBDMO CC(C)[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CC[NH+](C)CC1 ZINC000486428297 887912133 /nfs/dbraw/zinc/91/21/33/887912133.db2.gz BZXCEOZIZTWAOZ-INIZCTEOSA-N 1 1 374.445 2.329 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000023991825 539722906 /nfs/dbraw/zinc/72/29/06/539722906.db2.gz PMJXRIJPAIWQCJ-ZDUSSCGKSA-N 1 1 360.370 2.420 20 5 FEBDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000023991825 539722909 /nfs/dbraw/zinc/72/29/09/539722909.db2.gz PMJXRIJPAIWQCJ-ZDUSSCGKSA-N 1 1 360.370 2.420 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000028013330 539823936 /nfs/dbraw/zinc/82/39/36/539823936.db2.gz NYKOYNFLIUUBOY-ZDUSSCGKSA-N 1 1 355.822 2.335 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)c1ccco1 ZINC000031208785 539901147 /nfs/dbraw/zinc/90/11/47/539901147.db2.gz QTBFFFSTMHTDCW-INIZCTEOSA-N 1 1 369.381 2.406 20 5 FEBDMO C[N@H+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](c2ccccc2)C1 ZINC000033135233 539969905 /nfs/dbraw/zinc/96/99/05/539969905.db2.gz KWHVYWSJOKVKNJ-MRXNPFEDSA-N 1 1 372.425 2.296 20 5 FEBDMO CN1CC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](c2ccccc2)C1 ZINC000033135233 539969909 /nfs/dbraw/zinc/96/99/09/539969909.db2.gz KWHVYWSJOKVKNJ-MRXNPFEDSA-N 1 1 372.425 2.296 20 5 FEBDMO CN1CC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)[C@@H](c2ccccc2)C1 ZINC000033135233 539969912 /nfs/dbraw/zinc/96/99/12/539969912.db2.gz KWHVYWSJOKVKNJ-MRXNPFEDSA-N 1 1 372.425 2.296 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000036755447 539994387 /nfs/dbraw/zinc/99/43/87/539994387.db2.gz DTRIFEJGPVVMJC-UHFFFAOYSA-N 1 1 368.437 2.076 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000041644469 540028509 /nfs/dbraw/zinc/02/85/09/540028509.db2.gz NLKVWKDAHZVULP-QWHCGFSZSA-N 1 1 362.430 2.221 20 5 FEBDMO Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000043148286 540091425 /nfs/dbraw/zinc/09/14/25/540091425.db2.gz UEOXBIHLYUCFOH-OAHLLOKOSA-N 1 1 350.419 2.382 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000051042692 540420010 /nfs/dbraw/zinc/42/00/10/540420010.db2.gz GKUWHCFOBZCDNP-CQSZACIVSA-N 1 1 373.413 2.383 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000051042692 540420012 /nfs/dbraw/zinc/42/00/12/540420012.db2.gz GKUWHCFOBZCDNP-CQSZACIVSA-N 1 1 373.413 2.383 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC000052153810 540455733 /nfs/dbraw/zinc/45/57/33/540455733.db2.gz MHMDMCOIFYUVSP-SNVBAGLBSA-N 1 1 352.778 2.337 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000052305693 540461632 /nfs/dbraw/zinc/46/16/32/540461632.db2.gz QZHIOIPQTUMFNI-BETUJISGSA-N 1 1 370.475 2.022 20 5 FEBDMO CN1CC[NH+](Cc2ccc(CNC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000053237946 540519498 /nfs/dbraw/zinc/51/94/98/540519498.db2.gz OYSLPABKHPRPSL-UHFFFAOYSA-N 1 1 374.466 2.334 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000053691202 540550323 /nfs/dbraw/zinc/55/03/23/540550323.db2.gz XDSQWZFBZZOICS-UHFFFAOYSA-N 1 1 363.439 2.146 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000053691202 540550326 /nfs/dbraw/zinc/55/03/26/540550326.db2.gz XDSQWZFBZZOICS-UHFFFAOYSA-N 1 1 363.439 2.146 20 5 FEBDMO COc1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000054220668 540575508 /nfs/dbraw/zinc/57/55/08/540575508.db2.gz JDZGDMCLUVQCLZ-UHFFFAOYSA-N 1 1 361.423 2.453 20 5 FEBDMO COc1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1[N+](=O)[O-] ZINC000054220668 540575510 /nfs/dbraw/zinc/57/55/10/540575510.db2.gz JDZGDMCLUVQCLZ-UHFFFAOYSA-N 1 1 361.423 2.453 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000055913497 540686667 /nfs/dbraw/zinc/68/66/67/540686667.db2.gz IPTUSGDOHJUZSU-CYBMUJFWSA-N 1 1 374.441 2.221 20 5 FEBDMO Cn1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000055996738 540693209 /nfs/dbraw/zinc/69/32/09/540693209.db2.gz BDPRBGPBTYMOTO-IAGOWNOFSA-N 1 1 369.425 2.352 20 5 FEBDMO COc1ccc(CSCC(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000057710081 540811194 /nfs/dbraw/zinc/81/11/94/540811194.db2.gz BOLDSLPJMWROIZ-LBPRGKRZSA-N 1 1 367.471 2.436 20 5 FEBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000058459395 540844581 /nfs/dbraw/zinc/84/45/81/540844581.db2.gz CHJHDYJFWFJANQ-UHFFFAOYSA-N 1 1 373.384 2.496 20 5 FEBDMO CCOc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000058925285 540860587 /nfs/dbraw/zinc/86/05/87/540860587.db2.gz ZEURDXPJJMQLAM-LBPRGKRZSA-N 1 1 351.403 2.074 20 5 FEBDMO COCCC[N@@H+](CCOC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000063550003 541172835 /nfs/dbraw/zinc/17/28/35/541172835.db2.gz TXBSDSJFYRHLIG-UHFFFAOYSA-N 1 1 353.419 2.217 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000063850924 541189547 /nfs/dbraw/zinc/18/95/47/541189547.db2.gz IDYHZKFDWBJCDI-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO CC[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1CCc2ccccc2C1 ZINC000063768778 541184532 /nfs/dbraw/zinc/18/45/32/541184532.db2.gz GMJCJGUSYQGPAQ-KRWDZBQOSA-N 1 1 371.441 2.135 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)[C@H](C)CC)cc1OC ZINC000066150027 541285043 /nfs/dbraw/zinc/28/50/43/541285043.db2.gz UCLFDFYNECLDNS-GFCCVEGCSA-N 1 1 353.419 2.462 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000066396051 541313241 /nfs/dbraw/zinc/31/32/41/541313241.db2.gz VDARQUOMSJOFGW-LLYBFZRZSA-N 1 1 359.426 2.320 20 5 FEBDMO C[NH+]1CCN(C(=O)CC2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000066860317 541382527 /nfs/dbraw/zinc/38/25/27/541382527.db2.gz LJTIAMJYGDXRTE-UHFFFAOYSA-N 1 1 364.421 2.114 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000071079884 541762960 /nfs/dbraw/zinc/76/29/60/541762960.db2.gz KKYQEKSIFCJTSA-UHFFFAOYSA-N 1 1 351.403 2.169 20 5 FEBDMO CNC(=O)c1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072665160 541847704 /nfs/dbraw/zinc/84/77/04/541847704.db2.gz OYRPHRKGMAEZNN-HNNXBMFYSA-N 1 1 355.398 2.036 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000072716361 541855338 /nfs/dbraw/zinc/85/53/38/541855338.db2.gz KPJSCFVNKVTAKS-LBPRGKRZSA-N 1 1 359.473 2.009 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072858551 541883475 /nfs/dbraw/zinc/88/34/75/541883475.db2.gz UKZWMTNTPUVWTF-AWEZNQCLSA-N 1 1 362.430 2.166 20 5 FEBDMO Cc1c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000073997209 542024029 /nfs/dbraw/zinc/02/40/29/542024029.db2.gz FYRNGHUFYBMLGY-OLZOCXBDSA-N 1 1 362.386 2.429 20 5 FEBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000074105016 542037530 /nfs/dbraw/zinc/03/75/30/542037530.db2.gz FCBPJSFWTWYTGV-KBPBESRZSA-N 1 1 367.471 2.302 20 5 FEBDMO Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000075676675 542197972 /nfs/dbraw/zinc/19/79/72/542197972.db2.gz FRNRQGYGWZIZDF-HKUYNNGSSA-N 1 1 358.442 2.415 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1C ZINC000827574343 675765934 /nfs/dbraw/zinc/76/59/34/675765934.db2.gz YHOBKGBRFVSFTH-NXEZZACHSA-N 1 1 371.235 2.307 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1C ZINC000827574343 675765936 /nfs/dbraw/zinc/76/59/36/675765936.db2.gz YHOBKGBRFVSFTH-NXEZZACHSA-N 1 1 371.235 2.307 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000076660588 542307740 /nfs/dbraw/zinc/30/77/40/542307740.db2.gz CNBDQEYHDMHBRN-CQSZACIVSA-N 1 1 362.430 2.032 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079806088 542543383 /nfs/dbraw/zinc/54/33/83/542543383.db2.gz ICOZJDBHUMTEPZ-SNVBAGLBSA-N 1 1 356.220 2.381 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1nnc2ccccn21 ZINC000081007919 542623374 /nfs/dbraw/zinc/62/33/74/542623374.db2.gz VNEOYCORGZYXJT-UHFFFAOYSA-N 1 1 368.397 2.407 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)Cc1nnc2ccccn21 ZINC000081007919 542623375 /nfs/dbraw/zinc/62/33/75/542623375.db2.gz VNEOYCORGZYXJT-UHFFFAOYSA-N 1 1 368.397 2.407 20 5 FEBDMO CN(C(=O)CN1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000081631852 542669315 /nfs/dbraw/zinc/66/93/15/542669315.db2.gz KPTQUTLROFBIJN-MRXNPFEDSA-N 1 1 360.458 2.221 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCC(CO)CC1 ZINC000089923510 542772740 /nfs/dbraw/zinc/77/27/40/542772740.db2.gz LOAKAPOEZAWQPO-UHFFFAOYSA-N 1 1 365.430 2.415 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089927154 542774623 /nfs/dbraw/zinc/77/46/23/542774623.db2.gz CNUCXDKKPCXDKO-YNEHKIRRSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089927154 542774624 /nfs/dbraw/zinc/77/46/24/542774624.db2.gz CNUCXDKKPCXDKO-YNEHKIRRSA-N 1 1 351.403 2.023 20 5 FEBDMO Cc1cc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089961494 542777992 /nfs/dbraw/zinc/77/79/92/542777992.db2.gz VJPVWEGVYVCSKC-MSOLQXFVSA-N 1 1 369.421 2.268 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000092660280 542878134 /nfs/dbraw/zinc/87/81/34/542878134.db2.gz UUCNQZPGPKVWJB-GFCCVEGCSA-N 1 1 351.403 2.090 20 5 FEBDMO COc1ccc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000098144626 543023666 /nfs/dbraw/zinc/02/36/66/543023666.db2.gz RKVGUUAITSBOOX-GOSISDBHSA-N 1 1 371.437 2.112 20 5 FEBDMO COc1ccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000098144626 543023668 /nfs/dbraw/zinc/02/36/68/543023668.db2.gz RKVGUUAITSBOOX-GOSISDBHSA-N 1 1 371.437 2.112 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000111294284 543394027 /nfs/dbraw/zinc/39/40/27/543394027.db2.gz QFSUOAOROIFOIZ-AWEZNQCLSA-N 1 1 360.414 2.010 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000113197812 543476886 /nfs/dbraw/zinc/47/68/86/543476886.db2.gz LDQQSNKRBYMXCO-CQSZACIVSA-N 1 1 365.430 2.363 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113305950 543483721 /nfs/dbraw/zinc/48/37/21/543483721.db2.gz KVCFPHXOYOYIDN-WFASDCNBSA-N 1 1 353.444 2.014 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000113899469 543497807 /nfs/dbraw/zinc/49/78/07/543497807.db2.gz HGMHVINUMXMYCJ-DZGCQCFKSA-N 1 1 363.462 2.363 20 5 FEBDMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000114186922 543506860 /nfs/dbraw/zinc/50/68/60/543506860.db2.gz BBSSODLFEBAGGI-LSDHHAIUSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000114186922 543506863 /nfs/dbraw/zinc/50/68/63/543506863.db2.gz BBSSODLFEBAGGI-LSDHHAIUSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000115442035 543567614 /nfs/dbraw/zinc/56/76/14/543567614.db2.gz CFVFEHJHDWZEKO-GFCCVEGCSA-N 1 1 351.403 2.026 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000123833272 543785214 /nfs/dbraw/zinc/78/52/14/543785214.db2.gz VZEKGBIXBJHQEV-CYBMUJFWSA-N 1 1 358.398 2.500 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCc2ccccn2)c([N+](=O)[O-])c1 ZINC000123833272 543785218 /nfs/dbraw/zinc/78/52/18/543785218.db2.gz VZEKGBIXBJHQEV-CYBMUJFWSA-N 1 1 358.398 2.500 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000123598412 543771403 /nfs/dbraw/zinc/77/14/03/543771403.db2.gz JJBRKHGSLHGGME-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000124490951 543825357 /nfs/dbraw/zinc/82/53/57/543825357.db2.gz IIZRUMIMUXSBAU-GFCCVEGCSA-N 1 1 352.410 2.414 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124054054 543798950 /nfs/dbraw/zinc/79/89/50/543798950.db2.gz ZSDFJEWAMLDFFI-KOLCDFICSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000124054054 543798952 /nfs/dbraw/zinc/79/89/52/543798952.db2.gz ZSDFJEWAMLDFFI-KOLCDFICSA-N 1 1 373.862 2.460 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH+](C2CC2)CC1 ZINC000124660000 543835256 /nfs/dbraw/zinc/83/52/56/543835256.db2.gz CQNHXGZRDMVMJZ-NSHDSACASA-N 1 1 353.806 2.322 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000125034346 543857453 /nfs/dbraw/zinc/85/74/53/543857453.db2.gz GVUWYLCORKBEGG-INIZCTEOSA-N 1 1 371.441 2.421 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000125374321 543877707 /nfs/dbraw/zinc/87/77/07/543877707.db2.gz FIDNUDWDQSEAPU-KDOFPFPSSA-N 1 1 359.426 2.449 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC[N@@H+]1CCOC ZINC000127980748 544025119 /nfs/dbraw/zinc/02/51/19/544025119.db2.gz ZTZGXDUUNYVNON-HNNXBMFYSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC[N@H+]1CCOC ZINC000127980748 544025120 /nfs/dbraw/zinc/02/51/20/544025120.db2.gz ZTZGXDUUNYVNON-HNNXBMFYSA-N 1 1 365.430 2.176 20 5 FEBDMO CN1CCC[C@@H](C[N@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128702892 544068020 /nfs/dbraw/zinc/06/80/20/544068020.db2.gz PLIVPHIDUOEBAB-CYBMUJFWSA-N 1 1 352.410 2.336 20 5 FEBDMO CN1CCC[C@@H](C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128702892 544068022 /nfs/dbraw/zinc/06/80/22/544068022.db2.gz PLIVPHIDUOEBAB-CYBMUJFWSA-N 1 1 352.410 2.336 20 5 FEBDMO CCC[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000128500057 544056000 /nfs/dbraw/zinc/05/60/00/544056000.db2.gz HWJSGNWKROSNEA-SFHVURJKSA-N 1 1 363.458 2.487 20 5 FEBDMO C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1n1ccnc1 ZINC000129480103 544114420 /nfs/dbraw/zinc/11/44/20/544114420.db2.gz MOETYOGWRVILBU-OLMNPRSZSA-N 1 1 369.425 2.480 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000129907541 544131375 /nfs/dbraw/zinc/13/13/75/544131375.db2.gz WZSHBTCMCQOSEH-CYBMUJFWSA-N 1 1 358.398 2.500 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccn1 ZINC000129907541 544131376 /nfs/dbraw/zinc/13/13/76/544131376.db2.gz WZSHBTCMCQOSEH-CYBMUJFWSA-N 1 1 358.398 2.500 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000130331674 544146858 /nfs/dbraw/zinc/14/68/58/544146858.db2.gz CNBFWARDJWZUBY-UHFFFAOYSA-N 1 1 371.441 2.143 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000131271033 544183322 /nfs/dbraw/zinc/18/33/22/544183322.db2.gz HINQGRRLFUBSTC-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000131289258 544184053 /nfs/dbraw/zinc/18/40/53/544184053.db2.gz AYYZCRCCXIBHFM-UHFFFAOYSA-N 1 1 360.389 2.108 20 5 FEBDMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000131997164 544214743 /nfs/dbraw/zinc/21/47/43/544214743.db2.gz VKIRKXLKIWFHQQ-PBHICJAKSA-N 1 1 360.414 2.283 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133662870 544279175 /nfs/dbraw/zinc/27/91/75/544279175.db2.gz AGTFBTFJZKKKOK-ZBFHGGJFSA-N 1 1 358.442 2.408 20 5 FEBDMO CS(=O)(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000153265788 544754308 /nfs/dbraw/zinc/75/43/08/544754308.db2.gz UUJMJNBWPIVHSY-HNNXBMFYSA-N 1 1 367.471 2.231 20 5 FEBDMO COC(=O)[C@@H](C)C[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000153762388 544819778 /nfs/dbraw/zinc/81/97/78/544819778.db2.gz ZZVWQNDDBOPHFF-NSHDSACASA-N 1 1 360.370 2.418 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000153762388 544819783 /nfs/dbraw/zinc/81/97/83/544819783.db2.gz ZZVWQNDDBOPHFF-NSHDSACASA-N 1 1 360.370 2.418 20 5 FEBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153974834 544848014 /nfs/dbraw/zinc/84/80/14/544848014.db2.gz YALTXDHEPIKKKE-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153974834 544848017 /nfs/dbraw/zinc/84/80/17/544848017.db2.gz YALTXDHEPIKKKE-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000154084631 544862105 /nfs/dbraw/zinc/86/21/05/544862105.db2.gz BVEZVDKUUULVRA-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000154084631 544862109 /nfs/dbraw/zinc/86/21/09/544862109.db2.gz BVEZVDKUUULVRA-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000154236233 544879480 /nfs/dbraw/zinc/87/94/80/544879480.db2.gz UYIZLWULNZPWNA-HNNXBMFYSA-N 1 1 351.451 2.117 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]21 ZINC000154715212 544939328 /nfs/dbraw/zinc/93/93/28/544939328.db2.gz CGALQKCVWYYMPZ-KSSFIOAISA-N 1 1 369.425 2.337 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000154954974 544970748 /nfs/dbraw/zinc/97/07/48/544970748.db2.gz AJEMKWJNKYFLKM-OAHLLOKOSA-N 1 1 355.460 2.231 20 5 FEBDMO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183339111 327812483 /nfs/dbraw/zinc/81/24/83/327812483.db2.gz NFWCESOAYUKRLN-UHFFFAOYSA-N 1 1 355.460 2.149 20 5 FEBDMO CN(C[C@@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000818166899 675200473 /nfs/dbraw/zinc/20/04/73/675200473.db2.gz LRWAALLREYYBBN-AWEZNQCLSA-N 1 1 353.419 2.254 20 5 FEBDMO CN(C[C@@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000818166899 675200476 /nfs/dbraw/zinc/20/04/76/675200476.db2.gz LRWAALLREYYBBN-AWEZNQCLSA-N 1 1 353.419 2.254 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000185090097 327898911 /nfs/dbraw/zinc/89/89/11/327898911.db2.gz RMIZDBQZOIIEGU-UHFFFAOYSA-N 1 1 361.423 2.425 20 5 FEBDMO COc1ccc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000189148325 328131441 /nfs/dbraw/zinc/13/14/41/328131441.db2.gz AZCKUXSTDJINEG-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000189893748 328174352 /nfs/dbraw/zinc/17/43/52/328174352.db2.gz NHOKVMOTCWZDIG-ZDUSSCGKSA-N 1 1 355.460 2.166 20 5 FEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191359087 328261788 /nfs/dbraw/zinc/26/17/88/328261788.db2.gz WVXSFFIYMVYJLS-AWEZNQCLSA-N 1 1 350.419 2.132 20 5 FEBDMO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000191647149 328275559 /nfs/dbraw/zinc/27/55/59/328275559.db2.gz FLGJSDGJWRENEM-QGZVFWFLSA-N 1 1 370.471 2.242 20 5 FEBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000191647149 328275560 /nfs/dbraw/zinc/27/55/60/328275560.db2.gz FLGJSDGJWRENEM-QGZVFWFLSA-N 1 1 370.471 2.242 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000191816617 328283475 /nfs/dbraw/zinc/28/34/75/328283475.db2.gz PKPONNMXUMEPSJ-AAEUAGOBSA-N 1 1 367.377 2.194 20 5 FEBDMO O=C(c1ccc(F)cc1)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000192474482 328320822 /nfs/dbraw/zinc/32/08/22/328320822.db2.gz HFVBDLXZCZAKMY-UHFFFAOYSA-N 1 1 373.384 2.491 20 5 FEBDMO C[C@@H](O)CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000192822513 328341492 /nfs/dbraw/zinc/34/14/92/328341492.db2.gz ANLXBUBTRLRTAK-HUUCEWRRSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H](O)CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000192822513 328341493 /nfs/dbraw/zinc/34/14/93/328341493.db2.gz ANLXBUBTRLRTAK-HUUCEWRRSA-N 1 1 374.441 2.179 20 5 FEBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000052892113 324724730 /nfs/dbraw/zinc/72/47/30/324724730.db2.gz XVDTWBXDUZTAIJ-UHFFFAOYSA-N 1 1 355.460 2.337 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000080485853 325132549 /nfs/dbraw/zinc/13/25/49/325132549.db2.gz PZACJQHZDGRIQV-UHFFFAOYSA-N 1 1 363.336 2.312 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081570354 325184411 /nfs/dbraw/zinc/18/44/11/325184411.db2.gz CBGBCQDTIMDSMD-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000085635819 325256865 /nfs/dbraw/zinc/25/68/65/325256865.db2.gz DESWTWSHPQJTGF-CYBMUJFWSA-N 1 1 363.462 2.217 20 5 FEBDMO COc1cc(C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)ccc1O ZINC000090591148 325364790 /nfs/dbraw/zinc/36/47/90/325364790.db2.gz ZQPJDQLOSKWVHF-UHFFFAOYSA-N 1 1 359.382 2.135 20 5 FEBDMO CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000106395925 325596666 /nfs/dbraw/zinc/59/66/66/325596666.db2.gz AYMDNWBZPJMHOU-OAHLLOKOSA-N 1 1 363.458 2.421 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114710619 325915275 /nfs/dbraw/zinc/91/52/75/325915275.db2.gz VABAZCMKQWAMDE-AWEZNQCLSA-N 1 1 369.425 2.233 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000118841620 326107274 /nfs/dbraw/zinc/10/72/74/326107274.db2.gz AWRXBBDPIGWRSE-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000118841620 326107277 /nfs/dbraw/zinc/10/72/77/326107277.db2.gz AWRXBBDPIGWRSE-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO C[N@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000119337409 326151394 /nfs/dbraw/zinc/15/13/94/326151394.db2.gz XKNSLOJACMNFAE-UHFFFAOYSA-N 1 1 361.851 2.104 20 5 FEBDMO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000119337409 326151397 /nfs/dbraw/zinc/15/13/97/326151397.db2.gz XKNSLOJACMNFAE-UHFFFAOYSA-N 1 1 361.851 2.104 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000119960736 326216351 /nfs/dbraw/zinc/21/63/51/326216351.db2.gz BFBOLRFQDHPRAR-AWEZNQCLSA-N 1 1 362.430 2.175 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000120074106 326227602 /nfs/dbraw/zinc/22/76/02/326227602.db2.gz WIHHHAQWLMASHY-YOEHRIQHSA-N 1 1 371.441 2.127 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000120244625 326243058 /nfs/dbraw/zinc/24/30/58/326243058.db2.gz RFUGWALOOLEWHI-CYBMUJFWSA-N 1 1 373.450 2.380 20 5 FEBDMO CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000120244625 326243060 /nfs/dbraw/zinc/24/30/60/326243060.db2.gz RFUGWALOOLEWHI-CYBMUJFWSA-N 1 1 373.450 2.380 20 5 FEBDMO CCOc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000120701202 326280131 /nfs/dbraw/zinc/28/01/31/326280131.db2.gz KYOOBARLLNHGKB-GXTWGEPZSA-N 1 1 365.430 2.414 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000120724775 326282695 /nfs/dbraw/zinc/28/26/95/326282695.db2.gz ZYZUKISSEVZGQE-MNOVXSKESA-N 1 1 368.821 2.128 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000120901590 326297595 /nfs/dbraw/zinc/29/75/95/326297595.db2.gz PBHONBJCHGWFAV-BLLLJJGKSA-N 1 1 363.414 2.184 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121099519 326313218 /nfs/dbraw/zinc/31/32/18/326313218.db2.gz XBXGCHMMHUKEJJ-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO Cc1cccc2[nH+]c(Cn3nc(-c4ccc([N+](=O)[O-])cc4)oc3=O)cn21 ZINC000130520213 326558540 /nfs/dbraw/zinc/55/85/40/326558540.db2.gz QOBDJVZYVXBQBU-UHFFFAOYSA-N 1 1 351.322 2.416 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000160060256 326951925 /nfs/dbraw/zinc/95/19/25/326951925.db2.gz ZKRMVABMGJJVBF-UHFFFAOYSA-N 1 1 353.394 2.164 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000172581951 327209393 /nfs/dbraw/zinc/20/93/93/327209393.db2.gz KXUMEFADJAPZGQ-GOSISDBHSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)c1 ZINC000173203109 327240832 /nfs/dbraw/zinc/24/08/32/327240832.db2.gz XHYKZBKIEZJUFS-HIFRSBDPSA-N 1 1 371.397 2.173 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000173259874 327244915 /nfs/dbraw/zinc/24/49/15/327244915.db2.gz IPIGHEZTMUJLDO-CZUORRHYSA-N 1 1 355.460 2.087 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C ZINC000173270560 327245679 /nfs/dbraw/zinc/24/56/79/327245679.db2.gz ZHEBPYISKVYLDU-KGLIPLIRSA-N 1 1 355.460 2.315 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000173830934 327287488 /nfs/dbraw/zinc/28/74/88/327287488.db2.gz BVRABYTUQSHBEA-DZGCQCFKSA-N 1 1 353.444 2.151 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000173830107 327287523 /nfs/dbraw/zinc/28/75/23/327287523.db2.gz LGKKFYTUJMGATM-UONOGXRCSA-N 1 1 353.444 2.151 20 5 FEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C2 ZINC000173847310 327288533 /nfs/dbraw/zinc/28/85/33/327288533.db2.gz HYGSACCYVOMJKF-GXTWGEPZSA-N 1 1 371.434 2.370 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000173952941 327297129 /nfs/dbraw/zinc/29/71/29/327297129.db2.gz KOYQRWUYNWYQSZ-GFCCVEGCSA-N 1 1 359.423 2.086 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000174209214 327312902 /nfs/dbraw/zinc/31/29/02/327312902.db2.gz QZJNSLKWTHQXND-ZDUSSCGKSA-N 1 1 365.455 2.111 20 5 FEBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000174213559 327313339 /nfs/dbraw/zinc/31/33/39/327313339.db2.gz GQEMSETXXPQRPY-LBPRGKRZSA-N 1 1 353.806 2.043 20 5 FEBDMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000174370508 327322803 /nfs/dbraw/zinc/32/28/03/327322803.db2.gz KSSHPORYZQSPKQ-QGZVFWFLSA-N 1 1 361.446 2.229 20 5 FEBDMO CC[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000174646510 327341071 /nfs/dbraw/zinc/34/10/71/327341071.db2.gz LURUJBAERPQCKK-RISCZKNCSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000174646510 327341072 /nfs/dbraw/zinc/34/10/72/327341072.db2.gz LURUJBAERPQCKK-RISCZKNCSA-N 1 1 355.822 2.165 20 5 FEBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000175281377 327384393 /nfs/dbraw/zinc/38/43/93/327384393.db2.gz MZZFGEMKEWTIPU-QGZVFWFLSA-N 1 1 371.441 2.162 20 5 FEBDMO C[N@@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000175312044 327386440 /nfs/dbraw/zinc/38/64/40/327386440.db2.gz GJXNGHDIITXXJK-UHFFFAOYSA-N 1 1 367.471 2.375 20 5 FEBDMO C[N@H+]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000175312044 327386441 /nfs/dbraw/zinc/38/64/41/327386441.db2.gz GJXNGHDIITXXJK-UHFFFAOYSA-N 1 1 367.471 2.375 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(F)c2)s1 ZINC000261621419 328806225 /nfs/dbraw/zinc/80/62/25/328806225.db2.gz DKWOXYKNLSXUOL-LBPRGKRZSA-N 1 1 371.415 2.131 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261924406 328829896 /nfs/dbraw/zinc/82/98/96/328829896.db2.gz IXEWSQPIKCTYMC-HNNXBMFYSA-N 1 1 363.805 2.008 20 5 FEBDMO COC(=O)[C@@H]1CC12CC[NH+](Cc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CC2 ZINC000265089599 329089572 /nfs/dbraw/zinc/08/95/72/329089572.db2.gz ULEXHULRSARHNO-AWEZNQCLSA-N 1 1 372.381 2.420 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-] ZINC000265264214 329108631 /nfs/dbraw/zinc/10/86/31/329108631.db2.gz MPLOVPDOOIPBFZ-UHFFFAOYSA-N 1 1 352.778 2.338 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000265741455 329155707 /nfs/dbraw/zinc/15/57/07/329155707.db2.gz BWVJZXAQQKOTQH-UHFFFAOYSA-N 1 1 362.474 2.016 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266212325 329201006 /nfs/dbraw/zinc/20/10/06/329201006.db2.gz GLXABHSKGIWVSY-JSGCOSHPSA-N 1 1 355.460 2.165 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000266743489 329255179 /nfs/dbraw/zinc/25/51/79/329255179.db2.gz FSULASNBAJGLAN-UHFFFAOYSA-N 1 1 366.462 2.483 20 5 FEBDMO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266908669 329271515 /nfs/dbraw/zinc/27/15/15/329271515.db2.gz CIYFXONDAXRWTO-HNNXBMFYSA-N 1 1 360.838 2.483 20 5 FEBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000266908669 329271517 /nfs/dbraw/zinc/27/15/17/329271517.db2.gz CIYFXONDAXRWTO-HNNXBMFYSA-N 1 1 360.838 2.483 20 5 FEBDMO CC[C@H](NC(=O)NCCC[N@@H+](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000267297178 329311780 /nfs/dbraw/zinc/31/17/80/329311780.db2.gz DXHCIHLTDLUADA-INIZCTEOSA-N 1 1 352.435 2.313 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cc([N+](=O)[O-])c1OC ZINC000267470857 329330871 /nfs/dbraw/zinc/33/08/71/329330871.db2.gz SQPSSWLQMHTORS-AWEZNQCLSA-N 1 1 374.397 2.422 20 5 FEBDMO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000275439812 330048927 /nfs/dbraw/zinc/04/89/27/330048927.db2.gz BQVPWKNIGXOHMN-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000275439812 330048928 /nfs/dbraw/zinc/04/89/28/330048928.db2.gz BQVPWKNIGXOHMN-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000275782833 330088424 /nfs/dbraw/zinc/08/84/24/330088424.db2.gz JSOOWYUDRDUURH-ZDUSSCGKSA-N 1 1 368.865 2.312 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000361405634 330202351 /nfs/dbraw/zinc/20/23/51/330202351.db2.gz RAMCYWBDMTXVCP-CQSZACIVSA-N 1 1 357.414 2.140 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000361405634 330202353 /nfs/dbraw/zinc/20/23/53/330202353.db2.gz RAMCYWBDMTXVCP-CQSZACIVSA-N 1 1 357.414 2.140 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000367234666 330234098 /nfs/dbraw/zinc/23/40/98/330234098.db2.gz RIXDBXIYDYJMAO-JKSUJKDBSA-N 1 1 355.394 2.431 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272557213 518195258 /nfs/dbraw/zinc/19/52/58/518195258.db2.gz SIJVDFXLWDBLIR-OAHLLOKOSA-N 1 1 357.414 2.053 20 5 FEBDMO CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000156739178 545653661 /nfs/dbraw/zinc/65/36/61/545653661.db2.gz DORRYTFECQBDFW-ZFWWWQNUSA-N 1 1 362.430 2.030 20 5 FEBDMO O=[N+]([O-])c1ccc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000478302923 561163894 /nfs/dbraw/zinc/16/38/94/561163894.db2.gz MPBAOFQXACCRBK-IBGZPJMESA-N 1 1 359.401 2.461 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172234678 546242707 /nfs/dbraw/zinc/24/27/07/546242707.db2.gz XJZOMTLKFKUSRF-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO CCOC(=O)c1c[nH+]ccc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000479910521 561199353 /nfs/dbraw/zinc/19/93/53/561199353.db2.gz MAKCDZPINVSVRO-UHFFFAOYSA-N 1 1 356.382 2.493 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000479943782 561199906 /nfs/dbraw/zinc/19/99/06/561199906.db2.gz XESIAOBCEKPNIX-CQSZACIVSA-N 1 1 371.441 2.409 20 5 FEBDMO CC[N@@H+](CCC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1)CC1CC1 ZINC000479992074 561200789 /nfs/dbraw/zinc/20/07/89/561200789.db2.gz MVRNZRGFRHSDDB-UHFFFAOYSA-N 1 1 363.462 2.303 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000176494114 546453353 /nfs/dbraw/zinc/45/33/53/546453353.db2.gz DDOHEFJCZHDCBH-UHFFFAOYSA-N 1 1 368.865 2.252 20 5 FEBDMO C[C@@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000480461478 561209813 /nfs/dbraw/zinc/20/98/13/561209813.db2.gz PYXTVNQDVLSXLD-LBPRGKRZSA-N 1 1 357.414 2.454 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000176674394 546475610 /nfs/dbraw/zinc/47/56/10/546475610.db2.gz ITVIGBCCLABDOK-KRWDZBQOSA-N 1 1 360.458 2.145 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177036974 546529282 /nfs/dbraw/zinc/52/92/82/546529282.db2.gz JGVCBHQSYMMFDK-TZMCWYRMSA-N 1 1 355.398 2.136 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000555788737 674376764 /nfs/dbraw/zinc/37/67/64/674376764.db2.gz WPZTYTUTQLGHRW-UHFFFAOYSA-N 1 1 356.220 2.490 20 5 FEBDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000177739118 546678479 /nfs/dbraw/zinc/67/84/79/546678479.db2.gz HGEWRRHFWOFNOM-HRCADAONSA-N 1 1 354.451 2.068 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCOCC4CC4)CC3)nc2c1 ZINC000481199135 561227687 /nfs/dbraw/zinc/22/76/87/561227687.db2.gz ORFMINHMEZHTJF-UHFFFAOYSA-N 1 1 359.430 2.410 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000481430777 561232648 /nfs/dbraw/zinc/23/26/48/561232648.db2.gz CKVRQDXGSPSORE-LLVKDONJSA-N 1 1 352.416 2.023 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000481581887 561236527 /nfs/dbraw/zinc/23/65/27/561236527.db2.gz PQAJJOHUFRHLNV-LBPRGKRZSA-N 1 1 373.413 2.381 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000481727494 561239833 /nfs/dbraw/zinc/23/98/33/561239833.db2.gz VLCKCDXLPTVAOF-UONOGXRCSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000481727494 561239834 /nfs/dbraw/zinc/23/98/34/561239834.db2.gz VLCKCDXLPTVAOF-UONOGXRCSA-N 1 1 352.387 2.146 20 5 FEBDMO COc1ccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](CO)C(C)C)cc1 ZINC000179930354 547030190 /nfs/dbraw/zinc/03/01/90/547030190.db2.gz GPNJWYALGOONKN-QGZVFWFLSA-N 1 1 362.430 2.319 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000181108426 547251632 /nfs/dbraw/zinc/25/16/32/547251632.db2.gz ILZAFRKXOGDIFF-UHFFFAOYSA-N 1 1 361.402 2.151 20 5 FEBDMO COc1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000181574573 547338586 /nfs/dbraw/zinc/33/85/86/547338586.db2.gz YKFGCBQPKLNTOJ-INIZCTEOSA-N 1 1 358.394 2.401 20 5 FEBDMO CCC[NH+]1CCC(N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181945395 547411235 /nfs/dbraw/zinc/41/12/35/547411235.db2.gz NJIULUTXVRFGTG-MRXNPFEDSA-N 1 1 351.447 2.141 20 5 FEBDMO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182339121 547475051 /nfs/dbraw/zinc/47/50/51/547475051.db2.gz GVYGBZMQNNNQQL-DZGCQCFKSA-N 1 1 350.419 2.454 20 5 FEBDMO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182339121 547475055 /nfs/dbraw/zinc/47/50/55/547475055.db2.gz GVYGBZMQNNNQQL-DZGCQCFKSA-N 1 1 350.419 2.454 20 5 FEBDMO COC[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000182409505 547488088 /nfs/dbraw/zinc/48/80/88/547488088.db2.gz SGLMPYUSAFRXKC-QGZVFWFLSA-N 1 1 364.423 2.346 20 5 FEBDMO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000182653283 547528090 /nfs/dbraw/zinc/52/80/90/547528090.db2.gz LPHNGLQSXQBVQM-SNVBAGLBSA-N 1 1 357.794 2.460 20 5 FEBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000182653283 547528095 /nfs/dbraw/zinc/52/80/95/547528095.db2.gz LPHNGLQSXQBVQM-SNVBAGLBSA-N 1 1 357.794 2.460 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000182853272 547561692 /nfs/dbraw/zinc/56/16/92/547561692.db2.gz LKWRNXKCTVVMIT-HOCLYGCPSA-N 1 1 367.471 2.464 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000182853272 547561695 /nfs/dbraw/zinc/56/16/95/547561695.db2.gz LKWRNXKCTVVMIT-HOCLYGCPSA-N 1 1 367.471 2.464 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183421831 547655005 /nfs/dbraw/zinc/65/50/05/547655005.db2.gz ZBFFERCFLABCGM-OAHLLOKOSA-N 1 1 369.487 2.321 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCOCC4(CCOCC4)C3)n2)c1 ZINC000184107895 547771647 /nfs/dbraw/zinc/77/16/47/547771647.db2.gz FPHJNBDVLYFBDR-UHFFFAOYSA-N 1 1 374.397 2.274 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCOCC4(CCOCC4)C3)n2)c1 ZINC000184107895 547771650 /nfs/dbraw/zinc/77/16/50/547771650.db2.gz FPHJNBDVLYFBDR-UHFFFAOYSA-N 1 1 374.397 2.274 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000484768815 561305587 /nfs/dbraw/zinc/30/55/87/561305587.db2.gz ZHQIFERQEVGBSX-QGZVFWFLSA-N 1 1 354.403 2.176 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000184287912 547800390 /nfs/dbraw/zinc/80/03/90/547800390.db2.gz GDZOPZOLYKBFLN-LBPRGKRZSA-N 1 1 354.838 2.004 20 5 FEBDMO C[C@@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1)[NH+]1CCOCC1 ZINC000184391173 547818322 /nfs/dbraw/zinc/81/83/22/547818322.db2.gz WNIVGKWJXUDYAX-LBPRGKRZSA-N 1 1 371.397 2.218 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](CO)CC(C)C ZINC000185372049 547976684 /nfs/dbraw/zinc/97/66/84/547976684.db2.gz RIKHGWGRUYZNQY-CQSZACIVSA-N 1 1 353.419 2.271 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CCO)CC2CCCCC2)c1 ZINC000485883013 561331072 /nfs/dbraw/zinc/33/10/72/561331072.db2.gz LSYHNPBAZHALEU-KRWDZBQOSA-N 1 1 352.431 2.209 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@@H+]1CC(C)(C)O ZINC000186860166 548207647 /nfs/dbraw/zinc/20/76/47/548207647.db2.gz TWHHAQVAMJMOFR-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1CC(C)(C)O ZINC000186860166 548207650 /nfs/dbraw/zinc/20/76/50/548207650.db2.gz TWHHAQVAMJMOFR-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO CC(C)[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@H+]1C ZINC000487957385 561379734 /nfs/dbraw/zinc/37/97/34/561379734.db2.gz XEGVIFFWPUYOAU-MRXNPFEDSA-N 1 1 362.430 2.165 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245539705 548942311 /nfs/dbraw/zinc/94/23/11/548942311.db2.gz HUVUHOBDDVFFHP-XJKSGUPXSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1F ZINC000245546822 548944659 /nfs/dbraw/zinc/94/46/59/548944659.db2.gz WTCJZBAIHSMYPP-TZMCWYRMSA-N 1 1 371.434 2.147 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000245890233 549012430 /nfs/dbraw/zinc/01/24/30/549012430.db2.gz OKEZTOVZKHTHAC-GOEBONIOSA-N 1 1 363.805 2.006 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1ccc(Cl)cc1 ZINC000245890233 549012434 /nfs/dbraw/zinc/01/24/34/549012434.db2.gz OKEZTOVZKHTHAC-GOEBONIOSA-N 1 1 363.805 2.006 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000246218181 549081719 /nfs/dbraw/zinc/08/17/19/549081719.db2.gz PTMOWNADTUXOSL-GXFFZTMASA-N 1 1 361.851 2.209 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000246229236 549084958 /nfs/dbraw/zinc/08/49/58/549084958.db2.gz FRMUDUOCDKNRQB-ZBFHGGJFSA-N 1 1 357.414 2.046 20 5 FEBDMO Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000246556550 549161152 /nfs/dbraw/zinc/16/11/52/549161152.db2.gz KSTSXWQPPVSDHV-NVXWUHKLSA-N 1 1 372.425 2.224 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000246950746 549248920 /nfs/dbraw/zinc/24/89/20/549248920.db2.gz YCLVCFCCKCSARO-IUODEOHRSA-N 1 1 362.386 2.179 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](OCCO)C1 ZINC000246950746 549248921 /nfs/dbraw/zinc/24/89/21/549248921.db2.gz YCLVCFCCKCSARO-IUODEOHRSA-N 1 1 362.386 2.179 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488983873 561401053 /nfs/dbraw/zinc/40/10/53/561401053.db2.gz PUJIPVSMJBNOBT-AWEZNQCLSA-N 1 1 364.446 2.240 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247167425 549294031 /nfs/dbraw/zinc/29/40/31/549294031.db2.gz UMQKGQJPBNHWNV-GOEBONIOSA-N 1 1 367.471 2.262 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ncnc3c2cnn3C)CC1 ZINC000489089401 561403144 /nfs/dbraw/zinc/40/31/44/561403144.db2.gz FUILWFXWBCHJCD-ZDUSSCGKSA-N 1 1 367.413 2.155 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248345199 549421045 /nfs/dbraw/zinc/42/10/45/549421045.db2.gz MMUHMOANZUSMDX-KGLIPLIRSA-N 1 1 362.430 2.101 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248433365 549435781 /nfs/dbraw/zinc/43/57/81/549435781.db2.gz XFOXNBZCJOGMFC-ZFWWWQNUSA-N 1 1 355.460 2.087 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000248750480 549495897 /nfs/dbraw/zinc/49/58/97/549495897.db2.gz UEOKFGGWHNJVHS-SUMWQHHRSA-N 1 1 365.455 2.232 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248956044 549531014 /nfs/dbraw/zinc/53/10/14/549531014.db2.gz BMXVUFRVVQSOHG-KBPBESRZSA-N 1 1 355.460 2.315 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000249125455 549557344 /nfs/dbraw/zinc/55/73/44/549557344.db2.gz CHKFJUNBZOJWPC-BBRMVZONSA-N 1 1 362.430 2.030 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000249188953 549567527 /nfs/dbraw/zinc/56/75/27/549567527.db2.gz OWCQQJWPRGSMBM-CABCVRRESA-N 1 1 369.487 2.177 20 5 FEBDMO O=C(C[N@@H+]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000255375444 549704839 /nfs/dbraw/zinc/70/48/39/549704839.db2.gz GLJUYXRZDFCTLP-YVMONPNESA-N 1 1 372.469 2.238 20 5 FEBDMO O=C(CN1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000255375444 549704840 /nfs/dbraw/zinc/70/48/40/549704840.db2.gz GLJUYXRZDFCTLP-YVMONPNESA-N 1 1 372.469 2.238 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000264153746 549985766 /nfs/dbraw/zinc/98/57/66/549985766.db2.gz ZSDFOQMKINVLRW-UHFFFAOYSA-N 1 1 366.462 2.483 20 5 FEBDMO COc1cc(CN2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491091869 561442851 /nfs/dbraw/zinc/44/28/51/561442851.db2.gz QOUZZIYCVSSGAV-LLVKDONJSA-N 1 1 359.373 2.383 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269610819 550210727 /nfs/dbraw/zinc/21/07/27/550210727.db2.gz AYLVWDVGJMQUOX-UONOGXRCSA-N 1 1 367.413 2.304 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000269610819 550210729 /nfs/dbraw/zinc/21/07/29/550210729.db2.gz AYLVWDVGJMQUOX-UONOGXRCSA-N 1 1 367.413 2.304 20 5 FEBDMO COCC1(O)CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000270336672 550262947 /nfs/dbraw/zinc/26/29/47/550262947.db2.gz CWYJYFKFAIQMFZ-GFCCVEGCSA-N 1 1 362.386 2.179 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000270592016 550287145 /nfs/dbraw/zinc/28/71/45/550287145.db2.gz TWYUMUABMNWJAZ-UHFFFAOYSA-N 1 1 365.393 2.422 20 5 FEBDMO CS[C@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1N(C)C ZINC000270637725 550291835 /nfs/dbraw/zinc/29/18/35/550291835.db2.gz IFRPFJXFYYHMTH-HOTGVXAUSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1[NH+](C)C ZINC000270637725 550291836 /nfs/dbraw/zinc/29/18/36/550291836.db2.gz IFRPFJXFYYHMTH-HOTGVXAUSA-N 1 1 366.487 2.209 20 5 FEBDMO CCOCCO[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271236952 550356379 /nfs/dbraw/zinc/35/63/79/550356379.db2.gz BDXWBPXJWDEAKM-AWEZNQCLSA-N 1 1 354.403 2.239 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271236952 550356383 /nfs/dbraw/zinc/35/63/83/550356383.db2.gz BDXWBPXJWDEAKM-AWEZNQCLSA-N 1 1 354.403 2.239 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272463560 550450443 /nfs/dbraw/zinc/45/04/43/550450443.db2.gz SERFFOWZIIIUMY-FZMZJTMJSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272463560 550450444 /nfs/dbraw/zinc/45/04/44/550450444.db2.gz SERFFOWZIIIUMY-FZMZJTMJSA-N 1 1 373.862 2.271 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1OC ZINC000272627944 550461565 /nfs/dbraw/zinc/46/15/65/550461565.db2.gz BCGSYFDWAKAYBZ-LBPRGKRZSA-N 1 1 363.414 2.382 20 5 FEBDMO COc1cc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])ccc1O ZINC000273407423 550497391 /nfs/dbraw/zinc/49/73/91/550497391.db2.gz XDWZOHDFJIBHSN-AWEZNQCLSA-N 1 1 362.382 2.181 20 5 FEBDMO CS[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274847390 550558958 /nfs/dbraw/zinc/55/89/58/550558958.db2.gz AICDPGJTOPLUIS-VXGBXAGGSA-N 1 1 367.475 2.093 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000276886884 550607118 /nfs/dbraw/zinc/60/71/18/550607118.db2.gz JOSIZGFRLQLTOE-UHFFFAOYSA-N 1 1 352.416 2.085 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277169100 550639382 /nfs/dbraw/zinc/63/93/82/550639382.db2.gz KQUUPOHYORELAD-RZFZLAGVSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277169100 550639384 /nfs/dbraw/zinc/63/93/84/550639384.db2.gz KQUUPOHYORELAD-RZFZLAGVSA-N 1 1 353.444 2.075 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000277420211 550668508 /nfs/dbraw/zinc/66/85/08/550668508.db2.gz CULHWVPVPZUIGM-CYBMUJFWSA-N 1 1 361.398 2.113 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000277445490 550671516 /nfs/dbraw/zinc/67/15/16/550671516.db2.gz HBKHWRLFMNNOSN-ZDUSSCGKSA-N 1 1 360.414 2.307 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278044297 550742454 /nfs/dbraw/zinc/74/24/54/550742454.db2.gz CHGFCDDBBXSDGU-CJNGLKHVSA-N 1 1 370.409 2.336 20 5 FEBDMO COCCO[C@@H]1C[C@H](CO)C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000278253806 550765671 /nfs/dbraw/zinc/76/56/71/550765671.db2.gz HOPNPSREEBRQGS-HLLBOEOZSA-N 1 1 352.431 2.310 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000278827873 550826488 /nfs/dbraw/zinc/82/64/88/550826488.db2.gz UQXXSTHEGJCMLO-CYBMUJFWSA-N 1 1 374.441 2.169 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000279324194 550877624 /nfs/dbraw/zinc/87/76/24/550877624.db2.gz OJIOSCMORWEKMC-SJCJKPOMSA-N 1 1 363.414 2.431 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000279854440 550936062 /nfs/dbraw/zinc/93/60/62/550936062.db2.gz PFCOWLZGQDPSMH-BMIGLBTASA-N 1 1 355.797 2.482 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281214908 551074802 /nfs/dbraw/zinc/07/48/02/551074802.db2.gz SQXJDJOMDNMDCL-MGPLVRAMSA-N 1 1 368.821 2.033 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281214908 551074804 /nfs/dbraw/zinc/07/48/04/551074804.db2.gz SQXJDJOMDNMDCL-MGPLVRAMSA-N 1 1 368.821 2.033 20 5 FEBDMO CC[C@H](C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(=O)OC ZINC000281337246 551086107 /nfs/dbraw/zinc/08/61/07/551086107.db2.gz MFKOKKHULJBZBC-LBPRGKRZSA-N 1 1 367.402 2.206 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281400535 551092450 /nfs/dbraw/zinc/09/24/50/551092450.db2.gz NMLLCYXWNKUING-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284201464 551503080 /nfs/dbraw/zinc/50/30/80/551503080.db2.gz SMSUIXXQLDDESF-CYBMUJFWSA-N 1 1 364.402 2.188 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284450329 551551708 /nfs/dbraw/zinc/55/17/08/551551708.db2.gz QWIOKKGEQWURDR-LBPRGKRZSA-N 1 1 352.410 2.414 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H]1C ZINC000498569003 561528820 /nfs/dbraw/zinc/52/88/20/561528820.db2.gz DUERDCSUDLRRDR-ZIAGYGMSSA-N 1 1 357.414 2.335 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285399446 551750140 /nfs/dbraw/zinc/75/01/40/551750140.db2.gz XRPSVNZCITZOJZ-KGLIPLIRSA-N 1 1 353.806 2.102 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285529758 551770349 /nfs/dbraw/zinc/77/03/49/551770349.db2.gz HGRXHRDGKQQZNY-UONOGXRCSA-N 1 1 355.460 2.259 20 5 FEBDMO CCCN(CC[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000286448482 551886610 /nfs/dbraw/zinc/88/66/10/551886610.db2.gz TWAWHUSNHZWMCQ-UHFFFAOYSA-N 1 1 355.460 2.311 20 5 FEBDMO CCOC(=O)c1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286515581 551895041 /nfs/dbraw/zinc/89/50/41/551895041.db2.gz ZEUWYPDMZHTTKR-DZGCQCFKSA-N 1 1 363.414 2.071 20 5 FEBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286571584 551901324 /nfs/dbraw/zinc/90/13/24/551901324.db2.gz UOFKTBODIRDBNH-ZDUSSCGKSA-N 1 1 350.375 2.384 20 5 FEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000289385212 552312477 /nfs/dbraw/zinc/31/24/77/552312477.db2.gz LSZOGTSWCYBJRC-SFHVURJKSA-N 1 1 367.446 2.345 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000289780557 552377389 /nfs/dbraw/zinc/37/73/89/552377389.db2.gz ONEVOHWITMIXGQ-UHFFFAOYSA-N 1 1 357.842 2.253 20 5 FEBDMO CN(CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC[NH+](C)C ZINC000289780557 552377391 /nfs/dbraw/zinc/37/73/91/552377391.db2.gz ONEVOHWITMIXGQ-UHFFFAOYSA-N 1 1 357.842 2.253 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000289937841 552402573 /nfs/dbraw/zinc/40/25/73/552402573.db2.gz WUQVMWRDVMJBPU-CQSZACIVSA-N 1 1 363.462 2.162 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289987508 552410336 /nfs/dbraw/zinc/41/03/36/552410336.db2.gz VNKBPGMCVFALOM-UHFFFAOYSA-N 1 1 365.814 2.102 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291611670 552643294 /nfs/dbraw/zinc/64/32/94/552643294.db2.gz CIFLGJNBEOYDJT-FQEVSTJZSA-N 1 1 369.421 2.478 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291611670 552643295 /nfs/dbraw/zinc/64/32/95/552643295.db2.gz CIFLGJNBEOYDJT-FQEVSTJZSA-N 1 1 369.421 2.478 20 5 FEBDMO CC(C)([NH2+]CC(=O)NC(=O)NCc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000292169473 552700789 /nfs/dbraw/zinc/70/07/89/552700789.db2.gz POPBMVUWKBPPFA-UHFFFAOYSA-N 1 1 360.370 2.039 20 5 FEBDMO C[C@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292313617 552715060 /nfs/dbraw/zinc/71/50/60/552715060.db2.gz OLSXUIQBGMXXAU-CYBMUJFWSA-N 1 1 367.471 2.309 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](CO)CC1 ZINC000293304454 552809745 /nfs/dbraw/zinc/80/97/45/552809745.db2.gz WPWGHBYTGDMWOX-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000293668277 552845363 /nfs/dbraw/zinc/84/53/63/552845363.db2.gz KCGYGENWZOJKHY-GFCCVEGCSA-N 1 1 362.386 2.449 20 5 FEBDMO O=C1COc2ccc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2N1 ZINC000294834853 552937601 /nfs/dbraw/zinc/93/76/01/552937601.db2.gz HKBJKEGKVCNUDY-UHFFFAOYSA-N 1 1 368.393 2.248 20 5 FEBDMO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1F ZINC000294929860 552945164 /nfs/dbraw/zinc/94/51/64/552945164.db2.gz KWHBPJMDFMCXDS-YOGCLGLASA-N 1 1 351.378 2.488 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000295098674 552958892 /nfs/dbraw/zinc/95/88/92/552958892.db2.gz XCMHISZKQMNWIE-CYBMUJFWSA-N 1 1 367.833 2.351 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])c(C)cc3Cl)[C@H]2C1 ZINC000295678125 553043383 /nfs/dbraw/zinc/04/33/83/553043383.db2.gz VGNJGQWCIWVNJK-JKSUJKDBSA-N 1 1 367.833 2.492 20 5 FEBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000295747597 553053920 /nfs/dbraw/zinc/05/39/20/553053920.db2.gz XBUQPLIISNFWGY-LSDHHAIUSA-N 1 1 355.394 2.255 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000297326013 553278562 /nfs/dbraw/zinc/27/85/62/553278562.db2.gz HKWFWDRSMFLKIT-AWEZNQCLSA-N 1 1 350.419 2.126 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297448750 553293343 /nfs/dbraw/zinc/29/33/43/553293343.db2.gz BNDLHFRHDRNYPV-ZNMIVQPWSA-N 1 1 364.446 2.406 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297448750 553293345 /nfs/dbraw/zinc/29/33/45/553293345.db2.gz BNDLHFRHDRNYPV-ZNMIVQPWSA-N 1 1 364.446 2.406 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](CO)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298368621 553417576 /nfs/dbraw/zinc/41/75/76/553417576.db2.gz CSENHFOYCIMAHA-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000504302704 561655883 /nfs/dbraw/zinc/65/58/83/561655883.db2.gz OKLBDQWPCQFKJY-HOTGVXAUSA-N 1 1 373.457 2.053 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523675 553657939 /nfs/dbraw/zinc/65/79/39/553657939.db2.gz GUFHHHZKJGIMTA-ZFWWWQNUSA-N 1 1 371.441 2.336 20 5 FEBDMO COc1cc(N2CCC[N@H+](C3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000301629515 553667233 /nfs/dbraw/zinc/66/72/33/553667233.db2.gz ICYDTEOVIHAPSV-UHFFFAOYSA-N 1 1 353.394 2.434 20 5 FEBDMO CN(C)CC[NH+]1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000301667487 553669928 /nfs/dbraw/zinc/66/99/28/553669928.db2.gz CSSZNUVAQVJZBN-UHFFFAOYSA-N 1 1 372.267 2.190 20 5 FEBDMO C[C@@H](CNc1c(Br)cncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000301897432 553689899 /nfs/dbraw/zinc/68/98/99/553689899.db2.gz RFIGNSRQFFGSNZ-JTQLQIEISA-N 1 1 359.224 2.133 20 5 FEBDMO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000302021752 553698350 /nfs/dbraw/zinc/69/83/50/553698350.db2.gz OHGKLTZROZQUJE-OAHLLOKOSA-N 1 1 356.430 2.458 20 5 FEBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976192 553762816 /nfs/dbraw/zinc/76/28/16/553762816.db2.gz FLYZUXAHQTVOSJ-ZJUUUORDSA-N 1 1 369.219 2.061 20 5 FEBDMO CCc1cc(N[C@@H](C)C[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000507117208 561718081 /nfs/dbraw/zinc/71/80/81/561718081.db2.gz UWWNFVJOTLILFA-AWEZNQCLSA-N 1 1 371.441 2.169 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@H+]1C ZINC000331148553 554222294 /nfs/dbraw/zinc/22/22/94/554222294.db2.gz OBAMFIMCBIIAIE-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000331220122 554233170 /nfs/dbraw/zinc/23/31/70/554233170.db2.gz JAIKOEAESQLGLP-AWEZNQCLSA-N 1 1 355.460 2.363 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331225014 554233682 /nfs/dbraw/zinc/23/36/82/554233682.db2.gz XHTGZHSODQSKFP-TXEJJXNPSA-N 1 1 367.450 2.059 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000331225014 554233683 /nfs/dbraw/zinc/23/36/83/554233683.db2.gz XHTGZHSODQSKFP-TXEJJXNPSA-N 1 1 367.450 2.059 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331378471 554254254 /nfs/dbraw/zinc/25/42/54/554254254.db2.gz LUSVRVANQDPWIS-HUUCEWRRSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331378471 554254256 /nfs/dbraw/zinc/25/42/56/554254256.db2.gz LUSVRVANQDPWIS-HUUCEWRRSA-N 1 1 374.441 2.256 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000331493598 554274536 /nfs/dbraw/zinc/27/45/36/554274536.db2.gz KSBDVNSHAJYEJW-LLVKDONJSA-N 1 1 354.204 2.324 20 5 FEBDMO Cn1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1C(F)(F)F ZINC000331853779 554331414 /nfs/dbraw/zinc/33/14/14/554331414.db2.gz BCSXHHRTKPQMBS-UHFFFAOYSA-N 1 1 358.324 2.381 20 5 FEBDMO Cc1[nH+]ccn1CCCNc1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000509430055 561799178 /nfs/dbraw/zinc/79/91/78/561799178.db2.gz NYKWOFVJUGWNTA-UHFFFAOYSA-N 1 1 359.430 2.434 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332246677 554409132 /nfs/dbraw/zinc/40/91/32/554409132.db2.gz ATUWWGUHSOSBHT-NEPJUHHUSA-N 1 1 359.835 2.153 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000511004479 561853776 /nfs/dbraw/zinc/85/37/76/561853776.db2.gz RCQYQBZRKQKMNE-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO Cn1c(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)ccc1[N+](=O)[O-] ZINC000349861650 554747221 /nfs/dbraw/zinc/74/72/21/554747221.db2.gz SONXSUCBKOAOJK-UHFFFAOYSA-N 1 1 369.381 2.483 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000511425429 561868882 /nfs/dbraw/zinc/86/88/82/561868882.db2.gz LYBOXVXKLCKFOQ-UKRRQHHQSA-N 1 1 357.414 2.202 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000511491547 561870833 /nfs/dbraw/zinc/87/08/33/561870833.db2.gz GOKFKUQLECLAIK-NDOICKTLSA-N 1 1 361.442 2.471 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000363042831 555017294 /nfs/dbraw/zinc/01/72/94/555017294.db2.gz QCKSTRGQMRVYMV-CQSZACIVSA-N 1 1 360.414 2.280 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000363079470 555025690 /nfs/dbraw/zinc/02/56/90/555025690.db2.gz ZUSIVBDWMJYAPC-CQSZACIVSA-N 1 1 353.444 2.070 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000364343931 555295403 /nfs/dbraw/zinc/29/54/03/555295403.db2.gz PULYLNSJLUHMLQ-AYOQOUSVSA-N 1 1 363.458 2.453 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000364893377 555428358 /nfs/dbraw/zinc/42/83/58/555428358.db2.gz RCEBWMXUHMZYJN-SFHVURJKSA-N 1 1 371.397 2.070 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@H](COC(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512839927 561917458 /nfs/dbraw/zinc/91/74/58/561917458.db2.gz LBQWYINGBBTBDF-LLVKDONJSA-N 1 1 355.341 2.045 20 5 FEBDMO O=C(C[N@H+]1CC[C@@H](COC(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512839927 561917459 /nfs/dbraw/zinc/91/74/59/561917459.db2.gz LBQWYINGBBTBDF-LLVKDONJSA-N 1 1 355.341 2.045 20 5 FEBDMO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273159 555528869 /nfs/dbraw/zinc/52/88/69/555528869.db2.gz ZEYPWGZNYBKGBZ-YOEHRIQHSA-N 1 1 355.398 2.382 20 5 FEBDMO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273159 555528872 /nfs/dbraw/zinc/52/88/72/555528872.db2.gz ZEYPWGZNYBKGBZ-YOEHRIQHSA-N 1 1 355.398 2.382 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000365542943 555604718 /nfs/dbraw/zinc/60/47/18/555604718.db2.gz ANADFKZESLUIBX-RRFJBIMHSA-N 1 1 374.397 2.368 20 5 FEBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccc(Cl)cn1 ZINC000365823894 555675769 /nfs/dbraw/zinc/67/57/69/555675769.db2.gz XFSMVEKYMIRQOA-UHFFFAOYSA-N 1 1 364.793 2.115 20 5 FEBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC[C@H]12 ZINC000366482909 555856807 /nfs/dbraw/zinc/85/68/07/555856807.db2.gz OQJWCRRHJNRSLE-LSDHHAIUSA-N 1 1 371.418 2.418 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000514317447 561965563 /nfs/dbraw/zinc/96/55/63/561965563.db2.gz PTYBQEHIFAUZPK-RDJZCZTQSA-N 1 1 374.393 2.106 20 5 FEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000367288248 556008724 /nfs/dbraw/zinc/00/87/24/556008724.db2.gz WMLDMUGPKWNPHT-GOOCMWNKSA-N 1 1 374.441 2.293 20 5 FEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000367288248 556008727 /nfs/dbraw/zinc/00/87/27/556008727.db2.gz WMLDMUGPKWNPHT-GOOCMWNKSA-N 1 1 374.441 2.293 20 5 FEBDMO CN(Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000367293284 556010037 /nfs/dbraw/zinc/01/00/37/556010037.db2.gz YPRHQCRBCGMWMS-MRXNPFEDSA-N 1 1 350.438 2.334 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000368472160 556319900 /nfs/dbraw/zinc/31/99/00/556319900.db2.gz ZBVVLVHSGOGMGA-VCBZYWHSSA-N 1 1 364.409 2.377 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000368664937 556379259 /nfs/dbraw/zinc/37/92/59/556379259.db2.gz ZKXVPXUQLQVDLE-MORSLUCNSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000368664937 556379260 /nfs/dbraw/zinc/37/92/60/556379260.db2.gz ZKXVPXUQLQVDLE-MORSLUCNSA-N 1 1 374.441 2.397 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000369018198 556478072 /nfs/dbraw/zinc/47/80/72/556478072.db2.gz RRQSSOKARVFHCY-NVXWUHKLSA-N 1 1 355.398 2.234 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000369018198 556478073 /nfs/dbraw/zinc/47/80/73/556478073.db2.gz RRQSSOKARVFHCY-NVXWUHKLSA-N 1 1 355.398 2.234 20 5 FEBDMO CCCN1CC[NH+](C2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000369156732 556520246 /nfs/dbraw/zinc/52/02/46/556520246.db2.gz PQUZUFKCPCPCRV-UHFFFAOYSA-N 1 1 366.487 2.289 20 5 FEBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229927 556542609 /nfs/dbraw/zinc/54/26/09/556542609.db2.gz UJCRFVJGPITGHD-AEFFLSMTSA-N 1 1 360.414 2.295 20 5 FEBDMO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@](=O)C1 ZINC000369367091 556581645 /nfs/dbraw/zinc/58/16/45/556581645.db2.gz VZSBKPOPIBTIQR-SHZVTRLKSA-N 1 1 363.439 2.493 20 5 FEBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@](=O)C1 ZINC000369367091 556581647 /nfs/dbraw/zinc/58/16/47/556581647.db2.gz VZSBKPOPIBTIQR-SHZVTRLKSA-N 1 1 363.439 2.493 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 ZINC000369495698 556611497 /nfs/dbraw/zinc/61/14/97/556611497.db2.gz DIBIMEJGKSKPGF-HNNXBMFYSA-N 1 1 366.849 2.100 20 5 FEBDMO Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000369784329 556693807 /nfs/dbraw/zinc/69/38/07/556693807.db2.gz NCLQQURGYSDADU-MRXNPFEDSA-N 1 1 373.413 2.334 20 5 FEBDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000369784329 556693811 /nfs/dbraw/zinc/69/38/11/556693811.db2.gz NCLQQURGYSDADU-MRXNPFEDSA-N 1 1 373.413 2.334 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000369998010 556753235 /nfs/dbraw/zinc/75/32/35/556753235.db2.gz QINOSOBEODCIMF-HNNXBMFYSA-N 1 1 371.441 2.223 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370013530 556757624 /nfs/dbraw/zinc/75/76/24/556757624.db2.gz WXAGRAZIQSYLIH-UONOGXRCSA-N 1 1 357.414 2.220 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370013530 556757627 /nfs/dbraw/zinc/75/76/27/556757627.db2.gz WXAGRAZIQSYLIH-UONOGXRCSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1ccn(C2CC[NH+](CC(=O)N3CCc4cc([N+](=O)[O-])ccc43)CC2)n1 ZINC000370033129 556762452 /nfs/dbraw/zinc/76/24/52/556762452.db2.gz YAHZDHJXOLNXSI-UHFFFAOYSA-N 1 1 369.425 2.326 20 5 FEBDMO Cc1[nH+]c2c(n1CC(=O)Nc1cc3c(cc1[N+](=O)[O-])OCO3)CCCC2 ZINC000516785749 562058054 /nfs/dbraw/zinc/05/80/54/562058054.db2.gz UYICYGUETSZJHJ-UHFFFAOYSA-N 1 1 358.354 2.346 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000516895121 562063176 /nfs/dbraw/zinc/06/31/76/562063176.db2.gz INGIBAVQVCZMGH-KGLIPLIRSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1sc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830756 556982846 /nfs/dbraw/zinc/98/28/46/556982846.db2.gz OZVCQDKXZKRGPB-AWEZNQCLSA-N 1 1 366.487 2.205 20 5 FEBDMO Cc1sc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000370830756 556982848 /nfs/dbraw/zinc/98/28/48/556982848.db2.gz OZVCQDKXZKRGPB-AWEZNQCLSA-N 1 1 366.487 2.205 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000370992077 557039006 /nfs/dbraw/zinc/03/90/06/557039006.db2.gz MOYFJYFGDYXCQZ-ZIAGYGMSSA-N 1 1 363.414 2.290 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000517061697 562074075 /nfs/dbraw/zinc/07/40/75/562074075.db2.gz DJPYYRZQQCHGPZ-ZDUSSCGKSA-N 1 1 374.445 2.334 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000371066046 557064536 /nfs/dbraw/zinc/06/45/36/557064536.db2.gz YTWCLVHRNCDDQS-DOTOQJQBSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000371066046 557064538 /nfs/dbraw/zinc/06/45/38/557064538.db2.gz YTWCLVHRNCDDQS-DOTOQJQBSA-N 1 1 358.373 2.491 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000371283855 557131261 /nfs/dbraw/zinc/13/12/61/557131261.db2.gz MKARQVDJGBVHJM-KRWDZBQOSA-N 1 1 356.426 2.357 20 5 FEBDMO CCC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000371551374 557219532 /nfs/dbraw/zinc/21/95/32/557219532.db2.gz FKGTYRNPRQOOMB-UHFFFAOYSA-N 1 1 368.821 2.131 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000371581527 557229074 /nfs/dbraw/zinc/22/90/74/557229074.db2.gz RHUMYOAZEHZICY-RHSMWYFYSA-N 1 1 352.398 2.288 20 5 FEBDMO C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000371784758 557292330 /nfs/dbraw/zinc/29/23/30/557292330.db2.gz VBELZKPCNYBEQG-AEGPPILISA-N 1 1 365.405 2.207 20 5 FEBDMO C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000371784758 557292333 /nfs/dbraw/zinc/29/23/33/557292333.db2.gz VBELZKPCNYBEQG-AEGPPILISA-N 1 1 365.405 2.207 20 5 FEBDMO CC(C)OC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372128842 557387168 /nfs/dbraw/zinc/38/71/68/557387168.db2.gz PVPAHTBZECEDIX-INIZCTEOSA-N 1 1 351.403 2.049 20 5 FEBDMO CC(C)OC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000372128842 557387170 /nfs/dbraw/zinc/38/71/70/557387170.db2.gz PVPAHTBZECEDIX-INIZCTEOSA-N 1 1 351.403 2.049 20 5 FEBDMO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@H+]1CCc2ccccc2C1 ZINC000519136349 562125623 /nfs/dbraw/zinc/12/56/23/562125623.db2.gz BYRKZUMKVHPSKX-GFCCVEGCSA-N 1 1 372.400 2.493 20 5 FEBDMO Cc1c(NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000372460457 557476714 /nfs/dbraw/zinc/47/67/14/557476714.db2.gz QHIHZKNTNUYKON-UHFFFAOYSA-N 1 1 350.419 2.214 20 5 FEBDMO C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000373400639 557687165 /nfs/dbraw/zinc/68/71/65/557687165.db2.gz YUPJNEKGVCOFOR-PBHICJAKSA-N 1 1 357.414 2.111 20 5 FEBDMO C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)c1ncc([N+](=O)[O-])cn1 ZINC000373400639 557687168 /nfs/dbraw/zinc/68/71/68/557687168.db2.gz YUPJNEKGVCOFOR-PBHICJAKSA-N 1 1 357.414 2.111 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000373933679 557790406 /nfs/dbraw/zinc/79/04/06/557790406.db2.gz NFDXSMHTPWSFHT-CRAIPNDOSA-N 1 1 373.457 2.053 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Br)C1 ZINC000374355543 557870815 /nfs/dbraw/zinc/87/08/15/557870815.db2.gz YURAENOSNXZDKR-VIFPVBQESA-N 1 1 352.192 2.480 20 5 FEBDMO CCc1n[nH]c(C(=O)N2CC[NH2+][C@@H](c3ccc(CC)cc3)C2)c1[N+](=O)[O-] ZINC000374361215 557871631 /nfs/dbraw/zinc/87/16/31/557871631.db2.gz VYVGNRCBUYINJD-OAHLLOKOSA-N 1 1 357.414 2.229 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374635070 557909782 /nfs/dbraw/zinc/90/97/82/557909782.db2.gz GBUIHBGYESOIQV-CYBMUJFWSA-N 1 1 361.402 2.432 20 5 FEBDMO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374884407 557945913 /nfs/dbraw/zinc/94/59/13/557945913.db2.gz VFOWLQBCTZBJPA-ZBFHGGJFSA-N 1 1 366.425 2.960 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]21 ZINC000375062041 557972169 /nfs/dbraw/zinc/97/21/69/557972169.db2.gz RVZFWQPKNNNBOI-DNVCBOLYSA-N 1 1 372.469 2.364 20 5 FEBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000376201827 558140096 /nfs/dbraw/zinc/14/00/96/558140096.db2.gz XUMVWIPVHXQTRS-AAEUAGOBSA-N 1 1 357.357 2.496 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H](CO)C1 ZINC000376502673 558181938 /nfs/dbraw/zinc/18/19/38/558181938.db2.gz XWANKDOVDDPSTD-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000377149215 558276523 /nfs/dbraw/zinc/27/65/23/558276523.db2.gz KMYOJVLHWIRRDU-KRWDZBQOSA-N 1 1 360.458 2.404 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000377236931 558295853 /nfs/dbraw/zinc/29/58/53/558295853.db2.gz GVNFYMCAYGQEPZ-ZSOGYDGISA-N 1 1 365.434 2.311 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000522136828 562192170 /nfs/dbraw/zinc/19/21/70/562192170.db2.gz UFVVPVAMSTUSFZ-CYBMUJFWSA-N 1 1 351.451 2.117 20 5 FEBDMO COc1ccc([C@@H]2[C@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000378306848 558525340 /nfs/dbraw/zinc/52/53/40/558525340.db2.gz AGFQXKIVIJOOPJ-SUMWQHHRSA-N 1 1 373.413 2.139 20 5 FEBDMO COc1ccc([C@@H]2[C@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000378306848 558525341 /nfs/dbraw/zinc/52/53/41/558525341.db2.gz AGFQXKIVIJOOPJ-SUMWQHHRSA-N 1 1 373.413 2.139 20 5 FEBDMO COc1ccc([C@@H]2[C@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000378306848 558525343 /nfs/dbraw/zinc/52/53/43/558525343.db2.gz AGFQXKIVIJOOPJ-SUMWQHHRSA-N 1 1 373.413 2.139 20 5 FEBDMO O=C(C[NH+]1CCC([C@H]2CCOC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000378643616 558599694 /nfs/dbraw/zinc/59/96/94/558599694.db2.gz AWQXTIIENNORJN-INIZCTEOSA-N 1 1 359.426 2.232 20 5 FEBDMO CNS(=O)(=O)c1ccc(Nc2ccc3[nH+]c(C)cn3c2)c([N+](=O)[O-])c1 ZINC000524857170 562236122 /nfs/dbraw/zinc/23/61/22/562236122.db2.gz WPYDOEWMJIHMJX-UHFFFAOYSA-N 1 1 361.383 2.203 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000411046601 558835329 /nfs/dbraw/zinc/83/53/29/558835329.db2.gz BZXQKHJPHXHHBW-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000411046601 558835330 /nfs/dbraw/zinc/83/53/30/558835330.db2.gz BZXQKHJPHXHHBW-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO C[C@H]1CC[N@@H+](CCNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000525291462 562245211 /nfs/dbraw/zinc/24/52/11/562245211.db2.gz HXOPUIKUYZGTNP-HNNXBMFYSA-N 1 1 360.458 2.269 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000411267449 558864601 /nfs/dbraw/zinc/86/46/01/558864601.db2.gz DFQRCKSRKJEZAW-HNNXBMFYSA-N 1 1 374.441 2.032 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000411626474 558931548 /nfs/dbraw/zinc/93/15/48/558931548.db2.gz WTMYHNAUXKJHMH-WOSRLPQWSA-N 1 1 365.430 2.413 20 5 FEBDMO COC(=O)c1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000411652659 558936551 /nfs/dbraw/zinc/93/65/51/558936551.db2.gz DQNGQXYZGHXKPF-UHFFFAOYSA-N 1 1 350.400 2.477 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000411833178 558972690 /nfs/dbraw/zinc/97/26/90/558972690.db2.gz HKQFTNIASIYSBO-ZDUSSCGKSA-N 1 1 353.444 2.156 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000411935548 558991217 /nfs/dbraw/zinc/99/12/17/558991217.db2.gz DPQWXRRWDGPUGE-CQSZACIVSA-N 1 1 358.398 2.202 20 5 FEBDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000412059556 559008100 /nfs/dbraw/zinc/00/81/00/559008100.db2.gz XLWFSKYFPBHGIX-CYBMUJFWSA-N 1 1 357.414 2.448 20 5 FEBDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000412059556 559008101 /nfs/dbraw/zinc/00/81/01/559008101.db2.gz XLWFSKYFPBHGIX-CYBMUJFWSA-N 1 1 357.414 2.448 20 5 FEBDMO CC(C)Oc1cc(C(=O)NCC[NH+]2CCSCC2)ccc1[N+](=O)[O-] ZINC000412115342 559015180 /nfs/dbraw/zinc/01/51/80/559015180.db2.gz ZWMGYSXIUZYYNI-UHFFFAOYSA-N 1 1 353.444 2.161 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1F ZINC000412407677 559033517 /nfs/dbraw/zinc/03/35/17/559033517.db2.gz FKNYTQDBCPEJBU-GFCCVEGCSA-N 1 1 353.394 2.226 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1F ZINC000413168190 559085023 /nfs/dbraw/zinc/08/50/23/559085023.db2.gz MKRSYNWIPPDPNT-JSGCOSHPSA-N 1 1 351.378 2.028 20 5 FEBDMO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(N2CCCS2(=O)=O)CC1 ZINC000414470822 559166925 /nfs/dbraw/zinc/16/69/25/559166925.db2.gz NFXGEGJMRASDEH-UTCJRWHESA-N 1 1 365.455 2.108 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416421561 559311882 /nfs/dbraw/zinc/31/18/82/559311882.db2.gz DHNVQINQFXDBJM-STQMWFEESA-N 1 1 353.444 2.115 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000416559859 559321744 /nfs/dbraw/zinc/32/17/44/559321744.db2.gz KTSUWKFPWADAFW-ZDUSSCGKSA-N 1 1 355.460 2.167 20 5 FEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000417726657 559374193 /nfs/dbraw/zinc/37/41/93/559374193.db2.gz MYBMOZHMFFWDNC-QGZVFWFLSA-N 1 1 352.410 2.261 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000420480498 559489808 /nfs/dbraw/zinc/48/98/08/559489808.db2.gz OUTUJCXIRCLRCH-KRWDZBQOSA-N 1 1 361.423 2.071 20 5 FEBDMO Cc1cc(N2CCC(Nc3c(C(N)=O)cccc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000420604291 559493631 /nfs/dbraw/zinc/49/36/31/559493631.db2.gz RSGLWNWCYIRXOH-UHFFFAOYSA-N 1 1 370.413 2.181 20 5 FEBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000423958113 559647951 /nfs/dbraw/zinc/64/79/51/559647951.db2.gz VYJZTHSLOZXKQI-UHFFFAOYSA-N 1 1 366.849 2.194 20 5 FEBDMO CCOc1ccc(NC(=O)CN2CC[N@@H+](C)C[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425473757 559704211 /nfs/dbraw/zinc/70/42/11/559704211.db2.gz ISSQZUMBCAYZNC-QGZVFWFLSA-N 1 1 364.446 2.204 20 5 FEBDMO C[C@@H]1CCCN(c2ccc(C(=O)NCC(F)(F)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000427164546 559749684 /nfs/dbraw/zinc/74/96/84/559749684.db2.gz WTYHOPVLTBDMPQ-LLVKDONJSA-N 1 1 356.373 2.155 20 5 FEBDMO O=[N+]([O-])c1ccc(CC[NH+]2CCC3(CC2)CCS(=O)(=O)CC3)cc1 ZINC000428697965 559781415 /nfs/dbraw/zinc/78/14/15/559781415.db2.gz BZONSDVVLZFZJN-UHFFFAOYSA-N 1 1 352.456 2.428 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000428862252 559785191 /nfs/dbraw/zinc/78/51/91/559785191.db2.gz TUVNGAQYNPMYBD-SCLBCKFNSA-N 1 1 370.409 2.089 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433940169 559890817 /nfs/dbraw/zinc/89/08/17/559890817.db2.gz JEUOXSJJSXUODV-KRWDZBQOSA-N 1 1 361.446 2.323 20 5 FEBDMO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000434028532 559892753 /nfs/dbraw/zinc/89/27/53/559892753.db2.gz UWNFMJGPGHIECD-ZDUSSCGKSA-N 1 1 367.450 2.014 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+](CCO)[C@@H]3CCCSC3)n2)c1 ZINC000439001419 559986979 /nfs/dbraw/zinc/98/69/79/559986979.db2.gz XWSUQYVWZVBGCM-CQSZACIVSA-N 1 1 364.427 2.335 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+](CCO)[C@@H]3CCCSC3)n2)c1 ZINC000439001419 559986980 /nfs/dbraw/zinc/98/69/80/559986980.db2.gz XWSUQYVWZVBGCM-CQSZACIVSA-N 1 1 364.427 2.335 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441229174 560026685 /nfs/dbraw/zinc/02/66/85/560026685.db2.gz OIVIPDFREYOVGM-HZPDHXFCSA-N 1 1 359.426 2.232 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000443328634 560080385 /nfs/dbraw/zinc/08/03/85/560080385.db2.gz QNCYITVQHLTZBF-ZOWXZIJZSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000443328634 560080386 /nfs/dbraw/zinc/08/03/86/560080386.db2.gz QNCYITVQHLTZBF-ZOWXZIJZSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447939364 560173938 /nfs/dbraw/zinc/17/39/38/560173938.db2.gz KBDJTVGWWNDTBH-HNNXBMFYSA-N 1 1 371.459 2.002 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448725663 560196785 /nfs/dbraw/zinc/19/67/85/560196785.db2.gz PORBUDDADREOKL-UKRRQHHQSA-N 1 1 355.398 2.342 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000448925307 560207025 /nfs/dbraw/zinc/20/70/25/560207025.db2.gz NKSVHOZBHIYGCG-LLVKDONJSA-N 1 1 351.378 2.489 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000449452255 560230784 /nfs/dbraw/zinc/23/07/84/560230784.db2.gz KJVPRGPYKHTWMN-QGZVFWFLSA-N 1 1 374.393 2.312 20 5 FEBDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492291 560231976 /nfs/dbraw/zinc/23/19/76/560231976.db2.gz BRCFATAJAAWSPI-CZUORRHYSA-N 1 1 366.414 2.394 20 5 FEBDMO CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000450747912 560272005 /nfs/dbraw/zinc/27/20/05/560272005.db2.gz RDDYIBLRFRPMGN-KRWDZBQOSA-N 1 1 360.458 2.365 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000451032346 560283820 /nfs/dbraw/zinc/28/38/20/560283820.db2.gz PHKJRCWLCDQZOR-SFHVURJKSA-N 1 1 359.382 2.045 20 5 FEBDMO C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+](C2CC2)C1 ZINC000451093178 560286576 /nfs/dbraw/zinc/28/65/76/560286576.db2.gz NFQXIBXNBKUBRZ-RDTXWAMCSA-N 1 1 358.442 2.116 20 5 FEBDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451142690 560289430 /nfs/dbraw/zinc/28/94/30/560289430.db2.gz GMYBTTQMZZLXLE-SBFPOUOMSA-N 1 1 350.341 2.204 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@H](O)C[C@H]3[C@H]3CCCOC3)n2)cc1 ZINC000451302253 560299056 /nfs/dbraw/zinc/29/90/56/560299056.db2.gz KDCQGLVUXZLNTC-IMJJTQAJSA-N 1 1 374.397 2.007 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451418400 560305676 /nfs/dbraw/zinc/30/56/76/560305676.db2.gz MREYVOWRINWJGW-FVQBIDKESA-N 1 1 363.414 2.167 20 5 FEBDMO CCCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545206 560313506 /nfs/dbraw/zinc/31/35/06/560313506.db2.gz HAKYANAKMUHQAQ-OAHLLOKOSA-N 1 1 362.430 2.400 20 5 FEBDMO CCCCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545206 560313507 /nfs/dbraw/zinc/31/35/07/560313507.db2.gz HAKYANAKMUHQAQ-OAHLLOKOSA-N 1 1 362.430 2.400 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571840 560315374 /nfs/dbraw/zinc/31/53/74/560315374.db2.gz QFSXCHYUAOTZNV-MLGOLLRUSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571840 560315375 /nfs/dbraw/zinc/31/53/75/560315375.db2.gz QFSXCHYUAOTZNV-MLGOLLRUSA-N 1 1 351.403 2.289 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878519 560333956 /nfs/dbraw/zinc/33/39/56/560333956.db2.gz NERCRWUGTPCBRU-PBHICJAKSA-N 1 1 370.413 2.256 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCC[C@H]2c2nc3ccccc3[nH]2)c1 ZINC000451878519 560333957 /nfs/dbraw/zinc/33/39/57/560333957.db2.gz NERCRWUGTPCBRU-PBHICJAKSA-N 1 1 370.413 2.256 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000451976473 560341691 /nfs/dbraw/zinc/34/16/91/560341691.db2.gz YFRNGYGSCMQOLU-XJKSGUPXSA-N 1 1 352.341 2.268 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000452095057 560350897 /nfs/dbraw/zinc/35/08/97/560350897.db2.gz KMUHZOPIXNMNDR-CQSZACIVSA-N 1 1 355.460 2.315 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452356744 560360071 /nfs/dbraw/zinc/36/00/71/560360071.db2.gz DERAJSOHLYRKNF-CQSZACIVSA-N 1 1 367.471 2.283 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454528524 560448400 /nfs/dbraw/zinc/44/84/00/560448400.db2.gz OZCIBMTWPBMYLK-BBRMVZONSA-N 1 1 350.419 2.066 20 5 FEBDMO CNc1nc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455672506 560491216 /nfs/dbraw/zinc/49/12/16/560491216.db2.gz NFIASLZTGIJIMS-HNNXBMFYSA-N 1 1 369.425 2.426 20 5 FEBDMO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517296 560629279 /nfs/dbraw/zinc/62/92/79/560629279.db2.gz SHKGYZUZNUCLIV-DLBZAZTESA-N 1 1 364.446 2.192 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457473 560772175 /nfs/dbraw/zinc/77/21/75/560772175.db2.gz TZHHNAZGOFPYST-HZPDHXFCSA-N 1 1 369.425 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457473 560772176 /nfs/dbraw/zinc/77/21/76/560772176.db2.gz TZHHNAZGOFPYST-HZPDHXFCSA-N 1 1 369.425 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000461457473 560772177 /nfs/dbraw/zinc/77/21/77/560772177.db2.gz TZHHNAZGOFPYST-HZPDHXFCSA-N 1 1 369.425 2.220 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCO1 ZINC000470063884 560973205 /nfs/dbraw/zinc/97/32/05/560973205.db2.gz AQEBAJFWKMJMNL-GFCCVEGCSA-N 1 1 355.822 2.479 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000470673093 560987071 /nfs/dbraw/zinc/98/70/71/560987071.db2.gz FGAVOXJQULAHNT-OAHLLOKOSA-N 1 1 357.414 2.383 20 5 FEBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ncc[nH]1 ZINC000471073304 560997595 /nfs/dbraw/zinc/99/75/95/560997595.db2.gz VZYHSJZWLZEEPJ-INIZCTEOSA-N 1 1 372.429 2.025 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000473296033 561046921 /nfs/dbraw/zinc/04/69/21/561046921.db2.gz BEEUNJGLEICUNI-OAHLLOKOSA-N 1 1 374.441 2.032 20 5 FEBDMO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000475014647 561087716 /nfs/dbraw/zinc/08/77/16/561087716.db2.gz HMZXAZKRFIXDCL-UHFFFAOYSA-N 1 1 354.370 2.061 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000475713848 561102944 /nfs/dbraw/zinc/10/29/44/561102944.db2.gz FSEJUDVGHHDGIH-UONOGXRCSA-N 1 1 365.430 2.061 20 5 FEBDMO COc1ccc(CC(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000531977363 562463028 /nfs/dbraw/zinc/46/30/28/562463028.db2.gz JIDOZJKBWSWUEA-UHFFFAOYSA-N 1 1 370.409 2.198 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000533447333 562509104 /nfs/dbraw/zinc/50/91/04/562509104.db2.gz JSCSWVLUYUHFAY-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH+](C)CC1 ZINC000534251858 562528641 /nfs/dbraw/zinc/52/86/41/562528641.db2.gz VFUIPGXBXGHXPJ-QGZVFWFLSA-N 1 1 373.457 2.078 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534980995 562546742 /nfs/dbraw/zinc/54/67/42/562546742.db2.gz RUPANZDHGIQEIM-CYBMUJFWSA-N 1 1 360.414 2.163 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000535740745 562566155 /nfs/dbraw/zinc/56/61/55/562566155.db2.gz YBCKUMPMRBMVON-ZIAGYGMSSA-N 1 1 350.419 2.098 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000541113316 562603445 /nfs/dbraw/zinc/60/34/45/562603445.db2.gz QYWIMYKBUCGVJM-INIZCTEOSA-N 1 1 351.403 2.150 20 5 FEBDMO CC(=O)NC1CCC([N@@H+](C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000541317055 562608973 /nfs/dbraw/zinc/60/89/73/562608973.db2.gz WBROJULKDLCXKS-UHFFFAOYSA-N 1 1 362.430 2.221 20 5 FEBDMO COC(=O)c1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000568823097 568229824 /nfs/dbraw/zinc/22/98/24/568229824.db2.gz CKUPEBQKLMYDRH-GFCCVEGCSA-N 1 1 364.402 2.153 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000569614885 568410186 /nfs/dbraw/zinc/41/01/86/568410186.db2.gz UDZVSJYTEFTQJW-AWEZNQCLSA-N 1 1 351.403 2.150 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126976 599496779 /nfs/dbraw/zinc/49/67/79/599496779.db2.gz GJLPUCNECZDIJU-LLVKDONJSA-N 1 1 368.401 2.218 20 5 FEBDMO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCc3c(cccc3[N+](=O)[O-])C2)[nH+]1 ZINC000826262053 607937516 /nfs/dbraw/zinc/93/75/16/607937516.db2.gz COVPREGJJHJVKC-UHFFFAOYSA-N 1 1 351.370 2.349 20 5 FEBDMO C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000824564545 608563829 /nfs/dbraw/zinc/56/38/29/608563829.db2.gz VNEQKIXTMXYXGI-LLVKDONJSA-N 1 1 367.369 2.064 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@H](C)C[N@@H+](C)C(C)C ZINC000811859091 674633985 /nfs/dbraw/zinc/63/39/85/674633985.db2.gz MMKYBZJJXOHIJB-SNVBAGLBSA-N 1 1 354.363 2.430 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000812393547 674672342 /nfs/dbraw/zinc/67/23/42/674672342.db2.gz FDYUTSFTVKHWQS-JTQLQIEISA-N 1 1 351.432 2.450 20 5 FEBDMO CC[C@H](C)[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000561947913 674709765 /nfs/dbraw/zinc/70/97/65/674709765.db2.gz JFMKBUWHRRLEHQ-JTQLQIEISA-N 1 1 374.235 2.389 20 5 FEBDMO C[C@H](CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000564873493 675070845 /nfs/dbraw/zinc/07/08/45/675070845.db2.gz OZPIQRXHWTZCTQ-NVXWUHKLSA-N 1 1 351.447 2.189 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000092993558 670747004 /nfs/dbraw/zinc/74/70/04/670747004.db2.gz YMYZQIAZQFOJAM-GFCCVEGCSA-N 1 1 359.423 2.005 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108403787 670829366 /nfs/dbraw/zinc/82/93/66/670829366.db2.gz NHLJTAMMQYLNPQ-LBPRGKRZSA-N 1 1 359.835 2.011 20 5 FEBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[N@H+]1C ZINC000572014624 670951694 /nfs/dbraw/zinc/95/16/94/670951694.db2.gz CVXYXIRIYZXYJY-STQMWFEESA-N 1 1 352.410 2.465 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000573640634 671146457 /nfs/dbraw/zinc/14/64/57/671146457.db2.gz GARFZWSEYAOOSQ-MAUKXSAKSA-N 1 1 350.415 2.227 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000573640636 671146662 /nfs/dbraw/zinc/14/66/62/671146662.db2.gz GARFZWSEYAOOSQ-YJBOKZPZSA-N 1 1 350.415 2.227 20 5 FEBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000818003003 675189859 /nfs/dbraw/zinc/18/98/59/675189859.db2.gz LWAJPFSFLDZDPR-UHFFFAOYSA-N 1 1 366.849 2.194 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000609848338 675939118 /nfs/dbraw/zinc/93/91/18/675939118.db2.gz BOWRMHJMBPWCSI-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000583481763 672098845 /nfs/dbraw/zinc/09/88/45/672098845.db2.gz DSPCBWMEDJCEJH-AGUYFDCRSA-N 1 1 353.444 2.115 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000585800621 672236294 /nfs/dbraw/zinc/23/62/94/672236294.db2.gz CCYFYHFWSUCYMB-RCCFBDPRSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000585800621 672236296 /nfs/dbraw/zinc/23/62/96/672236296.db2.gz CCYFYHFWSUCYMB-RCCFBDPRSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000611171170 676022581 /nfs/dbraw/zinc/02/25/81/676022581.db2.gz GHHGKFZRBAMZNG-CQSZACIVSA-N 1 1 368.455 2.263 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000589930765 672548826 /nfs/dbraw/zinc/54/88/26/672548826.db2.gz ICNCPVGPKKAYBL-CYBMUJFWSA-N 1 1 367.471 2.398 20 5 FEBDMO COc1cc(CN2CC[C@@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590012809 672554694 /nfs/dbraw/zinc/55/46/94/672554694.db2.gz YURUNEINACZSCT-ZWNOBZJWSA-N 1 1 357.357 2.341 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000590165285 672562525 /nfs/dbraw/zinc/56/25/25/672562525.db2.gz DDWQETNMRCJTFH-QGZVFWFLSA-N 1 1 367.471 2.264 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[NH+]2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000590590808 672593691 /nfs/dbraw/zinc/59/36/91/672593691.db2.gz BZLUZUGJIRWOAG-UHFFFAOYSA-N 1 1 359.423 2.053 20 5 FEBDMO C[C@@H]1CC2(C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182504 672768123 /nfs/dbraw/zinc/76/81/23/672768123.db2.gz BQRHDPVYGGMUNW-CABCVRRESA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@@H+]1CCc2sccc2C1 ZINC000195172919 672778056 /nfs/dbraw/zinc/77/80/56/672778056.db2.gz OLNOCQIRYBFOSA-LLVKDONJSA-N 1 1 360.439 2.415 20 5 FEBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+]1CCc2sccc2C1 ZINC000195172919 672778059 /nfs/dbraw/zinc/77/80/59/672778059.db2.gz OLNOCQIRYBFOSA-LLVKDONJSA-N 1 1 360.439 2.415 20 5 FEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COC[C@H]1CCCO1 ZINC000249351296 672869843 /nfs/dbraw/zinc/86/98/43/672869843.db2.gz WPAJLDIIURZWLG-HUUCEWRRSA-N 1 1 358.822 2.237 20 5 FEBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)COC[C@H]1CCCO1 ZINC000249351296 672869844 /nfs/dbraw/zinc/86/98/44/672869844.db2.gz WPAJLDIIURZWLG-HUUCEWRRSA-N 1 1 358.822 2.237 20 5 FEBDMO C[C@@H](CCO)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000593107703 672877613 /nfs/dbraw/zinc/87/76/13/672877613.db2.gz MUWLBZJDULWUDH-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO C[C@@H](CCO)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000593107703 672877619 /nfs/dbraw/zinc/87/76/19/672877619.db2.gz MUWLBZJDULWUDH-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCCC[C@H]1CO ZINC000594016878 673021457 /nfs/dbraw/zinc/02/14/57/673021457.db2.gz LZXMTSCTMFPPPT-AWEZNQCLSA-N 1 1 351.403 2.169 20 5 FEBDMO CS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594603881 673105449 /nfs/dbraw/zinc/10/54/49/673105449.db2.gz WHHQFMMDBAZFHW-ZFWWWQNUSA-N 1 1 353.444 2.427 20 5 FEBDMO CS(=O)(=O)c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])c1 ZINC000594603881 673105452 /nfs/dbraw/zinc/10/54/52/673105452.db2.gz WHHQFMMDBAZFHW-ZFWWWQNUSA-N 1 1 353.444 2.427 20 5 FEBDMO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CC[N@@H+](CC)C1 ZINC000596181022 673365654 /nfs/dbraw/zinc/36/56/54/673365654.db2.gz VPWCHHUCUZHZDU-OAHLLOKOSA-N 1 1 350.419 2.229 20 5 FEBDMO O=[N+]([O-])c1cncc(Cl)c1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000596189520 673366381 /nfs/dbraw/zinc/36/63/81/673366381.db2.gz JDSKLBGJXTVOBQ-CQSZACIVSA-N 1 1 362.817 2.244 20 5 FEBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810839 673384155 /nfs/dbraw/zinc/38/41/55/673384155.db2.gz PCZFVVSBKCRBCT-CYBMUJFWSA-N 1 1 361.320 2.069 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000732810839 673384160 /nfs/dbraw/zinc/38/41/60/673384160.db2.gz PCZFVVSBKCRBCT-CYBMUJFWSA-N 1 1 361.320 2.069 20 5 FEBDMO NS(=O)(=O)c1ccc(N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000596479623 673388767 /nfs/dbraw/zinc/38/87/67/673388767.db2.gz OBVKNPAUTWBKQC-ZDUSSCGKSA-N 1 1 368.459 2.061 20 5 FEBDMO Nc1c(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc(Cl)cc1[N+](=O)[O-] ZINC000597091758 673446136 /nfs/dbraw/zinc/44/61/36/673446136.db2.gz CUBILPXOJBCOOG-NSHDSACASA-N 1 1 353.810 2.436 20 5 FEBDMO C[C@@]1(c2ccc(C[NH2+]Cc3csc([N+](=O)[O-])c3)cc2)NC(=O)NC1=O ZINC000539497817 673493011 /nfs/dbraw/zinc/49/30/11/673493011.db2.gz YSOXOWHVUQDZAC-INIZCTEOSA-N 1 1 360.395 2.001 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c1C ZINC000599412449 673671947 /nfs/dbraw/zinc/67/19/47/673671947.db2.gz ITBPWMZDUWJVIG-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599464534 673678546 /nfs/dbraw/zinc/67/85/46/673678546.db2.gz NKGFCAOSKNSGLQ-HNNXBMFYSA-N 1 1 353.444 2.031 20 5 FEBDMO Cc1c(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000744801187 673811843 /nfs/dbraw/zinc/81/18/43/673811843.db2.gz MVUJOTOXPLUBNX-SNVBAGLBSA-N 1 1 350.375 2.191 20 5 FEBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000745088916 673825208 /nfs/dbraw/zinc/82/52/08/673825208.db2.gz YQAKEERGUCAAOX-CQSZACIVSA-N 1 1 352.387 2.400 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000745088916 673825211 /nfs/dbraw/zinc/82/52/11/673825211.db2.gz YQAKEERGUCAAOX-CQSZACIVSA-N 1 1 352.387 2.400 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCCO1 ZINC000601155912 673829556 /nfs/dbraw/zinc/82/95/56/673829556.db2.gz OIKPZWSVTWRCDT-SNVBAGLBSA-N 1 1 365.356 2.260 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000601372046 673850157 /nfs/dbraw/zinc/85/01/57/673850157.db2.gz QMEMYIPOGBKCOP-OCCSQVGLSA-N 1 1 371.434 2.147 20 5 FEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000601440753 673862676 /nfs/dbraw/zinc/86/26/76/673862676.db2.gz XDRFTBQLXUZXIF-LLVKDONJSA-N 1 1 361.851 2.353 20 5 FEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000601440753 673862677 /nfs/dbraw/zinc/86/26/77/673862677.db2.gz XDRFTBQLXUZXIF-LLVKDONJSA-N 1 1 361.851 2.353 20 5 FEBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000746662727 673888710 /nfs/dbraw/zinc/88/87/10/673888710.db2.gz HNMAWXHNMKHGHJ-ZDUSSCGKSA-N 1 1 353.423 2.028 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000746715682 673890894 /nfs/dbraw/zinc/89/08/94/673890894.db2.gz XMOBCICLDOEVQV-SNVBAGLBSA-N 1 1 352.347 2.186 20 5 FEBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602769054 673910921 /nfs/dbraw/zinc/91/09/21/673910921.db2.gz LYBNVVQYBVDOHQ-ZFWWWQNUSA-N 1 1 351.451 2.117 20 5 FEBDMO Cn1cc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000602822248 673911846 /nfs/dbraw/zinc/91/18/46/673911846.db2.gz QNWSJZWWMXHUAQ-ZFWWWQNUSA-N 1 1 363.805 2.043 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000602917632 673913947 /nfs/dbraw/zinc/91/39/47/673913947.db2.gz SQVKUOMSPNXNPL-OCCSQVGLSA-N 1 1 352.435 2.399 20 5 FEBDMO CC(C)Oc1nc(N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000566484358 675218005 /nfs/dbraw/zinc/21/80/05/675218005.db2.gz MWHWJXQTBNZEMX-ZDUSSCGKSA-N 1 1 352.435 2.058 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000819635173 675306475 /nfs/dbraw/zinc/30/64/75/675306475.db2.gz BMZLFPZKNHSKNO-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000823201047 675535942 /nfs/dbraw/zinc/53/59/42/675535942.db2.gz YDUFVTGJZGUUSS-NSHDSACASA-N 1 1 368.821 2.278 20 5 FEBDMO O=C(N1C[C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1)C(F)(F)F ZINC000824831184 675624331 /nfs/dbraw/zinc/62/43/31/675624331.db2.gz VMJWORRRIFXJCI-DGCLKSJQSA-N 1 1 357.332 2.437 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[C@@H]1C ZINC000827573795 675765808 /nfs/dbraw/zinc/76/58/08/675765808.db2.gz OXCGPFMTMHUWTD-NWDGAFQWSA-N 1 1 352.410 2.355 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@@]2(CCSC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000829261532 675872750 /nfs/dbraw/zinc/87/27/50/675872750.db2.gz MEDJMBSSDGMPDT-INIZCTEOSA-N 1 1 369.418 2.270 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](OC)CC2)cc1[N+](=O)[O-] ZINC000616136177 676240592 /nfs/dbraw/zinc/24/05/92/676240592.db2.gz OPXCCSOSWWKHNY-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO CON1CCC([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000839132038 680740281 /nfs/dbraw/zinc/74/02/81/680740281.db2.gz VJXFXAWFHGBSRS-UHFFFAOYSA-N 1 1 354.382 2.020 20 5 FEBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc(C(F)(F)F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022065264 680193487 /nfs/dbraw/zinc/19/34/87/680193487.db2.gz VKERKRQCXXJMJN-XJFOESAGSA-N 1 1 357.332 2.107 20 5 FEBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000752071841 680221882 /nfs/dbraw/zinc/22/18/82/680221882.db2.gz ZDJUJBLGONDEAY-STQMWFEESA-N 1 1 353.423 2.026 20 5 FEBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983647705 680317340 /nfs/dbraw/zinc/31/73/40/680317340.db2.gz BLGLXCOBALMUEU-XIDUGBJDSA-N 1 1 355.797 2.129 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000996428395 680332252 /nfs/dbraw/zinc/33/22/52/680332252.db2.gz AYDSPYYWPVLXOL-HUUCEWRRSA-N 1 1 353.369 2.370 20 5 FEBDMO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000754509661 680360682 /nfs/dbraw/zinc/36/06/82/680360682.db2.gz LQCJJYNHLUHPBD-QGZVFWFLSA-N 1 1 350.415 2.474 20 5 FEBDMO C[C@@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000754883062 680386439 /nfs/dbraw/zinc/38/64/39/680386439.db2.gz QEUWDPIHMAMGHO-GFCCVEGCSA-N 1 1 364.427 2.148 20 5 FEBDMO C[C@@H]1CC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000754883062 680386444 /nfs/dbraw/zinc/38/64/44/680386444.db2.gz QEUWDPIHMAMGHO-GFCCVEGCSA-N 1 1 364.427 2.148 20 5 FEBDMO O=C(NC1(C2CC[NH+](CC3CC(F)(F)C3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000153823 680421523 /nfs/dbraw/zinc/42/15/23/680421523.db2.gz MMJYITMBUWRHTI-ZIAGYGMSSA-N 1 1 357.401 2.058 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766247738 680871653 /nfs/dbraw/zinc/87/16/53/680871653.db2.gz IIGCYTMKCRQNSR-QWRGUYRKSA-N 1 1 350.375 2.366 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000766247738 680871654 /nfs/dbraw/zinc/87/16/54/680871654.db2.gz IIGCYTMKCRQNSR-QWRGUYRKSA-N 1 1 350.375 2.366 20 5 FEBDMO Cc1nn(CCC(=O)OC[C@@H]2CCC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000842833616 680970378 /nfs/dbraw/zinc/97/03/78/680970378.db2.gz MFINVEAFDIPYPA-OAHLLOKOSA-N 1 1 352.435 2.462 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000774299193 681177757 /nfs/dbraw/zinc/17/77/57/681177757.db2.gz VIJRFIXLWZNMPN-AWEZNQCLSA-N 1 1 354.428 2.263 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000774299193 681177760 /nfs/dbraw/zinc/17/77/60/681177760.db2.gz VIJRFIXLWZNMPN-AWEZNQCLSA-N 1 1 354.428 2.263 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2SC)C1 ZINC000932150696 681184327 /nfs/dbraw/zinc/18/43/27/681184327.db2.gz FELKVIQYSXVZLV-LBPRGKRZSA-N 1 1 353.444 2.157 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000846973577 681315160 /nfs/dbraw/zinc/31/51/60/681315160.db2.gz QBCJBMWPAHOKLW-CYBMUJFWSA-N 1 1 350.375 2.368 20 5 FEBDMO COc1cc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c([N+](=O)[O-])cc1F ZINC000933055719 681355452 /nfs/dbraw/zinc/35/54/52/681355452.db2.gz FJSQNMAKTWKWHE-CYBMUJFWSA-N 1 1 354.378 2.248 20 5 FEBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933737689 681460063 /nfs/dbraw/zinc/46/00/63/681460063.db2.gz DBBLHIHHQKGBOY-BWACUDIHSA-N 1 1 366.849 2.459 20 5 FEBDMO Cc1c(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000848033017 681464958 /nfs/dbraw/zinc/46/49/58/681464958.db2.gz IXYKTBMDFBEVEM-UHFFFAOYSA-N 1 1 350.375 2.286 20 5 FEBDMO Cc1c(C(=O)N2CC[N@H+](C)C(C)(C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000848033017 681464959 /nfs/dbraw/zinc/46/49/59/681464959.db2.gz IXYKTBMDFBEVEM-UHFFFAOYSA-N 1 1 350.375 2.286 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2N)C1 ZINC000933799516 681468690 /nfs/dbraw/zinc/46/86/90/681468690.db2.gz YXYBSYFRNANZIJ-SECBINFHSA-N 1 1 358.801 2.383 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848591381 681585483 /nfs/dbraw/zinc/58/54/83/681585483.db2.gz LUCOSAYFUNCRRM-GFCCVEGCSA-N 1 1 357.357 2.415 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934640749 681604301 /nfs/dbraw/zinc/60/43/01/681604301.db2.gz ABBOAOXGEWNNCB-INIZCTEOSA-N 1 1 350.415 2.491 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934640749 681604307 /nfs/dbraw/zinc/60/43/07/681604307.db2.gz ABBOAOXGEWNNCB-INIZCTEOSA-N 1 1 350.415 2.491 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])C(C)C ZINC000849388279 681708543 /nfs/dbraw/zinc/70/85/43/681708543.db2.gz RXFAIZLAQRGRDO-UHFFFAOYSA-N 1 1 366.443 2.152 20 5 FEBDMO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000935690902 681802305 /nfs/dbraw/zinc/80/23/05/681802305.db2.gz YBCCUFFUFVDMLA-GHMZBOCLSA-N 1 1 374.775 2.228 20 5 FEBDMO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccc(F)c(F)c2F)cc1 ZINC000850138369 681857736 /nfs/dbraw/zinc/85/77/36/681857736.db2.gz DOASAVXIPRUBKU-CZUORRHYSA-N 1 1 356.300 2.196 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000780866078 681879289 /nfs/dbraw/zinc/87/92/89/681879289.db2.gz IFKLWSMQIWSYIN-NSHDSACASA-N 1 1 361.851 2.319 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850519281 681912030 /nfs/dbraw/zinc/91/20/30/681912030.db2.gz ZNSDZLJTSPPWBO-VIFPVBQESA-N 1 1 370.349 2.231 20 5 FEBDMO CC[N@@H+](CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000783321990 682135083 /nfs/dbraw/zinc/13/50/83/682135083.db2.gz LPAPXOZLSRNHDQ-UHFFFAOYSA-N 1 1 356.810 2.033 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000851857018 682164879 /nfs/dbraw/zinc/16/48/79/682164879.db2.gz KMYCJZGQAHRRAK-UHFFFAOYSA-N 1 1 361.439 2.441 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000917061850 685529354 /nfs/dbraw/zinc/52/93/54/685529354.db2.gz AOGJZGQBHJLHCG-LLVKDONJSA-N 1 1 350.375 2.200 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000784719468 682248582 /nfs/dbraw/zinc/24/85/82/682248582.db2.gz ASRDQWQLFGDBAA-WCQYABFASA-N 1 1 373.450 2.441 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)ccc1Br ZINC000852314335 682258606 /nfs/dbraw/zinc/25/86/06/682258606.db2.gz RQRATPMQJYFXPJ-GFCCVEGCSA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Cn3ccnn3)C2)ccc1Br ZINC000852314335 682258607 /nfs/dbraw/zinc/25/86/07/682258607.db2.gz RQRATPMQJYFXPJ-GFCCVEGCSA-N 1 1 366.219 2.471 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@@](O)(C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852501428 682291517 /nfs/dbraw/zinc/29/15/17/682291517.db2.gz MGQRLNVMYXLPAI-KRWDZBQOSA-N 1 1 351.378 2.299 20 5 FEBDMO C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853065817 682370271 /nfs/dbraw/zinc/37/02/71/682370271.db2.gz ZTVDKBJEMCWDGJ-GFCCVEGCSA-N 1 1 369.219 2.047 20 5 FEBDMO CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000787961910 682493831 /nfs/dbraw/zinc/49/38/31/682493831.db2.gz NCJGOHODCYKCIK-AWEZNQCLSA-N 1 1 357.794 2.316 20 5 FEBDMO C[C@H](C[NH+]1CCOCC1)N(C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000788377983 682526137 /nfs/dbraw/zinc/52/61/37/682526137.db2.gz PHNQXXNCJOGLOH-GFCCVEGCSA-N 1 1 366.443 2.482 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000855161312 682633995 /nfs/dbraw/zinc/63/39/95/682633995.db2.gz NWZFCPYYASZIEK-JTQLQIEISA-N 1 1 363.443 2.450 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855809257 682715107 /nfs/dbraw/zinc/71/51/07/682715107.db2.gz AGQVUEZQDKKIFL-NSHDSACASA-N 1 1 350.394 2.453 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@H+]1C ZINC000798173280 683317772 /nfs/dbraw/zinc/31/77/72/683317772.db2.gz WJDLVVPZWALBJN-VHSXEESVSA-N 1 1 371.235 2.307 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1COC(=O)CCCC[NH+]1CCOCC1 ZINC000798193180 683320052 /nfs/dbraw/zinc/32/00/52/683320052.db2.gz WSWZWKYCMDQYDP-UHFFFAOYSA-N 1 1 352.387 2.149 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928080837 683373074 /nfs/dbraw/zinc/37/30/74/683373074.db2.gz QNSPRGUWAASWMZ-JSGCOSHPSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928080837 683373081 /nfs/dbraw/zinc/37/30/81/683373081.db2.gz QNSPRGUWAASWMZ-JSGCOSHPSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928080839 683373109 /nfs/dbraw/zinc/37/31/09/683373109.db2.gz QNSPRGUWAASWMZ-OCCSQVGLSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928080839 683373115 /nfs/dbraw/zinc/37/31/15/683373115.db2.gz QNSPRGUWAASWMZ-OCCSQVGLSA-N 1 1 353.419 2.352 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000921199704 683406121 /nfs/dbraw/zinc/40/61/21/683406121.db2.gz OSWIZLTWDPSFGF-CYBMUJFWSA-N 1 1 355.822 2.335 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000862796643 683635326 /nfs/dbraw/zinc/63/53/26/683635326.db2.gz SCCSHCXKACBCRS-GFCCVEGCSA-N 1 1 350.375 2.273 20 5 FEBDMO NC(=O)C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929770261 683637125 /nfs/dbraw/zinc/63/71/25/683637125.db2.gz DMBWCLVARSQAFR-SNVBAGLBSA-N 1 1 356.220 2.445 20 5 FEBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929770261 683637129 /nfs/dbraw/zinc/63/71/29/683637129.db2.gz DMBWCLVARSQAFR-SNVBAGLBSA-N 1 1 356.220 2.445 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOC3CCSCC3)C2)nc1 ZINC000929988453 683665700 /nfs/dbraw/zinc/66/57/00/683665700.db2.gz OBSKNSYBHAXVGJ-CYBMUJFWSA-N 1 1 352.460 2.388 20 5 FEBDMO O=[N+]([O-])CC[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000930301879 683707558 /nfs/dbraw/zinc/70/75/58/683707558.db2.gz GCAOMICEOJJSLT-SNVBAGLBSA-N 1 1 357.126 2.368 20 5 FEBDMO O=C1CC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)CC[C@H]2N1 ZINC000930995311 683815329 /nfs/dbraw/zinc/81/53/29/683815329.db2.gz ANLLNLHQIIVDPC-IINYFYTJSA-N 1 1 368.231 2.458 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)CC[C@H]2N1 ZINC000930995311 683815331 /nfs/dbraw/zinc/81/53/31/683815331.db2.gz ANLLNLHQIIVDPC-IINYFYTJSA-N 1 1 368.231 2.458 20 5 FEBDMO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000866226477 684084537 /nfs/dbraw/zinc/08/45/37/684084537.db2.gz LLFJMLIOHHZTJP-AWEZNQCLSA-N 1 1 352.454 2.281 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000872665526 685001197 /nfs/dbraw/zinc/00/11/97/685001197.db2.gz ZYIGCYBVEIYEBB-OLZOCXBDSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000872665526 685001200 /nfs/dbraw/zinc/00/12/00/685001200.db2.gz ZYIGCYBVEIYEBB-OLZOCXBDSA-N 1 1 373.862 2.414 20 5 FEBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000872720127 685008612 /nfs/dbraw/zinc/00/86/12/685008612.db2.gz INKAVJWDNDCUMI-CHWSQXEVSA-N 1 1 362.411 2.054 20 5 FEBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000872720127 685008615 /nfs/dbraw/zinc/00/86/15/685008615.db2.gz INKAVJWDNDCUMI-CHWSQXEVSA-N 1 1 362.411 2.054 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000874828157 685676153 /nfs/dbraw/zinc/67/61/53/685676153.db2.gz FVTVRFIRSPSMCL-VXGBXAGGSA-N 1 1 369.219 2.061 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000878711906 686641188 /nfs/dbraw/zinc/64/11/88/686641188.db2.gz VGJLHMKNIBITEF-UHFFFAOYSA-N 1 1 355.439 2.289 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)cc1F ZINC000878871660 686679580 /nfs/dbraw/zinc/67/95/80/686679580.db2.gz RURAVLDEZTZHKW-OAHLLOKOSA-N 1 1 369.462 2.374 20 5 FEBDMO CC(C)[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[N@H+]1C ZINC000879601198 686867471 /nfs/dbraw/zinc/86/74/71/686867471.db2.gz LMTDWWUIAMCJIU-MRXNPFEDSA-N 1 1 352.410 2.335 20 5 FEBDMO CC(C)[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000879601198 686867476 /nfs/dbraw/zinc/86/74/76/686867476.db2.gz LMTDWWUIAMCJIU-MRXNPFEDSA-N 1 1 352.410 2.335 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000879601198 686867481 /nfs/dbraw/zinc/86/74/81/686867481.db2.gz LMTDWWUIAMCJIU-MRXNPFEDSA-N 1 1 352.410 2.335 20 5 FEBDMO COCC1([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCC1 ZINC000880188251 687013480 /nfs/dbraw/zinc/01/34/80/687013480.db2.gz WQPZUORORVHRIC-UHFFFAOYSA-N 1 1 351.403 2.433 20 5 FEBDMO CNC(=O)C1([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCOCC1 ZINC000887091336 688367048 /nfs/dbraw/zinc/36/70/48/688367048.db2.gz HSJAZITWTQZQKB-UHFFFAOYSA-N 1 1 362.213 2.286 20 5 FEBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCC3(C2)OCCO3)cc1OC(F)F ZINC000895253656 689685209 /nfs/dbraw/zinc/68/52/09/689685209.db2.gz IJSQSWVYZFFMMN-UHFFFAOYSA-N 1 1 359.329 2.057 20 5 FEBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCC3(C2)OCCO3)cc1OC(F)F ZINC000895253656 689685212 /nfs/dbraw/zinc/68/52/12/689685212.db2.gz IJSQSWVYZFFMMN-UHFFFAOYSA-N 1 1 359.329 2.057 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CNCCC3(F)F)CC2)cc1 ZINC000903956714 690989630 /nfs/dbraw/zinc/98/96/30/690989630.db2.gz NEIMSCZZHIDDND-ZDUSSCGKSA-N 1 1 354.401 2.398 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000907555234 691518549 /nfs/dbraw/zinc/51/85/49/691518549.db2.gz SAAUFAGEZCBRTR-ABAIWWIYSA-N 1 1 373.862 2.129 20 5 FEBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001164643073 719159262 /nfs/dbraw/zinc/15/92/62/719159262.db2.gz ZHGZTSMHPFTXPN-VHSXEESVSA-N 1 1 356.810 2.349 20 5 FEBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001164643073 719159265 /nfs/dbraw/zinc/15/92/65/719159265.db2.gz ZHGZTSMHPFTXPN-VHSXEESVSA-N 1 1 356.810 2.349 20 5 FEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@H]2CCCO[C@@H]12 ZINC001164803146 721537086 /nfs/dbraw/zinc/53/70/86/721537086.db2.gz IHUWRWPERZXOSR-FRQCXROJSA-N 1 1 369.425 2.253 20 5 FEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@H]2CCCO[C@@H]12 ZINC001164803146 721537090 /nfs/dbraw/zinc/53/70/90/721537090.db2.gz IHUWRWPERZXOSR-FRQCXROJSA-N 1 1 369.425 2.253 20 5 FEBDMO Cc1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928499 721857327 /nfs/dbraw/zinc/85/73/27/721857327.db2.gz NROMMKSTRACTFK-QWHCGFSZSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928499 721857328 /nfs/dbraw/zinc/85/73/28/721857328.db2.gz NROMMKSTRACTFK-QWHCGFSZSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967266 722070811 /nfs/dbraw/zinc/07/08/11/722070811.db2.gz LMPXJHGNWMHXKE-BETUJISGSA-N 1 1 352.822 2.251 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000041652458 540029300 /nfs/dbraw/zinc/02/93/00/540029300.db2.gz ZZBHHDQGZGKUCE-STQMWFEESA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000041652452 540029703 /nfs/dbraw/zinc/02/97/03/540029703.db2.gz ZZBHHDQGZGKUCE-QWHCGFSZSA-N 1 1 362.430 2.078 20 5 FEBDMO O=C(CC[NH+]1CCN(Cc2ccco2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000041896099 540038806 /nfs/dbraw/zinc/03/88/06/540038806.db2.gz UWNHIWUKOWRMNG-UHFFFAOYSA-N 1 1 358.398 2.334 20 5 FEBDMO COc1ccccc1[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)[NH+](C)C ZINC000041904153 540038895 /nfs/dbraw/zinc/03/88/95/540038895.db2.gz GYCXGSLLQMWHIM-MRXNPFEDSA-N 1 1 358.398 2.340 20 5 FEBDMO CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000042685839 540074002 /nfs/dbraw/zinc/07/40/02/540074002.db2.gz IZBOLSWPQDVIKF-ZDUSSCGKSA-N 1 1 362.430 2.160 20 5 FEBDMO CCC(CC)[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)[NH+]1CCOCC1 ZINC000043484329 540101709 /nfs/dbraw/zinc/10/17/09/540101709.db2.gz IHVHVUFTFITIJV-KRWDZBQOSA-N 1 1 364.446 2.165 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000044582253 540131775 /nfs/dbraw/zinc/13/17/75/540131775.db2.gz RYRRTECLEOBIFK-BETUJISGSA-N 1 1 363.414 2.421 20 5 FEBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccccc1[N+](=O)[O-] ZINC000047276388 540301203 /nfs/dbraw/zinc/30/12/03/540301203.db2.gz FMDSXVUZEWYJCH-UHFFFAOYSA-N 1 1 355.394 2.357 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000051003347 540419356 /nfs/dbraw/zinc/41/93/56/540419356.db2.gz AEPPUKWCGMJTDM-ZDUSSCGKSA-N 1 1 363.414 2.200 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000052101455 540454339 /nfs/dbraw/zinc/45/43/39/540454339.db2.gz WKCPFXAYODNAGO-STQMWFEESA-N 1 1 370.475 2.178 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000053691427 540550222 /nfs/dbraw/zinc/55/02/22/540550222.db2.gz QUMLXRQILFQOHH-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000053691427 540550225 /nfs/dbraw/zinc/55/02/25/540550225.db2.gz QUMLXRQILFQOHH-UHFFFAOYSA-N 1 1 363.439 2.314 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000055240505 540639079 /nfs/dbraw/zinc/63/90/79/540639079.db2.gz SJECJCAAXNQLJZ-NEPJUHHUSA-N 1 1 359.423 2.133 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C(=O)NC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000055913498 540686148 /nfs/dbraw/zinc/68/61/48/540686148.db2.gz IPTUSGDOHJUZSU-ZDUSSCGKSA-N 1 1 374.441 2.221 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000056140920 540706131 /nfs/dbraw/zinc/70/61/31/540706131.db2.gz MHBXAFZSFVKYFZ-AGUYFDCRSA-N 1 1 353.444 2.054 20 5 FEBDMO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N)[N@H+]1CCc2ccccc2C1 ZINC000058093793 540829099 /nfs/dbraw/zinc/82/90/99/540829099.db2.gz BYRKZUMKVHPSKX-LBPRGKRZSA-N 1 1 372.400 2.493 20 5 FEBDMO Cc1c(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000062121038 541145246 /nfs/dbraw/zinc/14/52/46/541145246.db2.gz ZZBHHDQGZGKUCE-OLZOCXBDSA-N 1 1 362.430 2.078 20 5 FEBDMO C[N@@H+](CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-])Cc1ccccc1 ZINC000064916277 541220513 /nfs/dbraw/zinc/22/05/13/541220513.db2.gz DEBFVDLDHFGZPG-UHFFFAOYSA-N 1 1 353.382 2.375 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000065954375 541274055 /nfs/dbraw/zinc/27/40/55/541274055.db2.gz RSGOEUMDTONMFY-UHFFFAOYSA-N 1 1 374.397 2.294 20 5 FEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[N@H+]1CCCC[C@@H]1C ZINC000066307299 541299798 /nfs/dbraw/zinc/29/97/98/541299798.db2.gz PUBPGLMJKCZJSZ-STQMWFEESA-N 1 1 363.414 2.359 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000066484807 541325804 /nfs/dbraw/zinc/32/58/04/541325804.db2.gz VZJLZLZQCSGNPP-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO CCCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000066543673 541332990 /nfs/dbraw/zinc/33/29/90/541332990.db2.gz ZLVHMYLTKUXVNL-HNNXBMFYSA-N 1 1 356.444 2.263 20 5 FEBDMO CCCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 ZINC000066543673 541332994 /nfs/dbraw/zinc/33/29/94/541332994.db2.gz ZLVHMYLTKUXVNL-HNNXBMFYSA-N 1 1 356.444 2.263 20 5 FEBDMO O=C([C@H]1CCC[N@H+]1CCOc1ccccc1[N+](=O)[O-])N1CCSCC1 ZINC000067117683 541419366 /nfs/dbraw/zinc/41/93/66/541419366.db2.gz XEAXXMGWHJEBNJ-OAHLLOKOSA-N 1 1 365.455 2.013 20 5 FEBDMO O=C([C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-])N1CCSCC1 ZINC000067117683 541419369 /nfs/dbraw/zinc/41/93/69/541419369.db2.gz XEAXXMGWHJEBNJ-OAHLLOKOSA-N 1 1 365.455 2.013 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000067744181 541507677 /nfs/dbraw/zinc/50/76/77/541507677.db2.gz QRXKDMRMWCJBSA-KRWDZBQOSA-N 1 1 363.439 2.484 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000072716230 541856270 /nfs/dbraw/zinc/85/62/70/541856270.db2.gz JWMBBZNQPSAGKN-HNNXBMFYSA-N 1 1 367.471 2.256 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072759292 541860541 /nfs/dbraw/zinc/86/05/41/541860541.db2.gz WOIRZBHSDGTVPQ-MRXNPFEDSA-N 1 1 360.458 2.290 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072759295 541860708 /nfs/dbraw/zinc/86/07/08/541860708.db2.gz WOIRZBHSDGTVPQ-INIZCTEOSA-N 1 1 360.458 2.290 20 5 FEBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000074971126 542143154 /nfs/dbraw/zinc/14/31/54/542143154.db2.gz BUBKDDIRYZQQEP-NWDGAFQWSA-N 1 1 359.835 2.105 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075639737 542195080 /nfs/dbraw/zinc/19/50/80/542195080.db2.gz VBABKOIYRVTWBP-UHFFFAOYSA-N 1 1 369.487 2.477 20 5 FEBDMO CC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000075719893 542200507 /nfs/dbraw/zinc/20/05/07/542200507.db2.gz KKKAENQIWAEOMM-YOEHRIQHSA-N 1 1 362.430 2.114 20 5 FEBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000801555178 674135004 /nfs/dbraw/zinc/13/50/04/674135004.db2.gz GEQANYOWUPLBDC-MFKMUULPSA-N 1 1 359.220 2.329 20 5 FEBDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000801571816 674136832 /nfs/dbraw/zinc/13/68/32/674136832.db2.gz CRNFUVGUBKBYPM-MRXNPFEDSA-N 1 1 353.423 2.028 20 5 FEBDMO C[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000076331270 542261213 /nfs/dbraw/zinc/26/12/13/542261213.db2.gz UGYILFFHJATEKL-LBPRGKRZSA-N 1 1 369.853 2.253 20 5 FEBDMO CCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000076405102 542275216 /nfs/dbraw/zinc/27/52/16/542275216.db2.gz UUOQNEXBOGUOGT-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089927034 542774105 /nfs/dbraw/zinc/77/41/05/542774105.db2.gz UTQUIRRSTUDQQP-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)nc1 ZINC000093534735 542933761 /nfs/dbraw/zinc/93/37/61/542933761.db2.gz NQSJQNLJCWYLNX-HNNXBMFYSA-N 1 1 365.397 2.257 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3cccnc3)C2)nc1 ZINC000093534709 542933931 /nfs/dbraw/zinc/93/39/31/542933931.db2.gz MCGRYPRIVMEYNR-OAHLLOKOSA-N 1 1 365.397 2.461 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000093963085 542947084 /nfs/dbraw/zinc/94/70/84/542947084.db2.gz AVKRPSOIHRTASY-UHFFFAOYSA-N 1 1 362.474 2.277 20 5 FEBDMO CC(=O)c1ccc(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000101540007 543029711 /nfs/dbraw/zinc/02/97/11/543029711.db2.gz YCRSGTCPDMQEFO-MRXNPFEDSA-N 1 1 362.430 2.152 20 5 FEBDMO COc1ccc(C[N@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000102411005 543069242 /nfs/dbraw/zinc/06/92/42/543069242.db2.gz UCBBRYIJEIQNJR-UHFFFAOYSA-N 1 1 369.377 2.331 20 5 FEBDMO COc1ccc(C[N@@H+](C)CCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000102411005 543069245 /nfs/dbraw/zinc/06/92/45/543069245.db2.gz UCBBRYIJEIQNJR-UHFFFAOYSA-N 1 1 369.377 2.331 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102332804 543065453 /nfs/dbraw/zinc/06/54/53/543065453.db2.gz RCUGTIKQBPHAFQ-GASCZTMLSA-N 1 1 365.478 2.401 20 5 FEBDMO C[C@H](O)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000104684192 543137540 /nfs/dbraw/zinc/13/75/40/543137540.db2.gz GHGDALRCBGHDBT-AWEZNQCLSA-N 1 1 361.442 2.499 20 5 FEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000104870338 543148069 /nfs/dbraw/zinc/14/80/69/543148069.db2.gz GGIIFKDTESPXTL-IBGZPJMESA-N 1 1 369.421 2.409 20 5 FEBDMO Cc1cc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc([N+](=O)[O-])c1 ZINC000107283087 543265176 /nfs/dbraw/zinc/26/51/76/543265176.db2.gz YCDZONBFNJUNHD-KRWDZBQOSA-N 1 1 360.458 2.145 20 5 FEBDMO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000110356277 543355674 /nfs/dbraw/zinc/35/56/74/543355674.db2.gz CRPBTSYYZWSCDK-CQSZACIVSA-N 1 1 359.430 2.163 20 5 FEBDMO Cc1nn(C)c(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000110720910 543366251 /nfs/dbraw/zinc/36/62/51/543366251.db2.gz UIBMSBUVAPBLIU-CYBMUJFWSA-N 1 1 373.413 2.282 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000111269358 543390645 /nfs/dbraw/zinc/39/06/45/543390645.db2.gz TXFKKEGEWBCVDG-CQSZACIVSA-N 1 1 358.398 2.250 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000111275128 543391713 /nfs/dbraw/zinc/39/17/13/543391713.db2.gz VIWQKCSLKQQOKZ-STQMWFEESA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000111461579 543402336 /nfs/dbraw/zinc/40/23/36/543402336.db2.gz HEQHPKYTNILHGB-HNNXBMFYSA-N 1 1 350.419 2.277 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000112918513 543467727 /nfs/dbraw/zinc/46/77/27/543467727.db2.gz YBPKDRNSPKLNDQ-UHFFFAOYSA-N 1 1 351.451 2.221 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247466276 549337810 /nfs/dbraw/zinc/33/78/10/549337810.db2.gz RLNNCOWAIOLFLD-LRDDRELGSA-N 1 1 363.414 2.184 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000115585647 543576247 /nfs/dbraw/zinc/57/62/47/543576247.db2.gz AWENFCRRARUYJD-NSHDSACASA-N 1 1 361.851 2.211 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000115585649 543576289 /nfs/dbraw/zinc/57/62/89/543576289.db2.gz AWENFCRRARUYJD-LLVKDONJSA-N 1 1 361.851 2.211 20 5 FEBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H](OCC)C1(C)C ZINC000247477954 549340507 /nfs/dbraw/zinc/34/05/07/549340507.db2.gz JWACMHMLHUDELQ-JYJNAYRXSA-N 1 1 354.451 2.068 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123169281 543746329 /nfs/dbraw/zinc/74/63/29/543746329.db2.gz VCPUFUWLELWJAD-WDEREUQCSA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123169281 543746330 /nfs/dbraw/zinc/74/63/30/543746330.db2.gz VCPUFUWLELWJAD-WDEREUQCSA-N 1 1 361.489 2.363 20 5 FEBDMO COCCCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122615298 543713783 /nfs/dbraw/zinc/71/37/83/543713783.db2.gz PKZUVOSQEBHTFZ-CQSZACIVSA-N 1 1 365.430 2.439 20 5 FEBDMO Cc1cccc(NCCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[nH+]1 ZINC000126305731 543929123 /nfs/dbraw/zinc/92/91/23/543929123.db2.gz WMRDTPPRVCTQHN-UHFFFAOYSA-N 1 1 366.381 2.326 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1OC ZINC000127205992 543978511 /nfs/dbraw/zinc/97/85/11/543978511.db2.gz DEHSZUIOHHSFGM-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOC(=O)c1cc(N2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000127528870 543998316 /nfs/dbraw/zinc/99/83/16/543998316.db2.gz JRWHYPXHBABNGE-UHFFFAOYSA-N 1 1 365.430 2.319 20 5 FEBDMO CSc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000129241792 544099307 /nfs/dbraw/zinc/09/93/07/544099307.db2.gz GZQWGHVJFWVVIH-KGLIPLIRSA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1ccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000129241792 544099309 /nfs/dbraw/zinc/09/93/09/544099309.db2.gz GZQWGHVJFWVVIH-KGLIPLIRSA-N 1 1 365.455 2.300 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000129907365 544131339 /nfs/dbraw/zinc/13/13/39/544131339.db2.gz WZSHBTCMCQOSEH-ZDUSSCGKSA-N 1 1 358.398 2.500 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCc1ccccn1 ZINC000129907365 544131341 /nfs/dbraw/zinc/13/13/41/544131341.db2.gz WZSHBTCMCQOSEH-ZDUSSCGKSA-N 1 1 358.398 2.500 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000129859643 544130028 /nfs/dbraw/zinc/13/00/28/544130028.db2.gz SATKEUNXTKXCFG-KRWDZBQOSA-N 1 1 363.462 2.475 20 5 FEBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000134916568 544326997 /nfs/dbraw/zinc/32/69/97/544326997.db2.gz SORMSXYZWHAFHL-CYBMUJFWSA-N 1 1 367.833 2.433 20 5 FEBDMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452894 544347256 /nfs/dbraw/zinc/34/72/56/544347256.db2.gz WIDZTIIFAUBGKF-JKSUJKDBSA-N 1 1 358.398 2.070 20 5 FEBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000135565222 544352942 /nfs/dbraw/zinc/35/29/42/544352942.db2.gz FPNARGLNIMPHRW-WMLDXEAASA-N 1 1 360.414 2.077 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC2(CCOCC2)C1 ZINC000135593442 544355000 /nfs/dbraw/zinc/35/50/00/544355000.db2.gz SOGPYVQMRGYETQ-UHFFFAOYSA-N 1 1 363.414 2.113 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000137262906 544387705 /nfs/dbraw/zinc/38/77/05/544387705.db2.gz KVTHTHKUQGUKQS-GFCCVEGCSA-N 1 1 353.806 2.043 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000146591501 544440418 /nfs/dbraw/zinc/44/04/18/544440418.db2.gz KOJCSEYGKHNFJA-GFCCVEGCSA-N 1 1 359.835 2.107 20 5 FEBDMO CN(C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000151172232 544513066 /nfs/dbraw/zinc/51/30/66/544513066.db2.gz BYHQTKOIGBXWHL-HNNXBMFYSA-N 1 1 357.414 2.162 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153652214 544804016 /nfs/dbraw/zinc/80/40/16/544804016.db2.gz JZVBKDHYYVKCOH-CQSZACIVSA-N 1 1 363.462 2.298 20 5 FEBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000154084494 544861964 /nfs/dbraw/zinc/86/19/64/544861964.db2.gz BVEZVDKUUULVRA-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000154084494 544861967 /nfs/dbraw/zinc/86/19/67/544861967.db2.gz BVEZVDKUUULVRA-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO O=C(C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000181065574 327714878 /nfs/dbraw/zinc/71/48/78/327714878.db2.gz VGDXATUWADTRJG-IBGZPJMESA-N 1 1 355.394 2.133 20 5 FEBDMO CCC[C@@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000187324314 328016655 /nfs/dbraw/zinc/01/66/55/328016655.db2.gz PQQNOGPSCAHBAX-SFHVURJKSA-N 1 1 362.430 2.222 20 5 FEBDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000187324314 328016656 /nfs/dbraw/zinc/01/66/56/328016656.db2.gz PQQNOGPSCAHBAX-SFHVURJKSA-N 1 1 362.430 2.222 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000189146911 328131049 /nfs/dbraw/zinc/13/10/49/328131049.db2.gz OWCQQJWPRGSMBM-HUUCEWRRSA-N 1 1 369.487 2.177 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000190065516 328185354 /nfs/dbraw/zinc/18/53/54/328185354.db2.gz PKLWPCUGSJTKSE-QWHCGFSZSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000190065516 328185355 /nfs/dbraw/zinc/18/53/55/328185355.db2.gz PKLWPCUGSJTKSE-QWHCGFSZSA-N 1 1 353.444 2.115 20 5 FEBDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191479593 328267554 /nfs/dbraw/zinc/26/75/54/328267554.db2.gz LGROCIOTCIDUHS-QGZVFWFLSA-N 1 1 357.410 2.383 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000191802571 328282803 /nfs/dbraw/zinc/28/28/03/328282803.db2.gz DLDLHUNEDZDKHZ-HIFRSBDPSA-N 1 1 363.414 2.363 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000192026612 328295047 /nfs/dbraw/zinc/29/50/47/328295047.db2.gz LOLPZEYFOTZHMY-STQMWFEESA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000192026612 328295048 /nfs/dbraw/zinc/29/50/48/328295048.db2.gz LOLPZEYFOTZHMY-STQMWFEESA-N 1 1 353.444 2.115 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000192685608 328333144 /nfs/dbraw/zinc/33/31/44/328333144.db2.gz DAMQWBBKFMOGCV-MRXNPFEDSA-N 1 1 367.402 2.315 20 5 FEBDMO COc1cc(CN(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000193400278 328373162 /nfs/dbraw/zinc/37/31/62/328373162.db2.gz FCBLOMUFCVRMGR-OKILXGFUSA-N 1 1 367.446 2.153 20 5 FEBDMO COc1cc(CN(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000193400278 328373163 /nfs/dbraw/zinc/37/31/63/328373163.db2.gz FCBLOMUFCVRMGR-OKILXGFUSA-N 1 1 367.446 2.153 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000049944396 324687479 /nfs/dbraw/zinc/68/74/79/324687479.db2.gz OKMNUXMEGIRJTB-AWEZNQCLSA-N 1 1 362.342 2.437 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079557368 325096879 /nfs/dbraw/zinc/09/68/79/325096879.db2.gz GPNWVMOLHSESLC-PBHICJAKSA-N 1 1 371.441 2.269 20 5 FEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000080780370 325143819 /nfs/dbraw/zinc/14/38/19/325143819.db2.gz HEFNJNWNRZBSGY-LLVKDONJSA-N 1 1 356.810 2.169 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000081095753 325159135 /nfs/dbraw/zinc/15/91/35/325159135.db2.gz VCWNVIPCCCETAP-CZUORRHYSA-N 1 1 364.446 2.204 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083171073 325214225 /nfs/dbraw/zinc/21/42/25/325214225.db2.gz NQZKNHZXSCCWGZ-INIZCTEOSA-N 1 1 373.457 2.338 20 5 FEBDMO CC(C)C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000087035521 325270950 /nfs/dbraw/zinc/27/09/50/325270950.db2.gz OXWYUXBNHPDRAA-SFHVURJKSA-N 1 1 363.458 2.391 20 5 FEBDMO CCOc1ccc(C2=CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC2)cc1 ZINC000091813551 325394647 /nfs/dbraw/zinc/39/46/47/325394647.db2.gz HFIKUSQROLUIMJ-SFHVURJKSA-N 1 1 372.425 2.340 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(N3CCCC[C@@H]3C[NH+]3CCOCC3)cc2N1 ZINC000110594067 325689979 /nfs/dbraw/zinc/68/99/79/325689979.db2.gz RZYWJDXYQMDRHT-OAHLLOKOSA-N 1 1 374.441 2.171 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000117727120 326068398 /nfs/dbraw/zinc/06/83/98/326068398.db2.gz FFGBUDLOSUWENJ-CYBMUJFWSA-N 1 1 358.402 2.199 20 5 FEBDMO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118867168 326109872 /nfs/dbraw/zinc/10/98/72/326109872.db2.gz NRCWLRALUHRWPX-MRXNPFEDSA-N 1 1 369.425 2.101 20 5 FEBDMO Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118867168 326109873 /nfs/dbraw/zinc/10/98/73/326109873.db2.gz NRCWLRALUHRWPX-MRXNPFEDSA-N 1 1 369.425 2.101 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000119893976 326210409 /nfs/dbraw/zinc/21/04/09/326210409.db2.gz QYWUBEQKTPPCBQ-GHMZBOCLSA-N 1 1 371.384 2.491 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]2N1C1CC1 ZINC000119901452 326210934 /nfs/dbraw/zinc/21/09/34/326210934.db2.gz PZVULDHPCQJSKA-KDOFPFPSSA-N 1 1 359.426 2.449 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000121762364 326364620 /nfs/dbraw/zinc/36/46/20/326364620.db2.gz OPFRNMQMPLKHHR-UKRRQHHQSA-N 1 1 365.455 2.232 20 5 FEBDMO Cc1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000122280831 326390817 /nfs/dbraw/zinc/39/08/17/326390817.db2.gz KSTSXWQPPVSDHV-RDJZCZTQSA-N 1 1 372.425 2.224 20 5 FEBDMO C[NH+](C)CCNC(=O)c1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1 ZINC000123862099 326443653 /nfs/dbraw/zinc/44/36/53/326443653.db2.gz FXGBYSHUNDQJEV-UHFFFAOYSA-N 1 1 356.426 2.176 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134167897 326621013 /nfs/dbraw/zinc/62/10/13/326621013.db2.gz RLHILGBVNYERFT-CQSZACIVSA-N 1 1 356.430 2.334 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000156779656 326843555 /nfs/dbraw/zinc/84/35/55/326843555.db2.gz HQEKQONSRVARTL-UHFFFAOYSA-N 1 1 364.446 2.144 20 5 FEBDMO Cc1c(CC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000160215625 326957527 /nfs/dbraw/zinc/95/75/27/326957527.db2.gz RGHXLCQFOLKANC-ZIAGYGMSSA-N 1 1 363.458 2.450 20 5 FEBDMO Cc1nn(CCC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c(C)c1[N+](=O)[O-] ZINC000162611716 327029849 /nfs/dbraw/zinc/02/98/49/327029849.db2.gz WIHMUSJBZCRUQT-UHFFFAOYSA-N 1 1 374.445 2.013 20 5 FEBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000170774750 327098448 /nfs/dbraw/zinc/09/84/48/327098448.db2.gz DDFONVSGXPFIBK-UHFFFAOYSA-N 1 1 371.441 2.162 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(C3OCCO3)CC2)cccc1[N+](=O)[O-] ZINC000171238761 327126618 /nfs/dbraw/zinc/12/66/18/327126618.db2.gz LRBBCRHLNADQQO-ZDUSSCGKSA-N 1 1 363.414 2.315 20 5 FEBDMO COc1cc(OCC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000172836049 327221691 /nfs/dbraw/zinc/22/16/91/327221691.db2.gz PEJQRXXYTWJBLH-CQSZACIVSA-N 1 1 365.430 2.315 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000173248876 327244106 /nfs/dbraw/zinc/24/41/06/327244106.db2.gz SDHFRMUZMVPBTJ-DAYGRLMNSA-N 1 1 361.442 2.238 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000173248876 327244107 /nfs/dbraw/zinc/24/41/07/327244107.db2.gz SDHFRMUZMVPBTJ-DAYGRLMNSA-N 1 1 361.442 2.238 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000173669865 327275550 /nfs/dbraw/zinc/27/55/50/327275550.db2.gz GPYRLWGROOCCFE-CQSZACIVSA-N 1 1 355.460 2.398 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000173815300 327286157 /nfs/dbraw/zinc/28/61/57/327286157.db2.gz MPBVEZKKLXSENX-NEPJUHHUSA-N 1 1 373.862 2.414 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000173828189 327287119 /nfs/dbraw/zinc/28/71/19/327287119.db2.gz AAKBMMJSKXQFMR-UONOGXRCSA-N 1 1 353.444 2.151 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000174467368 327328622 /nfs/dbraw/zinc/32/86/22/327328622.db2.gz CTQXTRFNLBJEFS-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1OC ZINC000174537866 327333560 /nfs/dbraw/zinc/33/35/60/327333560.db2.gz JDYOUIMWEMDGCN-ZDUSSCGKSA-N 1 1 365.430 2.416 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174563289 327335155 /nfs/dbraw/zinc/33/51/55/327335155.db2.gz JMTKJBUELXTJJH-ZDUSSCGKSA-N 1 1 357.414 2.419 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000174819712 327353157 /nfs/dbraw/zinc/35/31/57/327353157.db2.gz APIPNKGRKBZRCX-UHFFFAOYSA-N 1 1 358.427 2.223 20 5 FEBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000261973272 328832726 /nfs/dbraw/zinc/83/27/26/328832726.db2.gz NKNQFKBCFSYZKS-MRXNPFEDSA-N 1 1 356.382 2.094 20 5 FEBDMO C[C@H](C[NH+]1CCN(C)CC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000264421230 329021158 /nfs/dbraw/zinc/02/11/58/329021158.db2.gz RBBSDBLTEBOMNY-LLVKDONJSA-N 1 1 357.252 2.405 20 5 FEBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1 ZINC000264428947 329022006 /nfs/dbraw/zinc/02/20/06/329022006.db2.gz TZOZTRWBKJHKFH-HNNXBMFYSA-N 1 1 355.442 2.359 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000264675948 329047339 /nfs/dbraw/zinc/04/73/39/329047339.db2.gz VNOBDZKCAPNZNM-UHFFFAOYSA-N 1 1 350.419 2.006 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])[NH+]1CCN(C)CC1 ZINC000264914974 329073932 /nfs/dbraw/zinc/07/39/32/329073932.db2.gz OIZWFCKDRFPFSX-INIZCTEOSA-N 1 1 368.865 2.250 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000264942402 329076996 /nfs/dbraw/zinc/07/69/96/329076996.db2.gz WIHWGDCCJOGOKO-AWEZNQCLSA-N 1 1 374.441 2.344 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000265099276 329090931 /nfs/dbraw/zinc/09/09/31/329090931.db2.gz XEBJZEZVQDSSPV-KGLIPLIRSA-N 1 1 361.446 2.180 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000266153047 329195614 /nfs/dbraw/zinc/19/56/14/329195614.db2.gz RGBMPGDAUODFDY-MRXNPFEDSA-N 1 1 360.458 2.145 20 5 FEBDMO Cc1n[nH]c(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000266427905 329221770 /nfs/dbraw/zinc/22/17/70/329221770.db2.gz RMRYGICSMONKMU-HNNXBMFYSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000266427905 329221771 /nfs/dbraw/zinc/22/17/71/329221771.db2.gz RMRYGICSMONKMU-HNNXBMFYSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000266427905 329221773 /nfs/dbraw/zinc/22/17/73/329221773.db2.gz RMRYGICSMONKMU-HNNXBMFYSA-N 1 1 357.414 2.220 20 5 FEBDMO CN(c1ncc([N+](=O)[O-])cc1C(N)=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000266847935 329265502 /nfs/dbraw/zinc/26/55/02/329265502.db2.gz POSOXTDBFHPFHC-HNNXBMFYSA-N 1 1 369.425 2.190 20 5 FEBDMO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000266953857 329276240 /nfs/dbraw/zinc/27/62/40/329276240.db2.gz WSWCXKATTUBZLT-ZDUSSCGKSA-N 1 1 364.402 2.004 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266965625 329277782 /nfs/dbraw/zinc/27/77/82/329277782.db2.gz XZYWCFGWRCLMQZ-LBPRGKRZSA-N 1 1 359.386 2.145 20 5 FEBDMO CCOC(=O)c1cc(N2CC[NH+](Cc3ccncc3)CC2)ccc1[N+](=O)[O-] ZINC000267505090 329333894 /nfs/dbraw/zinc/33/38/94/329333894.db2.gz AAZZKPBHNMGCDY-UHFFFAOYSA-N 1 1 370.409 2.489 20 5 FEBDMO Cc1ccccc1C[NH+]1CCN(C(=O)COc2cccnc2[N+](=O)[O-])CC1 ZINC000269796395 329549780 /nfs/dbraw/zinc/54/97/80/329549780.db2.gz BUOAKXISNBAMCL-UHFFFAOYSA-N 1 1 370.409 2.021 20 5 FEBDMO COc1ccc(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)cc1[N+](=O)[O-] ZINC000271726552 329719688 /nfs/dbraw/zinc/71/96/88/329719688.db2.gz OLVYVFQARDTXIZ-LLVKDONJSA-N 1 1 365.411 2.102 20 5 FEBDMO CCNC(=O)C(C)(C)C[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272514083 329787133 /nfs/dbraw/zinc/78/71/33/329787133.db2.gz JSGVZSRGGVESQR-OAHLLOKOSA-N 1 1 359.430 2.170 20 5 FEBDMO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)nc2)C1 ZINC000272667179 329803099 /nfs/dbraw/zinc/80/30/99/329803099.db2.gz JFDLPZNXSJALSL-AWEZNQCLSA-N 1 1 371.397 2.088 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275438706 330048972 /nfs/dbraw/zinc/04/89/72/330048972.db2.gz JYQYRUNTYWHXRZ-OAHLLOKOSA-N 1 1 351.403 2.025 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(c2cccc(F)c2)CC1 ZINC000367141586 330221740 /nfs/dbraw/zinc/22/17/40/330221740.db2.gz QVAAEZNKFHARAA-UHFFFAOYSA-N 1 1 374.416 2.496 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426208989 330269830 /nfs/dbraw/zinc/26/98/30/330269830.db2.gz GJFRAEPUGISXGE-GDBMZVCRSA-N 1 1 351.403 2.167 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000156000249 545590750 /nfs/dbraw/zinc/59/07/50/545590750.db2.gz RLNDTVULDCYLCF-SUMWQHHRSA-N 1 1 372.425 2.009 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Cn4ccnn4)CC3)o2)cc1 ZINC000156159007 545603886 /nfs/dbraw/zinc/60/38/86/545603886.db2.gz JWPVRMCTEWCYIL-UHFFFAOYSA-N 1 1 369.385 2.149 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000157673039 545768281 /nfs/dbraw/zinc/76/82/81/545768281.db2.gz RWFQJAALCIAKEG-INIZCTEOSA-N 1 1 365.430 2.359 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)COc3ccc([N+](=O)[O-])cc3)CC2)[nH+]c1 ZINC000157906851 545799043 /nfs/dbraw/zinc/79/90/43/545799043.db2.gz RCIUVEBFQBGLAR-UHFFFAOYSA-N 1 1 370.409 2.462 20 5 FEBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000157997420 545809930 /nfs/dbraw/zinc/80/99/30/545809930.db2.gz QSIDFMKYAXYBNQ-HNNXBMFYSA-N 1 1 363.805 2.182 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000157997420 545809936 /nfs/dbraw/zinc/80/99/36/545809936.db2.gz QSIDFMKYAXYBNQ-HNNXBMFYSA-N 1 1 363.805 2.182 20 5 FEBDMO CCOC(=O)c1c[nH+]ccc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000479376376 561188547 /nfs/dbraw/zinc/18/85/47/561188547.db2.gz KYLYQZDXIJVDOK-UHFFFAOYSA-N 1 1 356.382 2.493 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183391 546417196 /nfs/dbraw/zinc/41/71/96/546417196.db2.gz DUUBKWQFYHCVPG-ZBFHGGJFSA-N 1 1 364.446 2.374 20 5 FEBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000176287122 546427984 /nfs/dbraw/zinc/42/79/84/546427984.db2.gz BHMMFSVDWDDAOG-DZGCQCFKSA-N 1 1 364.446 2.232 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)c1 ZINC000177030252 546527992 /nfs/dbraw/zinc/52/79/92/546527992.db2.gz PXEOUIKGHRNMRW-UHFFFAOYSA-N 1 1 364.409 2.498 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000480961030 561221259 /nfs/dbraw/zinc/22/12/59/561221259.db2.gz LGQDILFGWBZGSY-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000480961030 561221260 /nfs/dbraw/zinc/22/12/60/561221260.db2.gz LGQDILFGWBZGSY-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)c1 ZINC000177721136 546673613 /nfs/dbraw/zinc/67/36/13/546673613.db2.gz GDOWBRSXHWQTRQ-QGZVFWFLSA-N 1 1 368.393 2.471 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000178382083 546784338 /nfs/dbraw/zinc/78/43/38/546784338.db2.gz PWWAVRUBSSOGIY-CJNGLKHVSA-N 1 1 353.444 2.008 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)[C@@H]1c1ccccc1 ZINC000180199408 547066902 /nfs/dbraw/zinc/06/69/02/547066902.db2.gz OIEPXMZXWMXQOR-PBHICJAKSA-N 1 1 358.373 2.491 20 5 FEBDMO CC(C)(CNC(=O)c1cc([N+](=O)[O-])cnc1N)[N@H+]1CCc2ccccc2C1 ZINC000180549001 547128509 /nfs/dbraw/zinc/12/85/09/547128509.db2.gz ZXZZKXKGZHIPIQ-UHFFFAOYSA-N 1 1 369.425 2.139 20 5 FEBDMO O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000180735100 547169871 /nfs/dbraw/zinc/16/98/71/547169871.db2.gz DBYDQILDDCOLSB-CALCHBBNSA-N 1 1 365.389 2.212 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000180752324 547172824 /nfs/dbraw/zinc/17/28/24/547172824.db2.gz CAFAZHMENQRYRW-MRXNPFEDSA-N 1 1 368.437 2.471 20 5 FEBDMO CCOC(=O)C1(COC)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000483195517 561270166 /nfs/dbraw/zinc/27/01/66/561270166.db2.gz BEPJIOSXPCERNH-UHFFFAOYSA-N 1 1 366.414 2.395 20 5 FEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182207605 547453515 /nfs/dbraw/zinc/45/35/15/547453515.db2.gz IAOQYFRDLUUNAR-AWEZNQCLSA-N 1 1 361.354 2.375 20 5 FEBDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182207605 547453520 /nfs/dbraw/zinc/45/35/20/547453520.db2.gz IAOQYFRDLUUNAR-AWEZNQCLSA-N 1 1 361.354 2.375 20 5 FEBDMO CN(C)C(=O)CC1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000182206468 547454122 /nfs/dbraw/zinc/45/41/22/547454122.db2.gz WHDIFWNYGSHMCD-UHFFFAOYSA-N 1 1 373.413 2.335 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182822661 547558022 /nfs/dbraw/zinc/55/80/22/547558022.db2.gz VBLOREBDECSFHG-LLVKDONJSA-N 1 1 358.324 2.344 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183567647 547682264 /nfs/dbraw/zinc/68/22/64/547682264.db2.gz SBADKYXGSGFNMQ-HIFRSBDPSA-N 1 1 370.413 2.417 20 5 FEBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000183911770 547739199 /nfs/dbraw/zinc/73/91/99/547739199.db2.gz RRFUUWDKYCAXGG-HNNXBMFYSA-N 1 1 359.430 2.215 20 5 FEBDMO CCOc1cccc(NCC[NH+]2CCN(c3ncccn3)CC2)c1[N+](=O)[O-] ZINC000184062852 547763027 /nfs/dbraw/zinc/76/30/27/547763027.db2.gz UOWXECCUYALVSA-UHFFFAOYSA-N 1 1 372.429 2.018 20 5 FEBDMO CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184174494 547781450 /nfs/dbraw/zinc/78/14/50/547781450.db2.gz FIPQEGNOAZADOS-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO COc1cc(CN2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000184228167 547791640 /nfs/dbraw/zinc/79/16/40/547791640.db2.gz UPXUEUBSXLYQIT-UHFFFAOYSA-N 1 1 355.410 2.285 20 5 FEBDMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000184309770 547805888 /nfs/dbraw/zinc/80/58/88/547805888.db2.gz MLNFASZCAFSUTC-LBPRGKRZSA-N 1 1 354.838 2.004 20 5 FEBDMO CN(CC[N@H+](C)C1CC1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000184788617 547879456 /nfs/dbraw/zinc/87/94/56/547879456.db2.gz JASWQSVZGOVGBU-UHFFFAOYSA-N 1 1 363.386 2.122 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000184788617 547879459 /nfs/dbraw/zinc/87/94/59/547879459.db2.gz JASWQSVZGOVGBU-UHFFFAOYSA-N 1 1 363.386 2.122 20 5 FEBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000184923400 547901486 /nfs/dbraw/zinc/90/14/86/547901486.db2.gz CIYSBJQBGMUMOU-INIZCTEOSA-N 1 1 371.441 2.373 20 5 FEBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])c(C)nn2C)CC[N@H+]1Cc1ccccc1 ZINC000184923400 547901490 /nfs/dbraw/zinc/90/14/90/547901490.db2.gz CIYSBJQBGMUMOU-INIZCTEOSA-N 1 1 371.441 2.373 20 5 FEBDMO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@H+]1Cc1ccccc1 ZINC000185349688 547973597 /nfs/dbraw/zinc/97/35/97/547973597.db2.gz QOBFBDJQFYCFKH-KRWDZBQOSA-N 1 1 371.441 2.223 20 5 FEBDMO COc1cccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1[N+](=O)[O-] ZINC000185632048 548012258 /nfs/dbraw/zinc/01/22/58/548012258.db2.gz DBDAFFHDVJKRPA-XYPWUTKMSA-N 1 1 360.458 2.351 20 5 FEBDMO C[C@H](NCc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713723 548024477 /nfs/dbraw/zinc/02/44/77/548024477.db2.gz CGMHOIPNDCUPHO-XJKSGUPXSA-N 1 1 360.458 2.436 20 5 FEBDMO CN(C(=O)C[N@@H+]1CCSC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000186837337 548203466 /nfs/dbraw/zinc/20/34/66/548203466.db2.gz HWBPELYBNWASDE-UHFFFAOYSA-N 1 1 365.455 2.156 20 5 FEBDMO CN(C(=O)C[N@H+]1CCSC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000186837337 548203468 /nfs/dbraw/zinc/20/34/68/548203468.db2.gz HWBPELYBNWASDE-UHFFFAOYSA-N 1 1 365.455 2.156 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000186901734 548215674 /nfs/dbraw/zinc/21/56/74/548215674.db2.gz QRFOLCOWLDVHAO-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCCO)Cc1ccccc1 ZINC000486778430 561356228 /nfs/dbraw/zinc/35/62/28/561356228.db2.gz RYFITWNDXOHXIY-UHFFFAOYSA-N 1 1 373.409 2.427 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCCO)Cc1ccccc1 ZINC000486778430 561356229 /nfs/dbraw/zinc/35/62/29/561356229.db2.gz RYFITWNDXOHXIY-UHFFFAOYSA-N 1 1 373.409 2.427 20 5 FEBDMO CC1([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)OCCO1 ZINC000194626967 548507768 /nfs/dbraw/zinc/50/77/68/548507768.db2.gz HSJGKNMJWQIDAZ-CYBMUJFWSA-N 1 1 351.359 2.478 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 ZINC000486883928 561358933 /nfs/dbraw/zinc/35/89/33/561358933.db2.gz KIAHDQVILSARFU-LBPRGKRZSA-N 1 1 364.402 2.153 20 5 FEBDMO COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486891642 561359006 /nfs/dbraw/zinc/35/90/06/561359006.db2.gz DCRSIQIDBSZXLH-NWDGAFQWSA-N 1 1 364.402 2.246 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000486991053 561360935 /nfs/dbraw/zinc/36/09/35/561360935.db2.gz ZCJYLVAEJOQVML-UHFFFAOYSA-N 1 1 352.341 2.469 20 5 FEBDMO C[NH2+]C[C@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237206927 548807703 /nfs/dbraw/zinc/80/77/03/548807703.db2.gz MFLPOIOXVFGWIA-ZETCQYMHSA-N 1 1 356.231 2.035 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C ZINC000487983017 561380684 /nfs/dbraw/zinc/38/06/84/561380684.db2.gz TYNNQPWFCMLIAS-UWWQBHOKSA-N 1 1 352.431 2.472 20 5 FEBDMO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1n1ccnc1 ZINC000245680216 548973435 /nfs/dbraw/zinc/97/34/35/548973435.db2.gz OZZSLQLNRVNXMQ-KBXCAEBGSA-N 1 1 369.425 2.264 20 5 FEBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1n1ccnc1 ZINC000245680216 548973440 /nfs/dbraw/zinc/97/34/40/548973440.db2.gz OZZSLQLNRVNXMQ-KBXCAEBGSA-N 1 1 369.425 2.264 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000246399356 549124464 /nfs/dbraw/zinc/12/44/64/549124464.db2.gz QHZIFJVIEYKWKT-YLJYHZDGSA-N 1 1 372.421 2.316 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246430681 549130863 /nfs/dbraw/zinc/13/08/63/549130863.db2.gz AZBMWQGLQFFYJX-ZENOOKHLSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246430681 549130866 /nfs/dbraw/zinc/13/08/66/549130866.db2.gz AZBMWQGLQFFYJX-ZENOOKHLSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000246460137 549137855 /nfs/dbraw/zinc/13/78/55/549137855.db2.gz JDXYOXVWOWMLEP-ZOWXZIJZSA-N 1 1 351.403 2.023 20 5 FEBDMO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488729054 561395551 /nfs/dbraw/zinc/39/55/51/561395551.db2.gz CREUZOGNRHHNGU-IOASZLSFSA-N 1 1 367.471 2.165 20 5 FEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488729054 561395552 /nfs/dbraw/zinc/39/55/52/561395552.db2.gz CREUZOGNRHHNGU-IOASZLSFSA-N 1 1 367.471 2.165 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246830427 549223358 /nfs/dbraw/zinc/22/33/58/549223358.db2.gz LUZJUDHXZKPZMZ-WCQYABFASA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000246830427 549223360 /nfs/dbraw/zinc/22/33/60/549223360.db2.gz LUZJUDHXZKPZMZ-WCQYABFASA-N 1 1 355.822 2.165 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246865594 549231523 /nfs/dbraw/zinc/23/15/23/549231523.db2.gz WEDGPBWCULNXSF-XJKSGUPXSA-N 1 1 355.460 2.087 20 5 FEBDMO C[NH+](C)CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000489057526 561402406 /nfs/dbraw/zinc/40/24/06/561402406.db2.gz JLQILLIJGXAPHB-UHFFFAOYSA-N 1 1 356.231 2.132 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000247261749 549308136 /nfs/dbraw/zinc/30/81/36/549308136.db2.gz QMGYDZRUBOTKSB-CXAGYDPISA-N 1 1 369.425 2.212 20 5 FEBDMO Cn1cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247267110 549308879 /nfs/dbraw/zinc/30/88/79/549308879.db2.gz XWYBXAOXKCNKJK-MSOLQXFVSA-N 1 1 372.425 2.375 20 5 FEBDMO Cn1cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247267110 549308882 /nfs/dbraw/zinc/30/88/82/549308882.db2.gz XWYBXAOXKCNKJK-MSOLQXFVSA-N 1 1 372.425 2.375 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000247634131 549367005 /nfs/dbraw/zinc/36/70/05/549367005.db2.gz TYLAHUYKCMSXAD-DZGCQCFKSA-N 1 1 353.444 2.008 20 5 FEBDMO C[N@H+]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000248458629 549443971 /nfs/dbraw/zinc/44/39/71/549443971.db2.gz NCJQHAJSCSQYQG-IEBWSBKVSA-N 1 1 371.437 2.323 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248477987 549447574 /nfs/dbraw/zinc/44/75/74/549447574.db2.gz PDWYXOYUEFJHDI-WFASDCNBSA-N 1 1 371.434 2.147 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248581889 549462026 /nfs/dbraw/zinc/46/20/26/549462026.db2.gz OXFMSOYKXDTIEB-UKRRQHHQSA-N 1 1 367.421 2.310 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000248581886 549462577 /nfs/dbraw/zinc/46/25/77/549462577.db2.gz OXFMSOYKXDTIEB-HIFRSBDPSA-N 1 1 367.421 2.310 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249006049 549539127 /nfs/dbraw/zinc/53/91/27/549539127.db2.gz JAWPYTGLTIEWOB-ZIAGYGMSSA-N 1 1 355.460 2.172 20 5 FEBDMO COc1cc(OCC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000250110075 549637179 /nfs/dbraw/zinc/63/71/79/549637179.db2.gz KALDQPUGGRSXPR-ZIAGYGMSSA-N 1 1 365.430 2.219 20 5 FEBDMO C[C@@H]1SCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000252480400 549666277 /nfs/dbraw/zinc/66/62/77/549666277.db2.gz AIUQNMWDVLXJOP-XKQJLSEDSA-N 1 1 362.455 2.331 20 5 FEBDMO CCCS(=O)(=O)NC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255895672 549709850 /nfs/dbraw/zinc/70/98/50/549709850.db2.gz NFNKFXWRERHHOC-ALCCZGGFSA-N 1 1 367.471 2.402 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000490425986 561432860 /nfs/dbraw/zinc/43/28/60/561432860.db2.gz NETGRRVEEMTBMT-AWEZNQCLSA-N 1 1 367.471 2.231 20 5 FEBDMO COc1cc(C[N@@H+](C)C2CCN(c3cccnn3)CC2)ccc1[N+](=O)[O-] ZINC000492910910 561453515 /nfs/dbraw/zinc/45/35/15/561453515.db2.gz JGKYLWDAOCTFHM-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO O=C1CC2(CN1)CC[NH+](Cc1coc(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000270648357 550292644 /nfs/dbraw/zinc/29/26/44/550292644.db2.gz STLDDPKXAYENKX-UHFFFAOYSA-N 1 1 356.382 2.352 20 5 FEBDMO CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270859340 550314613 /nfs/dbraw/zinc/31/46/13/550314613.db2.gz ZORJQXFFFDTDLJ-MRXNPFEDSA-N 1 1 371.441 2.313 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870966 550315803 /nfs/dbraw/zinc/31/58/03/550315803.db2.gz OCJPTJYNRXBODF-MJGOQNOKSA-N 1 1 369.421 2.208 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)s1 ZINC000271635374 550391654 /nfs/dbraw/zinc/39/16/54/550391654.db2.gz OQTHNHFETYYKLM-SECBINFHSA-N 1 1 356.429 2.167 20 5 FEBDMO CCc1nc(C)c(C[NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)o1 ZINC000494352491 561467891 /nfs/dbraw/zinc/46/78/91/561467891.db2.gz UVXGGXSBZUKVQI-UHFFFAOYSA-N 1 1 363.370 2.295 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000272298049 550435703 /nfs/dbraw/zinc/43/57/03/550435703.db2.gz IGKVPHSMDTUHOV-ZIAGYGMSSA-N 1 1 355.460 2.225 20 5 FEBDMO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCC2 ZINC000272378861 550442532 /nfs/dbraw/zinc/44/25/32/550442532.db2.gz DNSINSNXHUGELQ-LBPRGKRZSA-N 1 1 367.413 2.384 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000273402793 550497374 /nfs/dbraw/zinc/49/73/74/550497374.db2.gz PGZLXYINFZJWFB-SQWLQELKSA-N 1 1 352.431 2.063 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277019829 550622667 /nfs/dbraw/zinc/62/26/67/550622667.db2.gz AIZHBPBYCNREGB-YEBMWUKDSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000277019829 550622668 /nfs/dbraw/zinc/62/26/68/550622668.db2.gz AIZHBPBYCNREGB-YEBMWUKDSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277019826 550622728 /nfs/dbraw/zinc/62/27/28/550622728.db2.gz AIZHBPBYCNREGB-RZFZLAGVSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000277019826 550622729 /nfs/dbraw/zinc/62/27/29/550622729.db2.gz AIZHBPBYCNREGB-RZFZLAGVSA-N 1 1 353.444 2.075 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277168789 550639499 /nfs/dbraw/zinc/63/94/99/550639499.db2.gz KOSPBPVKZHCRFC-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000277168789 550639501 /nfs/dbraw/zinc/63/95/01/550639501.db2.gz KOSPBPVKZHCRFC-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277492543 550676819 /nfs/dbraw/zinc/67/68/19/550676819.db2.gz NVFUBVHTAWGPNW-HNNXBMFYSA-N 1 1 353.444 2.031 20 5 FEBDMO C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+]1CCC[C@@H](C)C1 ZINC000277605931 550690843 /nfs/dbraw/zinc/69/08/43/550690843.db2.gz AMGHIXGOECROGK-CHWSQXEVSA-N 1 1 374.445 2.391 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000278213126 550761404 /nfs/dbraw/zinc/76/14/04/550761404.db2.gz SYOHXXAQFNHIRB-UHFFFAOYSA-N 1 1 355.822 2.351 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000278572156 550800516 /nfs/dbraw/zinc/80/05/16/550800516.db2.gz NRIQKUJPFPTCGI-UONOGXRCSA-N 1 1 350.419 2.130 20 5 FEBDMO COc1cc(C[NH2+]Cc2ccc(NC(C)=O)nc2)c([N+](=O)[O-])cc1OC ZINC000278670767 550809858 /nfs/dbraw/zinc/80/98/58/550809858.db2.gz OBGHEKMJGUZCKI-UHFFFAOYSA-N 1 1 360.370 2.255 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278968562 550841633 /nfs/dbraw/zinc/84/16/33/550841633.db2.gz XOXUFAUYCDHNLL-XJKSGUPXSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000278968562 550841635 /nfs/dbraw/zinc/84/16/35/550841635.db2.gz XOXUFAUYCDHNLL-XJKSGUPXSA-N 1 1 353.444 2.156 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@](C)(OC)C1 ZINC000279236775 550868048 /nfs/dbraw/zinc/86/80/48/550868048.db2.gz FKVJHQLOIGQWRG-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000279852354 550936238 /nfs/dbraw/zinc/93/62/38/550936238.db2.gz BCFXQMUOIWTRET-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280610967 551013238 /nfs/dbraw/zinc/01/32/38/551013238.db2.gz PJNUCEQLCCOJSE-IYBDPMFKSA-N 1 1 366.421 2.381 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658512 551018578 /nfs/dbraw/zinc/01/85/78/551018578.db2.gz DSUJMWUPJQAXSG-PIGZYNQJSA-N 1 1 359.386 2.164 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)O1 ZINC000282506754 551239195 /nfs/dbraw/zinc/23/91/95/551239195.db2.gz ROCLMOAQJKZRIH-VZEFYGNVSA-N 1 1 364.398 2.157 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000497908876 561511040 /nfs/dbraw/zinc/51/10/40/561511040.db2.gz FFLFONHLEMCFFK-UHFFFAOYSA-N 1 1 370.409 2.060 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750848 551421595 /nfs/dbraw/zinc/42/15/95/551421595.db2.gz OMRQUYQNTPJFLX-IINYFYTJSA-N 1 1 350.394 2.012 20 5 FEBDMO CN1CCO[C@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000283950553 551455891 /nfs/dbraw/zinc/45/58/91/551455891.db2.gz AOKXOEKFDOIOCC-IRXDYDNUSA-N 1 1 372.425 2.197 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[C@H]1C ZINC000498557992 561528487 /nfs/dbraw/zinc/52/84/87/561528487.db2.gz XNPZQASJBBJRIP-KGLIPLIRSA-N 1 1 357.414 2.335 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000285473570 551761954 /nfs/dbraw/zinc/76/19/54/551761954.db2.gz OAPGDXBDGZJVCF-NCXUSEDFSA-N 1 1 356.426 2.420 20 5 FEBDMO CC(C)[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000286099583 551848715 /nfs/dbraw/zinc/84/87/15/551848715.db2.gz KXQOBTOKFLAMIP-GFCCVEGCSA-N 1 1 351.432 2.368 20 5 FEBDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000286259418 551866534 /nfs/dbraw/zinc/86/65/34/551866534.db2.gz GNJWIGCFDHYYHJ-TZMCWYRMSA-N 1 1 353.444 2.061 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000286483212 551891227 /nfs/dbraw/zinc/89/12/27/551891227.db2.gz JJTVRGZUHSDFDQ-UHFFFAOYSA-N 1 1 363.418 2.063 20 5 FEBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000286573155 551901564 /nfs/dbraw/zinc/90/15/64/551901564.db2.gz URAAAEXLBLGCPY-AWEZNQCLSA-N 1 1 365.430 2.363 20 5 FEBDMO CCC[C@@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000499653429 561555332 /nfs/dbraw/zinc/55/53/32/561555332.db2.gz AOQKLJONKPAZEG-GFCCVEGCSA-N 1 1 353.448 2.241 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000289786232 552378289 /nfs/dbraw/zinc/37/82/89/552378289.db2.gz MGQDWFVMXOYFLO-ZDUSSCGKSA-N 1 1 350.419 2.247 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000289868887 552392097 /nfs/dbraw/zinc/39/20/97/552392097.db2.gz RDVXWFQENNUMSN-XKQJLSEDSA-N 1 1 350.415 2.224 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290019090 552415021 /nfs/dbraw/zinc/41/50/21/552415021.db2.gz VADFXRIDQKEPSQ-ZIAGYGMSSA-N 1 1 366.805 2.131 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000290458017 552482046 /nfs/dbraw/zinc/48/20/46/552482046.db2.gz KECXXFSUOIBOAF-MZBDJJRSSA-N 1 1 374.441 2.179 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000500868772 561584806 /nfs/dbraw/zinc/58/48/06/561584806.db2.gz ZEHHXOAHBLUVRU-XJKSGUPXSA-N 1 1 357.414 2.051 20 5 FEBDMO Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2N)cc(N2CCCC2)[nH+]1 ZINC000290586410 552502682 /nfs/dbraw/zinc/50/26/82/552502682.db2.gz QDDWYEXTBFWTMH-UHFFFAOYSA-N 1 1 355.398 2.411 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000290616697 552507512 /nfs/dbraw/zinc/50/75/12/552507512.db2.gz KQEOQLABUZIUCW-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CN(CCCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000290616697 552507515 /nfs/dbraw/zinc/50/75/15/552507515.db2.gz KQEOQLABUZIUCW-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000290828614 552545269 /nfs/dbraw/zinc/54/52/69/552545269.db2.gz PICLVINSYCYTKM-UHFFFAOYSA-N 1 1 362.430 2.086 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000292281110 552712120 /nfs/dbraw/zinc/71/21/20/552712120.db2.gz QVLGEQGQMBEZCS-MRXNPFEDSA-N 1 1 371.441 2.360 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+](C2CCC2)C1 ZINC000293622135 552841199 /nfs/dbraw/zinc/84/11/99/552841199.db2.gz FSUNXXZNVGFRDF-LLVKDONJSA-N 1 1 350.394 2.263 20 5 FEBDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293899021 552866362 /nfs/dbraw/zinc/86/63/62/552866362.db2.gz WIZOBMHJBMNPGT-AWEZNQCLSA-N 1 1 370.457 2.175 20 5 FEBDMO CN(CC1CC[NH+](C)CC1)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294557093 552915680 /nfs/dbraw/zinc/91/56/80/552915680.db2.gz KQXPQFXDIIKJSK-UHFFFAOYSA-N 1 1 357.414 2.399 20 5 FEBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000294607833 552920194 /nfs/dbraw/zinc/92/01/94/552920194.db2.gz MRCRVQGUQDHRCU-NSHDSACASA-N 1 1 361.320 2.064 20 5 FEBDMO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000502896979 561629333 /nfs/dbraw/zinc/62/93/33/561629333.db2.gz SSRFRABEOOWVEZ-CYBMUJFWSA-N 1 1 371.401 2.422 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000297941944 553360273 /nfs/dbraw/zinc/36/02/73/553360273.db2.gz AJBBCFACBVKEAC-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298002996 553369493 /nfs/dbraw/zinc/36/94/93/553369493.db2.gz YCKUKSMDLGZIJK-NSHDSACASA-N 1 1 368.821 2.177 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](OC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000298368600 553417492 /nfs/dbraw/zinc/41/74/92/553417492.db2.gz CRSBPZTZSDSBSO-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000298739383 553466466 /nfs/dbraw/zinc/46/64/66/553466466.db2.gz RVEFIGZDGLJLCX-VIFPVBQESA-N 1 1 360.313 2.200 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C1 ZINC000298739383 553466468 /nfs/dbraw/zinc/46/64/68/553466468.db2.gz RVEFIGZDGLJLCX-VIFPVBQESA-N 1 1 360.313 2.200 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000298784444 553472417 /nfs/dbraw/zinc/47/24/17/553472417.db2.gz NQUMXRHBEJGLAY-UHFFFAOYSA-N 1 1 354.410 2.406 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000299193101 553528412 /nfs/dbraw/zinc/52/84/12/553528412.db2.gz DKEXQKFFDIZFQA-UHFFFAOYSA-N 1 1 373.413 2.252 20 5 FEBDMO COc1cc(C(=O)NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000299264881 553539588 /nfs/dbraw/zinc/53/95/88/553539588.db2.gz FBHLFGRMTRVWHG-UHFFFAOYSA-N 1 1 359.329 2.029 20 5 FEBDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000299431867 553562106 /nfs/dbraw/zinc/56/21/06/553562106.db2.gz LVXOOWZVYMOENS-FUHWJXTLSA-N 1 1 369.425 2.324 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000299446230 553564425 /nfs/dbraw/zinc/56/44/25/553564425.db2.gz YSLARNJSLWDUDI-GOEBONIOSA-N 1 1 374.441 2.093 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000299457616 553565797 /nfs/dbraw/zinc/56/57/97/553565797.db2.gz AZSLUSVQTFBUPR-ZIAGYGMSSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000299457616 553565799 /nfs/dbraw/zinc/56/57/99/553565799.db2.gz AZSLUSVQTFBUPR-ZIAGYGMSSA-N 1 1 362.430 2.160 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000299515900 553574322 /nfs/dbraw/zinc/57/43/22/553574322.db2.gz COONPYMJWXXOKR-HNNXBMFYSA-N 1 1 353.419 2.271 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000299573519 553583402 /nfs/dbraw/zinc/58/34/02/553583402.db2.gz CCCOKJLYNNRXEG-UHFFFAOYSA-N 1 1 373.356 2.373 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000301185005 553629501 /nfs/dbraw/zinc/62/95/01/553629501.db2.gz OXEJDBNSIIDYGC-UHFFFAOYSA-N 1 1 356.430 2.317 20 5 FEBDMO C[N@@H+](Cc1ccccc1)C1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000504674024 561661155 /nfs/dbraw/zinc/66/11/55/561661155.db2.gz UHRKMKDWGMJQPF-GOSISDBHSA-N 1 1 371.437 2.151 20 5 FEBDMO O=C(NC1CC1)c1ccc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000301367343 553645520 /nfs/dbraw/zinc/64/55/20/553645520.db2.gz RKDLJXBFYXWWFD-USXIJHARSA-N 1 1 370.453 2.408 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301975627 553695883 /nfs/dbraw/zinc/69/58/83/553695883.db2.gz VWBPQGZKDMMORI-CQSZACIVSA-N 1 1 352.822 2.167 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(NCCc2cn3c([nH+]2)CCCC3)s1 ZINC000302069821 553702069 /nfs/dbraw/zinc/70/20/69/553702069.db2.gz XTHPOJGOQXCSHE-UHFFFAOYSA-N 1 1 370.456 2.247 20 5 FEBDMO CCc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302452642 553717544 /nfs/dbraw/zinc/71/75/44/553717544.db2.gz SNANYPRMKBOIGT-AWEZNQCLSA-N 1 1 371.441 2.117 20 5 FEBDMO O=C1COc2cc([N+](=O)[O-])c(NCCc3cn4c([nH+]3)CCCC4)cc2N1 ZINC000302610591 553722913 /nfs/dbraw/zinc/72/29/13/553722913.db2.gz BMNPPEPOSTZFCM-UHFFFAOYSA-N 1 1 357.370 2.113 20 5 FEBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000312610992 553756326 /nfs/dbraw/zinc/75/63/26/553756326.db2.gz GTXJHRZHCOXKNT-HNNXBMFYSA-N 1 1 369.425 2.214 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000327959315 553792495 /nfs/dbraw/zinc/79/24/95/553792495.db2.gz UGMRHBORHFJJSI-UHFFFAOYSA-N 1 1 373.450 2.475 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330421193 554119840 /nfs/dbraw/zinc/11/98/40/554119840.db2.gz QCMJWOMEOJELSS-KBPBESRZSA-N 1 1 355.460 2.302 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000330431552 554121265 /nfs/dbraw/zinc/12/12/65/554121265.db2.gz JPOJODOCFOVBHK-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485277 554128040 /nfs/dbraw/zinc/12/80/40/554128040.db2.gz ARYCKTHKMACXOH-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000330879786 554182286 /nfs/dbraw/zinc/18/22/86/554182286.db2.gz AYPLQHKYWMNOBO-KGLIPLIRSA-N 1 1 355.460 2.254 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSc2cccc([N+](=O)[O-])c2)C1 ZINC000509081987 561784163 /nfs/dbraw/zinc/78/41/63/561784163.db2.gz LBPKLDRQMJEVBC-OAHLLOKOSA-N 1 1 367.471 2.160 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000332316751 554423942 /nfs/dbraw/zinc/42/39/42/554423942.db2.gz YRBWYCZAVOSLRG-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1ccc(NCCCNc2nc(N3CCOCC3)cc[nH+]2)c([N+](=O)[O-])c1 ZINC000610909234 554579673 /nfs/dbraw/zinc/57/96/73/554579673.db2.gz UNTZASYOLPHFNI-UHFFFAOYSA-N 1 1 372.429 2.444 20 5 FEBDMO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000510778647 561846380 /nfs/dbraw/zinc/84/63/80/561846380.db2.gz NHNOBSMSSZUJSY-CHWSQXEVSA-N 1 1 361.851 2.198 20 5 FEBDMO C[NH+]1CCN(C[C@H]2CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000361832656 554937060 /nfs/dbraw/zinc/93/70/60/554937060.db2.gz YRFANVUYKNYDSL-CYBMUJFWSA-N 1 1 353.854 2.107 20 5 FEBDMO Cc1ccc(NC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000362813973 554990573 /nfs/dbraw/zinc/99/05/73/554990573.db2.gz ZRBTYBYCNQGMGC-JKSUJKDBSA-N 1 1 362.430 2.356 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000363093117 555028779 /nfs/dbraw/zinc/02/87/79/555028779.db2.gz BUBRPLMURAVUOD-MRXNPFEDSA-N 1 1 360.414 2.350 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422734 555101636 /nfs/dbraw/zinc/10/16/36/555101636.db2.gz IXHGJUNWTZJYLY-JHJVBQTASA-N 1 1 353.444 2.276 20 5 FEBDMO Cc1cnn(C2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)c1 ZINC000363528988 555129381 /nfs/dbraw/zinc/12/93/81/555129381.db2.gz MMEZKPYVCIBJCR-UHFFFAOYSA-N 1 1 369.425 2.326 20 5 FEBDMO C[C@@H](NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)C1=CC[N@@H+](C)CC1 ZINC000512129956 561893363 /nfs/dbraw/zinc/89/33/63/561893363.db2.gz XZBIORREKZPOOU-CYBMUJFWSA-N 1 1 355.398 2.161 20 5 FEBDMO C[NH+](C)[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000364189932 555266214 /nfs/dbraw/zinc/26/62/14/555266214.db2.gz JUCGQPUYYRTPPY-LJQANCHMSA-N 1 1 355.394 2.451 20 5 FEBDMO O=C(CC[N@H+]1CCOC2(CCOCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000364247596 555277828 /nfs/dbraw/zinc/27/78/28/555277828.db2.gz ZUTUPRPGJIZGNK-UHFFFAOYSA-N 1 1 363.414 2.195 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000364394858 555305518 /nfs/dbraw/zinc/30/55/18/555305518.db2.gz VLKYGGBRORRGJO-HOCLYGCPSA-N 1 1 359.361 2.118 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000364394858 555305521 /nfs/dbraw/zinc/30/55/21/555305521.db2.gz VLKYGGBRORRGJO-HOCLYGCPSA-N 1 1 359.361 2.118 20 5 FEBDMO O=C1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CN1Cc1ccccc1 ZINC000364467560 555318906 /nfs/dbraw/zinc/31/89/06/555318906.db2.gz WLQIYXHITLKTQB-OAHLLOKOSA-N 1 1 370.365 2.394 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556369 555337566 /nfs/dbraw/zinc/33/75/66/555337566.db2.gz JBMBAKZYUVJMFT-DJIMGWMZSA-N 1 1 361.442 2.143 20 5 FEBDMO CC(=O)c1ccc(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000364664213 555367471 /nfs/dbraw/zinc/36/74/71/555367471.db2.gz UZLOTZGHLVVSSH-MRXNPFEDSA-N 1 1 360.458 2.261 20 5 FEBDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000512561010 561909072 /nfs/dbraw/zinc/90/90/72/561909072.db2.gz IFINQZSUBXOPFO-MZBDJJRSSA-N 1 1 374.441 2.450 20 5 FEBDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2 ZINC000512561010 561909074 /nfs/dbraw/zinc/90/90/74/561909074.db2.gz IFINQZSUBXOPFO-MZBDJJRSSA-N 1 1 374.441 2.450 20 5 FEBDMO Cc1cc(C(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000365115925 555489206 /nfs/dbraw/zinc/48/92/06/555489206.db2.gz IFSUJKRWSCQTNF-INIZCTEOSA-N 1 1 360.458 2.003 20 5 FEBDMO Cc1ccn(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000365127039 555491495 /nfs/dbraw/zinc/49/14/95/555491495.db2.gz SUKFUMSXJZNYGL-UHFFFAOYSA-N 1 1 357.414 2.400 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](N2CCOCC2)C(F)(F)F)c(F)c1 ZINC000512972773 561921333 /nfs/dbraw/zinc/92/13/33/561921333.db2.gz WEPZYSYBWZLFCC-CYBMUJFWSA-N 1 1 351.300 2.087 20 5 FEBDMO Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000365231874 555517572 /nfs/dbraw/zinc/51/75/72/555517572.db2.gz ZWUJHAGMKDWKFL-QGZVFWFLSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000365231874 555517574 /nfs/dbraw/zinc/51/75/74/555517574.db2.gz ZWUJHAGMKDWKFL-QGZVFWFLSA-N 1 1 360.458 2.144 20 5 FEBDMO CCc1nn(C)c(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1[N+](=O)[O-] ZINC000365974854 555715790 /nfs/dbraw/zinc/71/57/90/555715790.db2.gz IECUBFWOPXMMJB-HOCLYGCPSA-N 1 1 358.446 2.415 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000366608848 555889475 /nfs/dbraw/zinc/88/94/75/555889475.db2.gz NNOPPRVSNZWNFS-KRWDZBQOSA-N 1 1 360.414 2.283 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662417 556378057 /nfs/dbraw/zinc/37/80/57/556378057.db2.gz ICLKXGZRMLCLPR-JEBQAFNWSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662417 556378058 /nfs/dbraw/zinc/37/80/58/556378058.db2.gz ICLKXGZRMLCLPR-JEBQAFNWSA-N 1 1 374.441 2.397 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000368951770 556457506 /nfs/dbraw/zinc/45/75/06/556457506.db2.gz RUOIWAPDCVRHTF-OAHLLOKOSA-N 1 1 355.442 2.723 20 5 FEBDMO C[NH+]1CCC(N2CC[C@@H](Nc3nc4ccccc4cc3[N+](=O)[O-])C2)CC1 ZINC000368951770 556457508 /nfs/dbraw/zinc/45/75/08/556457508.db2.gz RUOIWAPDCVRHTF-OAHLLOKOSA-N 1 1 355.442 2.723 20 5 FEBDMO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369007043 556473862 /nfs/dbraw/zinc/47/38/62/556473862.db2.gz BTSFNULYDLNHKA-WBVHZDCISA-N 1 1 360.414 2.177 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000369586516 556639413 /nfs/dbraw/zinc/63/94/13/556639413.db2.gz YEOVLKKMGHAJIU-RKTXRCNFSA-N 1 1 350.415 2.080 20 5 FEBDMO CC(C)[N@H+]1CCO[C@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000370603928 556919957 /nfs/dbraw/zinc/91/99/57/556919957.db2.gz WZWCOCPFIMXUPD-HNNXBMFYSA-N 1 1 355.822 2.316 20 5 FEBDMO Nc1cc2c(nn1)CC[N@@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000370790760 556969876 /nfs/dbraw/zinc/96/98/76/556969876.db2.gz BRVJRJAQZHTPMX-UHFFFAOYSA-N 1 1 366.381 2.223 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370861113 556993683 /nfs/dbraw/zinc/99/36/83/556993683.db2.gz LTLUMKPKOCJHET-MRVPVSSYSA-N 1 1 372.353 2.284 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370861113 556993687 /nfs/dbraw/zinc/99/36/87/556993687.db2.gz LTLUMKPKOCJHET-MRVPVSSYSA-N 1 1 372.353 2.284 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000370872595 556997532 /nfs/dbraw/zinc/99/75/32/556997532.db2.gz RTSYSXDPXCMFNV-CQSZACIVSA-N 1 1 360.418 2.283 20 5 FEBDMO Cn1cc([C@@H]2[C@@H](CNC(=O)Cc3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000370920147 557016059 /nfs/dbraw/zinc/01/60/59/557016059.db2.gz ZGZSPSCWPRCPOU-BEFAXECRSA-N 1 1 371.441 2.070 20 5 FEBDMO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000370927374 557018880 /nfs/dbraw/zinc/01/88/80/557018880.db2.gz IASNJQHMQRMEPH-KBXCAEBGSA-N 1 1 371.441 2.450 20 5 FEBDMO Cc1[nH+]c(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c2n1CCCC2 ZINC000371303248 557138605 /nfs/dbraw/zinc/13/86/05/557138605.db2.gz CPCZRYCKFWLQRD-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)nn1 ZINC000372037394 557363705 /nfs/dbraw/zinc/36/37/05/557363705.db2.gz LHJTWVGNXXBNHD-NFBGWVBBSA-N 1 1 371.397 2.323 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000518846442 562119822 /nfs/dbraw/zinc/11/98/22/562119822.db2.gz UVJICOARSKRZKK-OLZOCXBDSA-N 1 1 362.430 2.037 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000518846442 562119823 /nfs/dbraw/zinc/11/98/23/562119823.db2.gz UVJICOARSKRZKK-OLZOCXBDSA-N 1 1 362.430 2.037 20 5 FEBDMO C[N@@H+](C[C@H]1CC12CCN(c1ccc(C(N)=O)cc1[N+](=O)[O-])CC2)C1CC1 ZINC000372424593 557467192 /nfs/dbraw/zinc/46/71/92/557467192.db2.gz GEBZYQPGPXBZBN-CQSZACIVSA-N 1 1 358.442 2.394 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372556241 557503532 /nfs/dbraw/zinc/50/35/32/557503532.db2.gz IYVMUAVWUBRAPD-LJQANCHMSA-N 1 1 374.441 2.176 20 5 FEBDMO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000372607331 557519549 /nfs/dbraw/zinc/51/95/49/557519549.db2.gz UJQOVQTVXODDCR-OAHLLOKOSA-N 1 1 363.418 2.108 20 5 FEBDMO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372607331 557519553 /nfs/dbraw/zinc/51/95/53/557519553.db2.gz UJQOVQTVXODDCR-OAHLLOKOSA-N 1 1 363.418 2.108 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000373253207 557658837 /nfs/dbraw/zinc/65/88/37/557658837.db2.gz SLXIEYFWLOFKPP-AVGNSLFASA-N 1 1 365.434 2.063 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000373253207 557658840 /nfs/dbraw/zinc/65/88/40/557658840.db2.gz SLXIEYFWLOFKPP-AVGNSLFASA-N 1 1 365.434 2.063 20 5 FEBDMO Cc1[nH+]c(CNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c2n1CCCC2 ZINC000373844960 557771974 /nfs/dbraw/zinc/77/19/74/557771974.db2.gz RAWVXCKLWTYZOJ-UHFFFAOYSA-N 1 1 358.398 2.440 20 5 FEBDMO O=C(NC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)c1ccco1 ZINC000374566652 557900668 /nfs/dbraw/zinc/90/06/68/557900668.db2.gz RMPPBYKRUGKAKL-PBHICJAKSA-N 1 1 373.409 2.363 20 5 FEBDMO COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)C2 ZINC000374641900 557911069 /nfs/dbraw/zinc/91/10/69/557911069.db2.gz BHCZYNLHJINPJJ-UGSOOPFHSA-N 1 1 372.381 2.420 20 5 FEBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374884406 557945783 /nfs/dbraw/zinc/94/57/83/557945783.db2.gz VFOWLQBCTZBJPA-HOCLYGCPSA-N 1 1 366.425 2.960 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCOCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000375200987 557991220 /nfs/dbraw/zinc/99/12/20/557991220.db2.gz JYJCDHRJTMHCCI-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO Nc1nccc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000375339040 558011547 /nfs/dbraw/zinc/01/15/47/558011547.db2.gz VTYBCNMYPVQIQV-NSHDSACASA-N 1 1 358.358 2.255 20 5 FEBDMO Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000375339040 558011549 /nfs/dbraw/zinc/01/15/49/558011549.db2.gz VTYBCNMYPVQIQV-NSHDSACASA-N 1 1 358.358 2.255 20 5 FEBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000375513653 558040861 /nfs/dbraw/zinc/04/08/61/558040861.db2.gz VOODZSFFLDGBHW-LLVKDONJSA-N 1 1 356.810 2.169 20 5 FEBDMO CC(C)n1nc2c(cc1=O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000375792493 558080389 /nfs/dbraw/zinc/08/03/89/558080389.db2.gz HIXTXZSNFAPZDT-UHFFFAOYSA-N 1 1 358.398 2.170 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000375894225 558095206 /nfs/dbraw/zinc/09/52/06/558095206.db2.gz XKWBTVXDFCGKKO-IRXDYDNUSA-N 1 1 370.365 2.331 20 5 FEBDMO C[N@H+]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000375894224 558095396 /nfs/dbraw/zinc/09/53/96/558095396.db2.gz XKWBTVXDFCGKKO-IAGOWNOFSA-N 1 1 370.365 2.331 20 5 FEBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C1 ZINC000376394020 558167634 /nfs/dbraw/zinc/16/76/34/558167634.db2.gz FFMSBJPNFHEBOM-LBPRGKRZSA-N 1 1 368.397 2.436 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000522004133 562188936 /nfs/dbraw/zinc/18/89/36/562188936.db2.gz NQXKNUIXDSAXPW-GOSISDBHSA-N 1 1 357.414 2.206 20 5 FEBDMO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522037502 562189952 /nfs/dbraw/zinc/18/99/52/562189952.db2.gz LPADJTIGIPDMJQ-OAHLLOKOSA-N 1 1 355.398 2.089 20 5 FEBDMO COC(=O)/C=C/c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512634 558354996 /nfs/dbraw/zinc/35/49/96/558354996.db2.gz OKZCEMHJMZAPDH-CJKAQPIMSA-N 1 1 361.398 2.056 20 5 FEBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)c2)C[C@@H](C)O1 ZINC000523098778 562208293 /nfs/dbraw/zinc/20/82/93/562208293.db2.gz AMBUAFHXIVBJOC-ZIAGYGMSSA-N 1 1 373.413 2.039 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524737079 562233463 /nfs/dbraw/zinc/23/34/63/562233463.db2.gz FPKFBPZPJNBACQ-OCCSQVGLSA-N 1 1 357.414 2.208 20 5 FEBDMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000524976758 562238905 /nfs/dbraw/zinc/23/89/05/562238905.db2.gz GWLLUFVWWJPLNE-IBGZPJMESA-N 1 1 370.409 2.353 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@H](C)C[NH+]1CCOCC1 ZINC000525358042 562246605 /nfs/dbraw/zinc/24/66/05/562246605.db2.gz RMVUNWSXQOIBKO-LBPRGKRZSA-N 1 1 369.393 2.291 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000411419323 558891966 /nfs/dbraw/zinc/89/19/66/558891966.db2.gz KGTBGOVRKVXVJK-ZFWWWQNUSA-N 1 1 362.430 2.030 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](CCC3CCCC3)CC2)cc1 ZINC000525634874 562251083 /nfs/dbraw/zinc/25/10/83/562251083.db2.gz WKEJWNFHQVANQC-UHFFFAOYSA-N 1 1 367.471 2.481 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000525678220 562251915 /nfs/dbraw/zinc/25/19/15/562251915.db2.gz UKJKLYZYKSCAQC-CYBMUJFWSA-N 1 1 363.414 2.312 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000411553119 558916186 /nfs/dbraw/zinc/91/61/86/558916186.db2.gz ICLMYRBHQKDZOY-RVSPLBMKSA-N 1 1 374.441 2.030 20 5 FEBDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000411579178 558921503 /nfs/dbraw/zinc/92/15/03/558921503.db2.gz CXWOUDBGSXGIHF-AWEZNQCLSA-N 1 1 362.430 2.093 20 5 FEBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411617230 558930099 /nfs/dbraw/zinc/93/00/99/558930099.db2.gz KOKKIEBKJKQZAW-VMGRFDJRSA-N 1 1 361.398 2.197 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411715108 558949524 /nfs/dbraw/zinc/94/95/24/558949524.db2.gz AXHVMRXMTCJFTN-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411715108 558949525 /nfs/dbraw/zinc/94/95/25/558949525.db2.gz AXHVMRXMTCJFTN-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411715108 558949526 /nfs/dbraw/zinc/94/95/26/558949526.db2.gz AXHVMRXMTCJFTN-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412067659 559009193 /nfs/dbraw/zinc/00/91/93/559009193.db2.gz DWGYNTNCCLMNKV-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412076057 559010314 /nfs/dbraw/zinc/01/03/14/559010314.db2.gz JJBGLKXNNIHUEU-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1F ZINC000412122675 559015666 /nfs/dbraw/zinc/01/56/66/559015666.db2.gz GRMNLQBLRWLOEK-DGCLKSJQSA-N 1 1 353.394 2.084 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412362966 559031060 /nfs/dbraw/zinc/03/10/60/559031060.db2.gz QYLKFAQBMDIOSG-ZWKOTPCHSA-N 1 1 362.474 2.040 20 5 FEBDMO CN(CCCN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)CC[NH+](C)C ZINC000412362966 559031061 /nfs/dbraw/zinc/03/10/61/559031061.db2.gz QYLKFAQBMDIOSG-ZWKOTPCHSA-N 1 1 362.474 2.040 20 5 FEBDMO CCN1CC[NH+]([C@H]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000413135028 559081710 /nfs/dbraw/zinc/08/17/10/559081710.db2.gz LUSJGSCJQULUMI-KRWDZBQOSA-N 1 1 355.442 2.359 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c(F)c1 ZINC000413152949 559083541 /nfs/dbraw/zinc/08/35/41/559083541.db2.gz JNIBNHXXZVJZBC-WMLDXEAASA-N 1 1 360.389 2.424 20 5 FEBDMO C[C@H]1CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+]1Cc1ccccc1 ZINC000413535278 559114860 /nfs/dbraw/zinc/11/48/60/559114860.db2.gz SVGLDELSZURWRH-AWEZNQCLSA-N 1 1 352.398 2.348 20 5 FEBDMO CC(C)c1ccc(C(=O)NCCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000527128545 562277409 /nfs/dbraw/zinc/27/74/09/562277409.db2.gz SXTHMQOMEQHBAO-UHFFFAOYSA-N 1 1 362.474 2.476 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416389338 559309421 /nfs/dbraw/zinc/30/94/21/559309421.db2.gz MSTJHNAPMFOMHF-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416389338 559309422 /nfs/dbraw/zinc/30/94/22/559309422.db2.gz MSTJHNAPMFOMHF-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416397250 559310150 /nfs/dbraw/zinc/31/01/50/559310150.db2.gz ILTITWWYXQNJGA-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1C ZINC000416557506 559321665 /nfs/dbraw/zinc/32/16/65/559321665.db2.gz GYKKLKJMPDPPPB-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416991760 559342548 /nfs/dbraw/zinc/34/25/48/559342548.db2.gz CRGDZGSQABRUFA-UONOGXRCSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416991760 559342549 /nfs/dbraw/zinc/34/25/49/559342549.db2.gz CRGDZGSQABRUFA-UONOGXRCSA-N 1 1 350.419 2.130 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417385255 559360351 /nfs/dbraw/zinc/36/03/51/559360351.db2.gz LWURSGCGTHHRGC-CJNGLKHVSA-N 1 1 365.384 2.347 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000419338568 559438240 /nfs/dbraw/zinc/43/82/40/559438240.db2.gz LJICXLLJDUJAHX-HUUCEWRRSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)CN1CCO ZINC000419338568 559438241 /nfs/dbraw/zinc/43/82/41/559438241.db2.gz LJICXLLJDUJAHX-HUUCEWRRSA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)CN1CCO ZINC000419338568 559438242 /nfs/dbraw/zinc/43/82/42/559438242.db2.gz LJICXLLJDUJAHX-HUUCEWRRSA-N 1 1 374.441 2.179 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(CN3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420323667 559480586 /nfs/dbraw/zinc/48/05/86/559480586.db2.gz GQAFXCFTOSLENP-GJZGRUSLSA-N 1 1 357.414 2.466 20 5 FEBDMO C[C@@H](CCC[NH3+])NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420433249 559487135 /nfs/dbraw/zinc/48/71/35/559487135.db2.gz CJLMSYFSKFSHBL-ZETCQYMHSA-N 1 1 356.231 2.307 20 5 FEBDMO NC(=O)c1cccc([N+](=O)[O-])c1NCC1([NH+]2CCOCC2)CCCCC1 ZINC000420582465 559492791 /nfs/dbraw/zinc/49/27/91/559492791.db2.gz JGKKSMHORILFJW-UHFFFAOYSA-N 1 1 362.430 2.141 20 5 FEBDMO CCCN1C[C@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421353265 559539885 /nfs/dbraw/zinc/53/98/85/559539885.db2.gz PBXCXISSJLIGON-KBXCAEBGSA-N 1 1 371.441 2.266 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000421377095 559540531 /nfs/dbraw/zinc/54/05/31/559540531.db2.gz HMAJOMYJJLPBHP-CQSZACIVSA-N 1 1 353.444 2.161 20 5 FEBDMO [NH3+]C1CCN(CCCC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000423722641 559637166 /nfs/dbraw/zinc/63/71/66/559637166.db2.gz KIIJWNAMFIPCKP-UHFFFAOYSA-N 1 1 360.458 2.289 20 5 FEBDMO CCOc1ccc(C(=O)N2CC[NH+](C(C)(C)COC)CC2)cc1[N+](=O)[O-] ZINC000424996365 559682825 /nfs/dbraw/zinc/68/28/25/559682825.db2.gz DDOZUIUWGYEHEJ-UHFFFAOYSA-N 1 1 365.430 2.176 20 5 FEBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)sc2C1 ZINC000425038087 559684727 /nfs/dbraw/zinc/68/47/27/559684727.db2.gz LGEAGOXPJBSXLW-UHFFFAOYSA-N 1 1 350.404 2.183 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425541072 559708579 /nfs/dbraw/zinc/70/85/79/559708579.db2.gz FPHYXIHHHXXYAM-SNVBAGLBSA-N 1 1 352.192 2.465 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425541072 559708580 /nfs/dbraw/zinc/70/85/80/559708580.db2.gz FPHYXIHHHXXYAM-SNVBAGLBSA-N 1 1 352.192 2.465 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000427359871 559754148 /nfs/dbraw/zinc/75/41/48/559754148.db2.gz XFRGNQSEIXSKPS-OAHLLOKOSA-N 1 1 357.414 2.158 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000431924245 559848539 /nfs/dbraw/zinc/84/85/39/559848539.db2.gz GSJCIZPHKUQEKM-UHFFFAOYSA-N 1 1 353.176 2.292 20 5 FEBDMO CCOC(=O)c1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000432943781 559868300 /nfs/dbraw/zinc/86/83/00/559868300.db2.gz NZIWUHGKQHWVQF-OKILXGFUSA-N 1 1 365.430 2.317 20 5 FEBDMO CCOC(=O)c1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000432943781 559868301 /nfs/dbraw/zinc/86/83/01/559868301.db2.gz NZIWUHGKQHWVQF-OKILXGFUSA-N 1 1 365.430 2.317 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433193607 559873246 /nfs/dbraw/zinc/87/32/46/559873246.db2.gz RKZNZSUSUMBSCV-CVEARBPZSA-N 1 1 370.471 2.179 20 5 FEBDMO COc1cc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)ccc1[N+](=O)[O-] ZINC000434746732 559908223 /nfs/dbraw/zinc/90/82/23/559908223.db2.gz JYQXLRKGZIWAIB-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@H]1CCO ZINC000438651439 559981844 /nfs/dbraw/zinc/98/18/44/559981844.db2.gz JMJRPGXFZSULJD-CQSZACIVSA-N 1 1 353.444 2.032 20 5 FEBDMO C[NH+](C)[C@@H](CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1)c1ccccc1 ZINC000439129365 559988903 /nfs/dbraw/zinc/98/89/03/559988903.db2.gz BHGWWWLDQWHDHI-INIZCTEOSA-N 1 1 353.382 2.958 20 5 FEBDMO Cc1cccc(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000440507675 560012902 /nfs/dbraw/zinc/01/29/02/560012902.db2.gz UHRRULFTUDPOHS-HXUWFJFHSA-N 1 1 369.421 2.270 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000443361656 560081905 /nfs/dbraw/zinc/08/19/05/560081905.db2.gz YUHABBVLLSQGDF-KGLIPLIRSA-N 1 1 362.430 2.173 20 5 FEBDMO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000443626411 560088914 /nfs/dbraw/zinc/08/89/14/560088914.db2.gz PZIZAUGKKPMHPP-JSGCOSHPSA-N 1 1 350.419 2.085 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000446080627 560139690 /nfs/dbraw/zinc/13/96/90/560139690.db2.gz MPLLXUJVDQTVOR-YNEHKIRRSA-N 1 1 351.403 2.430 20 5 FEBDMO Cc1nn(C)c2ncc(C[NH2+]Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)cc12 ZINC000446846395 560152460 /nfs/dbraw/zinc/15/24/60/560152460.db2.gz ZFNYZPJOAVXPSY-UHFFFAOYSA-N 1 1 351.370 2.351 20 5 FEBDMO COCCCN1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447543756 560164085 /nfs/dbraw/zinc/16/40/85/560164085.db2.gz SCGVKJDQYHTJHH-IAGOWNOFSA-N 1 1 365.478 2.366 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)c1cc(CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000447814865 560169844 /nfs/dbraw/zinc/16/98/44/560169844.db2.gz AMHBMSHRKOIMAP-UHFFFAOYSA-N 1 1 373.457 2.458 20 5 FEBDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000447940381 560173970 /nfs/dbraw/zinc/17/39/70/560173970.db2.gz NSKYTOIGXRLHIZ-CQSZACIVSA-N 1 1 359.423 2.133 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000447940381 560173971 /nfs/dbraw/zinc/17/39/71/560173971.db2.gz NSKYTOIGXRLHIZ-CQSZACIVSA-N 1 1 359.423 2.133 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)CC12COC2 ZINC000449364303 560227034 /nfs/dbraw/zinc/22/70/34/560227034.db2.gz NOCGJKLIHVTZJO-HNNXBMFYSA-N 1 1 364.398 2.005 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)CC12COC2 ZINC000449364303 560227035 /nfs/dbraw/zinc/22/70/35/560227035.db2.gz NOCGJKLIHVTZJO-HNNXBMFYSA-N 1 1 364.398 2.005 20 5 FEBDMO C[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)[NH+](C)C ZINC000449554827 560233363 /nfs/dbraw/zinc/23/33/63/560233363.db2.gz DREBTUNPWIGBOT-VIFPVBQESA-N 1 1 363.199 2.239 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000449673053 560236323 /nfs/dbraw/zinc/23/63/23/560236323.db2.gz NVYRVQRFKDUCLN-OTYXRUKQSA-N 1 1 364.320 2.357 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])cc1OC ZINC000449673053 560236324 /nfs/dbraw/zinc/23/63/24/560236324.db2.gz NVYRVQRFKDUCLN-OTYXRUKQSA-N 1 1 364.320 2.357 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449985940 560247256 /nfs/dbraw/zinc/24/72/56/560247256.db2.gz NPPFVLDMXPESEW-SJCJKPOMSA-N 1 1 357.414 2.397 20 5 FEBDMO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449985940 560247257 /nfs/dbraw/zinc/24/72/57/560247257.db2.gz NPPFVLDMXPESEW-SJCJKPOMSA-N 1 1 357.414 2.397 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449985940 560247258 /nfs/dbraw/zinc/24/72/58/560247258.db2.gz NPPFVLDMXPESEW-SJCJKPOMSA-N 1 1 357.414 2.397 20 5 FEBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450096235 560250647 /nfs/dbraw/zinc/25/06/47/560250647.db2.gz GOCDAFRVMGKSFQ-HIFRSBDPSA-N 1 1 357.414 2.239 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152969 560252325 /nfs/dbraw/zinc/25/23/25/560252325.db2.gz RQZRSXDDZZLIAF-PIGZYNQJSA-N 1 1 355.398 2.197 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC[C@H]4CCOC4)CC3)nc2c1 ZINC000450741859 560271827 /nfs/dbraw/zinc/27/18/27/560271827.db2.gz YOOYKLXYVQDNRM-AWEZNQCLSA-N 1 1 359.430 2.410 20 5 FEBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)C1=CC[N@@H+](C)CC1 ZINC000450755956 560272123 /nfs/dbraw/zinc/27/21/23/560272123.db2.gz JTIVRXATOSJXMZ-CYBMUJFWSA-N 1 1 355.398 2.161 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000450952916 560279770 /nfs/dbraw/zinc/27/97/70/560279770.db2.gz JLEKBRHOEYNULW-OAHLLOKOSA-N 1 1 372.425 2.072 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC000450952916 560279771 /nfs/dbraw/zinc/27/97/71/560279771.db2.gz JLEKBRHOEYNULW-OAHLLOKOSA-N 1 1 372.425 2.072 20 5 FEBDMO CCOC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC12COC2 ZINC000451133073 560289010 /nfs/dbraw/zinc/28/90/10/560289010.db2.gz JLWYUVRBLHIHSC-CQSZACIVSA-N 1 1 364.398 2.005 20 5 FEBDMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC12COC2 ZINC000451133073 560289011 /nfs/dbraw/zinc/28/90/11/560289011.db2.gz JLWYUVRBLHIHSC-CQSZACIVSA-N 1 1 364.398 2.005 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3C[C@H](O)C[C@@H]3[C@@H]3CCCOC3)n2)cc1 ZINC000451302252 560298979 /nfs/dbraw/zinc/29/89/79/560298979.db2.gz KDCQGLVUXZLNTC-FVQBIDKESA-N 1 1 374.397 2.007 20 5 FEBDMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543104 560313500 /nfs/dbraw/zinc/31/35/00/560313500.db2.gz ATRCUXDZRRRBOO-TZMCWYRMSA-N 1 1 371.445 2.369 20 5 FEBDMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543104 560313501 /nfs/dbraw/zinc/31/35/01/560313501.db2.gz ATRCUXDZRRRBOO-TZMCWYRMSA-N 1 1 371.445 2.369 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOCC12CCCCC2 ZINC000451816631 560330357 /nfs/dbraw/zinc/33/03/57/560330357.db2.gz PLKWTDIXBWHCBH-OAHLLOKOSA-N 1 1 350.415 2.370 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451904431 560336081 /nfs/dbraw/zinc/33/60/81/560336081.db2.gz QTBNCUATUKPAHI-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000454023105 560422778 /nfs/dbraw/zinc/42/27/78/560422778.db2.gz LJAPQQMFMSQPHF-LLVKDONJSA-N 1 1 368.821 2.129 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000456354382 560516858 /nfs/dbraw/zinc/51/68/58/560516858.db2.gz PDKPFIMPKVTANS-LBPRGKRZSA-N 1 1 358.398 2.405 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000457112393 560549901 /nfs/dbraw/zinc/54/99/01/560549901.db2.gz JIIUHUVSFMBDBU-QGZVFWFLSA-N 1 1 357.414 2.335 20 5 FEBDMO O=C1[C@H]([N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656450 560700447 /nfs/dbraw/zinc/70/04/47/560700447.db2.gz DXGJWKZQNVZBEO-GVDBMIGSSA-N 1 1 357.410 2.201 20 5 FEBDMO Cc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(F)cc1[N+](=O)[O-] ZINC000461736984 560780935 /nfs/dbraw/zinc/78/09/35/560780935.db2.gz YUWVCBMODDCXOQ-UHFFFAOYSA-N 1 1 374.420 2.457 20 5 FEBDMO O=C(COc1c(F)cccc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000463566261 560818855 /nfs/dbraw/zinc/81/88/55/560818855.db2.gz YQFOFNYUDKSOKT-UHFFFAOYSA-N 1 1 373.384 2.457 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467132294 560904375 /nfs/dbraw/zinc/90/43/75/560904375.db2.gz TUROVRONDLNKDJ-CYBMUJFWSA-N 1 1 351.403 2.433 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000468635756 560934554 /nfs/dbraw/zinc/93/45/54/560934554.db2.gz STFNGBWQBIIXGY-JBXOJTMHSA-N 1 1 360.458 2.175 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000468635756 560934555 /nfs/dbraw/zinc/93/45/55/560934555.db2.gz STFNGBWQBIIXGY-JBXOJTMHSA-N 1 1 360.458 2.175 20 5 FEBDMO Cc1cccc(NCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)[nH+]1 ZINC000469580183 560958964 /nfs/dbraw/zinc/95/89/64/560958964.db2.gz HHMCHKVBYXLVPT-UHFFFAOYSA-N 1 1 353.382 2.481 20 5 FEBDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000470619397 560986121 /nfs/dbraw/zinc/98/61/21/560986121.db2.gz DTNLRBHDXXEIBH-XQQFMLRXSA-N 1 1 373.450 2.379 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000470619397 560986122 /nfs/dbraw/zinc/98/61/22/560986122.db2.gz DTNLRBHDXXEIBH-XQQFMLRXSA-N 1 1 373.450 2.379 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC000470755680 560988868 /nfs/dbraw/zinc/98/88/68/560988868.db2.gz KQNWMDXDEXOVAX-UHFFFAOYSA-N 1 1 370.818 2.342 20 5 FEBDMO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473362601 561048407 /nfs/dbraw/zinc/04/84/07/561048407.db2.gz QKZYIRLIAICSFG-NVXWUHKLSA-N 1 1 372.425 2.332 20 5 FEBDMO CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473362601 561048408 /nfs/dbraw/zinc/04/84/08/561048408.db2.gz QKZYIRLIAICSFG-NVXWUHKLSA-N 1 1 372.425 2.332 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000475707730 561102810 /nfs/dbraw/zinc/10/28/10/561102810.db2.gz UHMVGOBZUIZWKX-HNNXBMFYSA-N 1 1 374.397 2.180 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000475707730 561102811 /nfs/dbraw/zinc/10/28/11/561102811.db2.gz UHMVGOBZUIZWKX-HNNXBMFYSA-N 1 1 374.397 2.180 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000475753413 561104341 /nfs/dbraw/zinc/10/43/41/561104341.db2.gz XWBNEPJUVPAGPH-WMZOPIPTSA-N 1 1 350.415 2.227 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000477025048 561134569 /nfs/dbraw/zinc/13/45/69/561134569.db2.gz LRDNDSCWVCDYIJ-AWEZNQCLSA-N 1 1 357.414 2.065 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477065712 561135734 /nfs/dbraw/zinc/13/57/34/561135734.db2.gz JALCLXBTHYWRHS-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000477065712 561135735 /nfs/dbraw/zinc/13/57/35/561135735.db2.gz JALCLXBTHYWRHS-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000530447191 562411548 /nfs/dbraw/zinc/41/15/48/562411548.db2.gz VGNBVYFNLMXRPJ-UHFFFAOYSA-N 1 1 360.366 2.484 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1[N+](=O)[O-] ZINC000530447191 562411549 /nfs/dbraw/zinc/41/15/49/562411549.db2.gz VGNBVYFNLMXRPJ-UHFFFAOYSA-N 1 1 360.366 2.484 20 5 FEBDMO CC(C)OCC[NH+]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000530863059 562426719 /nfs/dbraw/zinc/42/67/19/562426719.db2.gz BKJALIUFVYJPTD-UHFFFAOYSA-N 1 1 365.430 2.004 20 5 FEBDMO O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000531627355 562452125 /nfs/dbraw/zinc/45/21/25/562452125.db2.gz PTYBJBMXXXCIFH-UHFFFAOYSA-N 1 1 356.382 2.117 20 5 FEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000531915465 562461318 /nfs/dbraw/zinc/46/13/18/562461318.db2.gz IFUPIZVDFASEAT-IAGOWNOFSA-N 1 1 362.430 2.037 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000532569260 562481806 /nfs/dbraw/zinc/48/18/06/562481806.db2.gz OMWYTYFFVJBAME-AWEZNQCLSA-N 1 1 357.414 2.140 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000532569260 562481807 /nfs/dbraw/zinc/48/18/07/562481807.db2.gz OMWYTYFFVJBAME-AWEZNQCLSA-N 1 1 357.414 2.140 20 5 FEBDMO O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000533365301 562506641 /nfs/dbraw/zinc/50/66/41/562506641.db2.gz OGHQVCLOQGCVCY-QGZVFWFLSA-N 1 1 373.457 2.045 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000533497933 562510912 /nfs/dbraw/zinc/51/09/12/562510912.db2.gz YSXSIDVYIWQCDQ-CQSZACIVSA-N 1 1 355.460 2.384 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000533498592 562510960 /nfs/dbraw/zinc/51/09/60/562510960.db2.gz XMFQRTFOGJCVEU-CYBMUJFWSA-N 1 1 370.475 2.165 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000541578964 562615791 /nfs/dbraw/zinc/61/57/91/562615791.db2.gz YGYACZIKPOPBPC-UHFFFAOYSA-N 1 1 359.430 2.333 20 5 FEBDMO C[C@@H]1OCC[C@H]1C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000602810377 568041816 /nfs/dbraw/zinc/04/18/16/568041816.db2.gz SZKOLFXBYHFDJX-KBPBESRZSA-N 1 1 359.430 2.408 20 5 FEBDMO Cc1[nH+]ccn1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000737498952 598339771 /nfs/dbraw/zinc/33/97/71/598339771.db2.gz HXAQRLAILKZJIV-CYBMUJFWSA-N 1 1 354.374 2.121 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000810495394 674546853 /nfs/dbraw/zinc/54/68/53/674546853.db2.gz DQNFQXSEHWHBGE-NSHDSACASA-N 1 1 370.837 2.423 20 5 FEBDMO COc1cc(OCC(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000810846729 674564747 /nfs/dbraw/zinc/56/47/47/674564747.db2.gz IKIODMTWVOHYAI-GXTWGEPZSA-N 1 1 350.371 2.152 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000811584039 674615204 /nfs/dbraw/zinc/61/52/04/674615204.db2.gz SHMQNMADQODXGB-JTQLQIEISA-N 1 1 351.432 2.450 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000563754137 674935919 /nfs/dbraw/zinc/93/59/19/674935919.db2.gz ROHRWBRAVOWJCE-CQSZACIVSA-N 1 1 357.476 2.177 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000055400623 670350356 /nfs/dbraw/zinc/35/03/56/670350356.db2.gz PBOGBOHFRJYMRZ-VXGBXAGGSA-N 1 1 350.375 2.353 20 5 FEBDMO C[N@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)C1 ZINC000565220310 675103121 /nfs/dbraw/zinc/10/31/21/675103121.db2.gz DTGSFBITXNBYPY-CYBMUJFWSA-N 1 1 352.410 2.324 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CCc1cccs1 ZINC000817289136 675117953 /nfs/dbraw/zinc/11/79/53/675117953.db2.gz TYRVSWBQRKYXKH-UHFFFAOYSA-N 1 1 369.468 2.109 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(Br)c1 ZINC000093434228 670753165 /nfs/dbraw/zinc/75/31/65/670753165.db2.gz GIZMVFQZTPADJA-MWLCHTKSSA-N 1 1 357.208 2.027 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000574328102 671227382 /nfs/dbraw/zinc/22/73/82/671227382.db2.gz SHXRRAHKAHCWFS-STQMWFEESA-N 1 1 371.459 2.097 20 5 FEBDMO CCOc1cc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000575795005 671321230 /nfs/dbraw/zinc/32/12/30/671321230.db2.gz NNWGGBPLTBEKOJ-GFCCVEGCSA-N 1 1 353.419 2.461 20 5 FEBDMO CS(=O)(=O)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609599706 675928464 /nfs/dbraw/zinc/92/84/64/675928464.db2.gz UIXXHFJQXIVQAM-UHFFFAOYSA-N 1 1 355.441 2.243 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000580980947 671852476 /nfs/dbraw/zinc/85/24/76/671852476.db2.gz JLHZRFZKMIVMJO-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213844 675959762 /nfs/dbraw/zinc/95/97/62/675959762.db2.gz WJYGSDVOTBPONN-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC000610213844 675959765 /nfs/dbraw/zinc/95/97/65/675959765.db2.gz WJYGSDVOTBPONN-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000610134985 675956266 /nfs/dbraw/zinc/95/62/66/675956266.db2.gz ICEHETOULDFPGK-UONOGXRCSA-N 1 1 355.460 2.397 20 5 FEBDMO COCC[N@H+]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000587971919 672443169 /nfs/dbraw/zinc/44/31/69/672443169.db2.gz ICQDJAIRMXRNMU-ZDUSSCGKSA-N 1 1 351.403 2.213 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000590400409 672578788 /nfs/dbraw/zinc/57/87/88/672578788.db2.gz USAMLCQTXZVJBI-CABCVRRESA-N 1 1 353.806 2.183 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000590444955 672583409 /nfs/dbraw/zinc/58/34/09/672583409.db2.gz OLQDDGVOEWUURK-NOZJJQNGSA-N 1 1 354.204 2.133 20 5 FEBDMO COc1cc(CN[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519195 676042219 /nfs/dbraw/zinc/04/22/19/676042219.db2.gz CMRRQXQEXIVKEE-LBPRGKRZSA-N 1 1 359.373 2.431 20 5 FEBDMO COc1cc(CN[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611519195 676042220 /nfs/dbraw/zinc/04/22/20/676042220.db2.gz CMRRQXQEXIVKEE-LBPRGKRZSA-N 1 1 359.373 2.431 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCS[C@H]4COCC[C@H]43)n2)cc1 ZINC000246572138 672839110 /nfs/dbraw/zinc/83/91/10/672839110.db2.gz BUELNWGPKAPYRR-CABCVRRESA-N 1 1 361.427 2.017 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCS[C@H]4COCC[C@H]43)n2)cc1 ZINC000246572138 672839116 /nfs/dbraw/zinc/83/91/16/672839116.db2.gz BUELNWGPKAPYRR-CABCVRRESA-N 1 1 361.427 2.017 20 5 FEBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000249742659 672874245 /nfs/dbraw/zinc/87/42/45/672874245.db2.gz JUVGYWYLSCHONK-VXGBXAGGSA-N 1 1 350.375 2.353 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612483273 676084102 /nfs/dbraw/zinc/08/41/02/676084102.db2.gz NQBZGAGUFPVZAS-CHWSQXEVSA-N 1 1 353.394 2.064 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000594198718 673042939 /nfs/dbraw/zinc/04/29/39/673042939.db2.gz VIZVKSPSZAUUCI-KGLIPLIRSA-N 1 1 351.378 2.489 20 5 FEBDMO CC(C)Oc1nc(NCCC[N@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000594577452 673101396 /nfs/dbraw/zinc/10/13/96/673101396.db2.gz ZZBMNBVLTPPPAL-CQSZACIVSA-N 1 1 352.435 2.690 20 5 FEBDMO CS(=O)(=O)c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594603876 673105635 /nfs/dbraw/zinc/10/56/35/673105635.db2.gz WHHQFMMDBAZFHW-DZGCQCFKSA-N 1 1 353.444 2.427 20 5 FEBDMO CS(=O)(=O)c1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])c1 ZINC000594603876 673105641 /nfs/dbraw/zinc/10/56/41/673105641.db2.gz WHHQFMMDBAZFHW-DZGCQCFKSA-N 1 1 353.444 2.427 20 5 FEBDMO CCS(=O)(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000594993315 673184133 /nfs/dbraw/zinc/18/41/33/673184133.db2.gz NYLFEANVLMQRFW-UHFFFAOYSA-N 1 1 364.370 2.253 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000595009499 673185909 /nfs/dbraw/zinc/18/59/09/673185909.db2.gz ZUJSRAPGFCKWDM-CQSZACIVSA-N 1 1 350.463 2.280 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)CN1CCN(C)CC1 ZINC000595012003 673186418 /nfs/dbraw/zinc/18/64/18/673186418.db2.gz MOBSKWXZMCHRNE-CABCVRRESA-N 1 1 350.463 2.138 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000462504608 673256162 /nfs/dbraw/zinc/25/61/62/673256162.db2.gz UMFBLQQHAVAZOF-GXSJLCMTSA-N 1 1 361.851 2.318 20 5 FEBDMO O=C1C[C@]2(CN1)CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000537616413 673397812 /nfs/dbraw/zinc/39/78/12/673397812.db2.gz NOXJHRYZKGSZCK-INIZCTEOSA-N 1 1 355.341 2.298 20 5 FEBDMO O=C1C[C@]2(CN1)CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000537616413 673397817 /nfs/dbraw/zinc/39/78/17/673397817.db2.gz NOXJHRYZKGSZCK-INIZCTEOSA-N 1 1 355.341 2.298 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+]1CCOCC1 ZINC000735893080 673506475 /nfs/dbraw/zinc/50/64/75/673506475.db2.gz BKEBRVQCXPYACW-CYBMUJFWSA-N 1 1 354.428 2.341 20 5 FEBDMO Nc1c(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000598559860 673583519 /nfs/dbraw/zinc/58/35/19/673583519.db2.gz IVBRZBXBKAONQK-LBPRGKRZSA-N 1 1 350.394 2.168 20 5 FEBDMO COC(=O)c1ccnc(NCCCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000598588792 673587116 /nfs/dbraw/zinc/58/71/16/673587116.db2.gz CNNHKFXKKSTGSB-CYBMUJFWSA-N 1 1 350.419 2.700 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598602259 673588170 /nfs/dbraw/zinc/58/81/70/673588170.db2.gz ILTANDHGYICRAH-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598609124 673589659 /nfs/dbraw/zinc/58/96/59/673589659.db2.gz QSTGVTLSYOUVEC-YPMHNXCESA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598609124 673589663 /nfs/dbraw/zinc/58/96/63/673589663.db2.gz QSTGVTLSYOUVEC-YPMHNXCESA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000543673266 673660558 /nfs/dbraw/zinc/66/05/58/673660558.db2.gz MLWCEKATLYFQAF-TZMCWYRMSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599464715 673678620 /nfs/dbraw/zinc/67/86/20/673678620.db2.gz QZUCGXJQUNNYSU-HNNXBMFYSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000599542823 673689715 /nfs/dbraw/zinc/68/97/15/673689715.db2.gz DOKTTXGSFHBNIB-OAHLLOKOSA-N 1 1 350.415 2.227 20 5 FEBDMO COC(=O)[C@@]1(OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000599564748 673692013 /nfs/dbraw/zinc/69/20/13/673692013.db2.gz WGLVIOHSRIAPPX-QGZVFWFLSA-N 1 1 352.387 2.146 20 5 FEBDMO COC(=O)[C@@]1(OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000599564748 673692015 /nfs/dbraw/zinc/69/20/15/673692015.db2.gz WGLVIOHSRIAPPX-QGZVFWFLSA-N 1 1 352.387 2.146 20 5 FEBDMO Cc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741720662 673695490 /nfs/dbraw/zinc/69/54/90/673695490.db2.gz ISUCSCUCRIMOPU-CABZTGNLSA-N 1 1 350.375 2.332 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601355909 673847086 /nfs/dbraw/zinc/84/70/86/673847086.db2.gz BAJAHIOBTPIOPN-AAEUAGOBSA-N 1 1 359.423 2.003 20 5 FEBDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767100 673910560 /nfs/dbraw/zinc/91/05/60/673910560.db2.gz VSJWRVHYDUISJO-ZFWWWQNUSA-N 1 1 351.451 2.117 20 5 FEBDMO Cc1sc(C(=O)N[C@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cc1[N+](=O)[O-] ZINC000603111504 673917362 /nfs/dbraw/zinc/91/73/62/673917362.db2.gz RAKASADKGPVLQL-UONOGXRCSA-N 1 1 353.444 2.194 20 5 FEBDMO O=C(N1C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1)C(F)(F)F ZINC000824829791 675624216 /nfs/dbraw/zinc/62/42/16/675624216.db2.gz RBCJUBBYELKWOU-STQMWFEESA-N 1 1 357.332 2.437 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000826757951 675704078 /nfs/dbraw/zinc/70/40/78/675704078.db2.gz IJEUUJZBDUMXDB-UHFFFAOYSA-N 1 1 354.382 2.154 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000603640548 675800446 /nfs/dbraw/zinc/80/04/46/675800446.db2.gz YFXKMVVJWSVZLN-UONOGXRCSA-N 1 1 355.460 2.444 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000828959028 675855256 /nfs/dbraw/zinc/85/52/56/675855256.db2.gz KMGXDTXEXGQIGQ-WDEREUQCSA-N 1 1 356.785 2.278 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000616123477 676240159 /nfs/dbraw/zinc/24/01/59/676240159.db2.gz QRLRPLJADNNJFS-UHFFFAOYSA-N 1 1 350.419 2.132 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000616123477 676240162 /nfs/dbraw/zinc/24/01/62/676240162.db2.gz QRLRPLJADNNJFS-UHFFFAOYSA-N 1 1 350.419 2.132 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000618455840 676340394 /nfs/dbraw/zinc/34/03/94/676340394.db2.gz VPZRVJCYDVTQDQ-UKRRQHHQSA-N 1 1 367.833 2.228 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619483809 676379913 /nfs/dbraw/zinc/37/99/13/676379913.db2.gz QTXLNBSPAKGGDT-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO COC(=O)[C@H](C)C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839481700 680755524 /nfs/dbraw/zinc/75/55/24/680755524.db2.gz PEAMLWYMNBTJAO-SNVBAGLBSA-N 1 1 369.805 2.460 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000839481700 680755527 /nfs/dbraw/zinc/75/55/27/680755527.db2.gz PEAMLWYMNBTJAO-SNVBAGLBSA-N 1 1 369.805 2.460 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000839529038 680759557 /nfs/dbraw/zinc/75/95/57/680759557.db2.gz UUOBORCWPWVUCK-GHMZBOCLSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000839529038 680759558 /nfs/dbraw/zinc/75/95/58/680759558.db2.gz UUOBORCWPWVUCK-GHMZBOCLSA-N 1 1 368.821 2.128 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839590754 680764159 /nfs/dbraw/zinc/76/41/59/680764159.db2.gz CZWDAJRUTICMAM-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000839799593 680779939 /nfs/dbraw/zinc/77/99/39/680779939.db2.gz QONOFVJAFIDZEZ-LBPRGKRZSA-N 1 1 350.375 2.273 20 5 FEBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2c(Cl)oc3ccccc32)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139630 680100982 /nfs/dbraw/zinc/10/09/82/680100982.db2.gz IQHFBBHAJJHJTK-BGOOENEXSA-N 1 1 363.801 2.488 20 5 FEBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020138824 680100991 /nfs/dbraw/zinc/10/09/91/680100991.db2.gz BXKHKXJWEYCJRP-HKUMRIAESA-N 1 1 358.225 2.395 20 5 FEBDMO CC(C)(C)c1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)cs1 ZINC000983656525 680318753 /nfs/dbraw/zinc/31/87/53/680318753.db2.gz DKBDMVQOPKHGOJ-HBJVGIJOSA-N 1 1 366.487 2.090 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000996429297 680332410 /nfs/dbraw/zinc/33/24/10/680332410.db2.gz OQBQRLHLTWXBDP-IAQYHMDHSA-N 1 1 355.797 2.225 20 5 FEBDMO Cc1ncc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC3[N+](=O)[O-])cc2)s1 ZINC001034816930 680440145 /nfs/dbraw/zinc/44/01/45/680440145.db2.gz WXVGDLWFZVJUNA-HZPDHXFCSA-N 1 1 360.439 2.023 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000836782886 680513260 /nfs/dbraw/zinc/51/32/60/680513260.db2.gz LIRZAVZFZAOUAT-CYBMUJFWSA-N 1 1 368.865 2.312 20 5 FEBDMO CN(C)C(=O)NCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000757867410 680539204 /nfs/dbraw/zinc/53/92/04/680539204.db2.gz UHKCWVROXJFUKT-UHFFFAOYSA-N 1 1 359.224 2.060 20 5 FEBDMO CN(C)C(=O)NCC[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000757867410 680539207 /nfs/dbraw/zinc/53/92/07/680539207.db2.gz UHKCWVROXJFUKT-UHFFFAOYSA-N 1 1 359.224 2.060 20 5 FEBDMO COc1cc(S(=O)(=O)Nc2ccccc2C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000759150269 680631187 /nfs/dbraw/zinc/63/11/87/680631187.db2.gz WYEDSBAEAZKUPX-UHFFFAOYSA-N 1 1 365.411 2.466 20 5 FEBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841523794 680891453 /nfs/dbraw/zinc/89/14/53/680891453.db2.gz GIIGLPZUYGKACQ-MRVPVSSYSA-N 1 1 368.242 2.132 20 5 FEBDMO COCC[NH+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768219551 680941039 /nfs/dbraw/zinc/94/10/39/680941039.db2.gz JWBVRTQHYLJHID-UHFFFAOYSA-N 1 1 358.236 2.121 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000769706652 680992157 /nfs/dbraw/zinc/99/21/57/680992157.db2.gz CCOFSAKRBKPJFM-UHFFFAOYSA-N 1 1 363.443 2.451 20 5 FEBDMO Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)s1 ZINC001050325573 681045228 /nfs/dbraw/zinc/04/52/28/681045228.db2.gz IBYYQECWOUGVKD-IXYNUQLISA-N 1 1 366.487 2.190 20 5 FEBDMO Cc1[nH+]ccn1CCOC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000772055849 681082175 /nfs/dbraw/zinc/08/21/75/681082175.db2.gz UBOXLFBXFZUHPK-UHFFFAOYSA-N 1 1 355.148 2.114 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000845741591 681149980 /nfs/dbraw/zinc/14/99/80/681149980.db2.gz UBOULGYYWIPJPG-LLVKDONJSA-N 1 1 350.371 2.396 20 5 FEBDMO C[N@H+](CC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@@H]1CCSC1 ZINC000774178004 681171531 /nfs/dbraw/zinc/17/15/31/681171531.db2.gz SVGLOUKVDCHLAD-HZSPNIEDSA-N 1 1 368.459 2.256 20 5 FEBDMO C[N@@H+](CC(=O)O[C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[C@@H]1CCSC1 ZINC000774178004 681171532 /nfs/dbraw/zinc/17/15/32/681171532.db2.gz SVGLOUKVDCHLAD-HZSPNIEDSA-N 1 1 368.459 2.256 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932264552 681209086 /nfs/dbraw/zinc/20/90/86/681209086.db2.gz ZOIQAGSZAYTBON-GFCCVEGCSA-N 1 1 355.822 2.018 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000912714884 685424870 /nfs/dbraw/zinc/42/48/70/685424870.db2.gz IOCUPRLPKDTTEY-LBPRGKRZSA-N 1 1 371.796 2.059 20 5 FEBDMO C[C@H](CNC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000933279321 681385967 /nfs/dbraw/zinc/38/59/67/681385967.db2.gz QTCWYGILLLINEL-CYBMUJFWSA-N 1 1 369.849 2.265 20 5 FEBDMO CN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C)C1 ZINC000933485373 681419767 /nfs/dbraw/zinc/41/97/67/681419767.db2.gz CDUMPCRSLJEOMR-JTQLQIEISA-N 1 1 371.235 2.106 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848509635 681567232 /nfs/dbraw/zinc/56/72/32/681567232.db2.gz LMOMAKKHUOBPST-OLZOCXBDSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848509635 681567235 /nfs/dbraw/zinc/56/72/35/681567235.db2.gz LMOMAKKHUOBPST-OLZOCXBDSA-N 1 1 357.407 2.029 20 5 FEBDMO O=C(N1CC[C@@H]([NH+]2CC=CC2)C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848584474 681583340 /nfs/dbraw/zinc/58/33/40/681583340.db2.gz ZAADMIQOLRSTKY-CYBMUJFWSA-N 1 1 353.325 2.039 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848591092 681585470 /nfs/dbraw/zinc/58/54/70/681585470.db2.gz JSLLZEUPJVYXEF-LBPRGKRZSA-N 1 1 357.357 2.415 20 5 FEBDMO C[N@H+](CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCSC1 ZINC000778778130 681648947 /nfs/dbraw/zinc/64/89/47/681648947.db2.gz WEZWGDLMQXAAMO-CVEARBPZSA-N 1 1 365.455 2.154 20 5 FEBDMO C[N@@H+](CC(=O)O[C@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCSC1 ZINC000778778130 681648951 /nfs/dbraw/zinc/64/89/51/681648951.db2.gz WEZWGDLMQXAAMO-CVEARBPZSA-N 1 1 365.455 2.154 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778888634 681659714 /nfs/dbraw/zinc/65/97/14/681659714.db2.gz XUGRCUBSKHSTPT-UHFFFAOYSA-N 1 1 360.313 2.075 20 5 FEBDMO CCNS(=O)(=O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000779102232 681679791 /nfs/dbraw/zinc/67/97/91/681679791.db2.gz IGYVPVDPFJOXOG-QGZVFWFLSA-N 1 1 363.439 2.213 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1nc2ccc([N+](=O)[O-])cc2s1 ZINC000780601492 681848740 /nfs/dbraw/zinc/84/87/40/681848740.db2.gz WVZUGEXHIVFDHZ-LLVKDONJSA-N 1 1 350.444 2.486 20 5 FEBDMO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783609349 682159222 /nfs/dbraw/zinc/15/92/22/682159222.db2.gz WBVBFCFSCWTRAO-INIZCTEOSA-N 1 1 368.865 2.281 20 5 FEBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783609349 682159225 /nfs/dbraw/zinc/15/92/25/682159225.db2.gz WBVBFCFSCWTRAO-INIZCTEOSA-N 1 1 368.865 2.281 20 5 FEBDMO Cc1noc(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[N+](=O)[O-] ZINC000852005425 682201697 /nfs/dbraw/zinc/20/16/97/682201697.db2.gz SPSAIDAFQCMIOW-TXEJJXNPSA-N 1 1 352.391 2.190 20 5 FEBDMO Cc1noc(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1[N+](=O)[O-] ZINC000852005425 682201700 /nfs/dbraw/zinc/20/17/00/682201700.db2.gz SPSAIDAFQCMIOW-TXEJJXNPSA-N 1 1 352.391 2.190 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000917082688 685529549 /nfs/dbraw/zinc/52/95/49/685529549.db2.gz YAJWSOUFVXFQGL-STQMWFEESA-N 1 1 350.375 2.342 20 5 FEBDMO C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])cc1S(C)(=O)=O)CC2 ZINC000786798997 682406470 /nfs/dbraw/zinc/40/64/70/682406470.db2.gz HDKXZTBDRAFACO-UHFFFAOYSA-N 1 1 353.444 2.063 20 5 FEBDMO O=[N+]([O-])c1cc2cnn(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)c2c(Cl)c1 ZINC000853522698 682427996 /nfs/dbraw/zinc/42/79/96/682427996.db2.gz CHJLTFOCPZAGGC-NSHDSACASA-N 1 1 361.793 2.169 20 5 FEBDMO O=[N+]([O-])c1cc2cnn(C[N@H+]3CC[C@H](Cn4ccnn4)C3)c2c(Cl)c1 ZINC000853522698 682427998 /nfs/dbraw/zinc/42/79/98/682427998.db2.gz CHJLTFOCPZAGGC-NSHDSACASA-N 1 1 361.793 2.169 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)cc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000853966389 682495464 /nfs/dbraw/zinc/49/54/64/682495464.db2.gz UADPINKTWNCMPS-ZDUSSCGKSA-N 1 1 370.247 2.393 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000856282520 682760892 /nfs/dbraw/zinc/76/08/92/682760892.db2.gz DOAFGHFZMYVTLG-UHFFFAOYSA-N 1 1 351.403 2.023 20 5 FEBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000794157522 682941939 /nfs/dbraw/zinc/94/19/39/682941939.db2.gz ISUZCLQGVTXFJT-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000794157522 682941940 /nfs/dbraw/zinc/94/19/40/682941940.db2.gz ISUZCLQGVTXFJT-QWRGUYRKSA-N 1 1 356.810 2.167 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000859276766 683070864 /nfs/dbraw/zinc/07/08/64/683070864.db2.gz OATKAFJMWOOTCD-ZDUSSCGKSA-N 1 1 371.434 2.419 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc([N+](=O)[O-])c1F ZINC000859348167 683089800 /nfs/dbraw/zinc/08/98/00/683089800.db2.gz YATSVUFGDGRUDR-CYBMUJFWSA-N 1 1 371.434 2.338 20 5 FEBDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000859533087 683124295 /nfs/dbraw/zinc/12/42/95/683124295.db2.gz DZGOOGNQYBWCAU-OAHLLOKOSA-N 1 1 353.419 2.475 20 5 FEBDMO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796553014 683170691 /nfs/dbraw/zinc/17/06/91/683170691.db2.gz NOCXTSOKOXWBKH-CVEARBPZSA-N 1 1 351.403 2.181 20 5 FEBDMO Cc1cc(F)cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000928097955 683387799 /nfs/dbraw/zinc/38/77/99/683387799.db2.gz XKETVFLPBJMHFB-KBPBESRZSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1cc(F)cc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000928097955 683387805 /nfs/dbraw/zinc/38/78/05/683387805.db2.gz XKETVFLPBJMHFB-KBPBESRZSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000928434153 683449870 /nfs/dbraw/zinc/44/98/70/683449870.db2.gz HMBSHPOGLRQQGT-RNCFNFMXSA-N 1 1 356.220 2.488 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861823654 683480329 /nfs/dbraw/zinc/48/03/29/683480329.db2.gz AFYPYLFMZOHZRC-GXTWGEPZSA-N 1 1 353.806 2.183 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000862031420 683518962 /nfs/dbraw/zinc/51/89/62/683518962.db2.gz GNBVCBILGCTEFA-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NC2CC([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000862107598 683530764 /nfs/dbraw/zinc/53/07/64/683530764.db2.gz LWTOMLBGHCJLSE-UHFFFAOYSA-N 1 1 353.806 2.150 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000929369382 683585915 /nfs/dbraw/zinc/58/59/15/683585915.db2.gz IHEBSMWYUVCZBX-AWEZNQCLSA-N 1 1 365.821 2.172 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000929369383 683586353 /nfs/dbraw/zinc/58/63/53/683586353.db2.gz IHEBSMWYUVCZBX-CQSZACIVSA-N 1 1 365.821 2.172 20 5 FEBDMO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385731 683712137 /nfs/dbraw/zinc/71/21/37/683712137.db2.gz ABVYJRXAVOJQGC-BDXSIMOUSA-N 1 1 351.422 2.303 20 5 FEBDMO CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385731 683712142 /nfs/dbraw/zinc/71/21/42/683712142.db2.gz ABVYJRXAVOJQGC-BDXSIMOUSA-N 1 1 351.422 2.303 20 5 FEBDMO C[N@@H+](CCCC(C)(F)F)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000930753366 683780365 /nfs/dbraw/zinc/78/03/65/683780365.db2.gz ZPFYEWYCXAJRFS-UHFFFAOYSA-N 1 1 365.402 2.240 20 5 FEBDMO Cn1nc(Br)cc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000865705773 684016917 /nfs/dbraw/zinc/01/69/17/684016917.db2.gz ZROJOXRUTQNTMC-AWEZNQCLSA-N 1 1 369.219 2.088 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000866073314 684068726 /nfs/dbraw/zinc/06/87/26/684068726.db2.gz OJVHSVQZXVUEDA-CMPLNLGQSA-N 1 1 370.247 2.499 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1F ZINC000866866344 684170828 /nfs/dbraw/zinc/17/08/28/684170828.db2.gz NHYPETRKJCPWPK-WCQYABFASA-N 1 1 359.423 2.003 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000931610390 684312842 /nfs/dbraw/zinc/31/28/42/684312842.db2.gz ONWHGMJRCCYXFW-CYBMUJFWSA-N 1 1 352.366 2.109 20 5 FEBDMO C[C@H]1[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000924009055 684387603 /nfs/dbraw/zinc/38/76/03/684387603.db2.gz SLJGGJRLFAHWMM-JOYOIKCWSA-N 1 1 371.235 2.249 20 5 FEBDMO CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000869240360 684596478 /nfs/dbraw/zinc/59/64/78/684596478.db2.gz ZPLVZNSRGZRQBM-GFCCVEGCSA-N 1 1 370.247 2.452 20 5 FEBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872661975 684999834 /nfs/dbraw/zinc/99/98/34/684999834.db2.gz BFLYBVIKWXMROQ-NEPJUHHUSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872661975 684999838 /nfs/dbraw/zinc/99/98/38/684999838.db2.gz BFLYBVIKWXMROQ-NEPJUHHUSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000872662513 684999971 /nfs/dbraw/zinc/99/99/71/684999971.db2.gz FMTOVSYDBOPYGO-NEPJUHHUSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000872662513 684999977 /nfs/dbraw/zinc/99/99/77/684999977.db2.gz FMTOVSYDBOPYGO-NEPJUHHUSA-N 1 1 359.835 2.105 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1C ZINC000872663974 685000450 /nfs/dbraw/zinc/00/04/50/685000450.db2.gz LITBFDRFONRZDQ-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1C ZINC000872663974 685000451 /nfs/dbraw/zinc/00/04/51/685000451.db2.gz LITBFDRFONRZDQ-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c(C)cc1[N+](=O)[O-] ZINC000872665111 685001370 /nfs/dbraw/zinc/00/13/70/685001370.db2.gz OVZHHLKBYKZEDN-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872666611 685001702 /nfs/dbraw/zinc/00/17/02/685001702.db2.gz XALRUJXODZLJHS-STQMWFEESA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872666611 685001703 /nfs/dbraw/zinc/00/17/03/685001703.db2.gz XALRUJXODZLJHS-STQMWFEESA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000877514361 686398002 /nfs/dbraw/zinc/39/80/02/686398002.db2.gz KWPOUOJONLSAIT-AWEZNQCLSA-N 1 1 355.460 2.067 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000877514361 686398010 /nfs/dbraw/zinc/39/80/10/686398010.db2.gz KWPOUOJONLSAIT-AWEZNQCLSA-N 1 1 355.460 2.067 20 5 FEBDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000878614954 686619411 /nfs/dbraw/zinc/61/94/11/686619411.db2.gz HYYKJSKSVPCVHW-CQSZACIVSA-N 1 1 353.423 2.043 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC000879565647 686858265 /nfs/dbraw/zinc/85/82/65/686858265.db2.gz PNUAFXJQQMVYHO-CHWSQXEVSA-N 1 1 356.469 2.053 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC000879565647 686858272 /nfs/dbraw/zinc/85/82/72/686858272.db2.gz PNUAFXJQQMVYHO-CHWSQXEVSA-N 1 1 356.469 2.053 20 5 FEBDMO COCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000879708436 686892680 /nfs/dbraw/zinc/89/26/80/686892680.db2.gz KWKMGGJUMDQRLX-UHFFFAOYSA-N 1 1 371.821 2.314 20 5 FEBDMO CC[N@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1C ZINC000880609958 687066450 /nfs/dbraw/zinc/06/64/50/687066450.db2.gz CKTJKTVIGJVDEU-AOOOYVTPSA-N 1 1 371.235 2.307 20 5 FEBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1C ZINC000880609958 687066454 /nfs/dbraw/zinc/06/64/54/687066454.db2.gz CKTJKTVIGJVDEU-AOOOYVTPSA-N 1 1 371.235 2.307 20 5 FEBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[NH+](CCCO)CC1 ZINC000881873288 687242164 /nfs/dbraw/zinc/24/21/64/687242164.db2.gz ULLJODGLAKJGDJ-UHFFFAOYSA-N 1 1 362.199 2.001 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000882539948 687388972 /nfs/dbraw/zinc/38/89/72/687388972.db2.gz GTTMLFAJQNRZSD-LBPRGKRZSA-N 1 1 353.394 2.432 20 5 FEBDMO CSc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885859078 688170541 /nfs/dbraw/zinc/17/05/41/688170541.db2.gz SXHHITCDUBBFQV-AWEZNQCLSA-N 1 1 365.455 2.300 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885889115 688178962 /nfs/dbraw/zinc/17/89/62/688178962.db2.gz XHYFOBRCDCYSLZ-ZDUSSCGKSA-N 1 1 351.378 2.025 20 5 FEBDMO COCC[N@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000888287071 688577639 /nfs/dbraw/zinc/57/76/39/688577639.db2.gz UBPISWVGJSIBFI-NSHDSACASA-N 1 1 356.810 2.399 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000890079678 688876147 /nfs/dbraw/zinc/87/61/47/688876147.db2.gz IINSJWPUDHBHJB-UHFFFAOYSA-N 1 1 351.403 2.074 20 5 FEBDMO CC[N@H+]1CC[C@H]1CNC(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000893870529 689420798 /nfs/dbraw/zinc/42/07/98/689420798.db2.gz CGMQJDMRDRZSKM-ZDUSSCGKSA-N 1 1 353.444 2.047 20 5 FEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000894407735 689525976 /nfs/dbraw/zinc/52/59/76/689525976.db2.gz BGCRYIYQYUINFN-GHMZBOCLSA-N 1 1 364.320 2.302 20 5 FEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000894407735 689525979 /nfs/dbraw/zinc/52/59/79/689525979.db2.gz BGCRYIYQYUINFN-GHMZBOCLSA-N 1 1 364.320 2.302 20 5 FEBDMO Cc1c(Br)c(N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895248258 689684203 /nfs/dbraw/zinc/68/42/03/689684203.db2.gz ZJGCVMMJMIWGSZ-PWSUYJOCSA-N 1 1 372.267 2.107 20 5 FEBDMO CC(C)Oc1nc(NC[C@@H]2CC[N@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000896523939 689885333 /nfs/dbraw/zinc/88/53/33/689885333.db2.gz CAVKBQUUTIZXLF-AWEZNQCLSA-N 1 1 350.419 2.442 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896547472 689890365 /nfs/dbraw/zinc/89/03/65/689890365.db2.gz BYJSJBIJUZYVNN-IUODEOHRSA-N 1 1 366.487 2.071 20 5 FEBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900049903 690467117 /nfs/dbraw/zinc/46/71/17/690467117.db2.gz SUVXBAGSNACNHQ-MRXNPFEDSA-N 1 1 355.822 2.053 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000900598939 690537086 /nfs/dbraw/zinc/53/70/86/690537086.db2.gz ARFIBDCYZKVGMY-JSGCOSHPSA-N 1 1 371.796 2.059 20 5 FEBDMO O=[N+]([O-])c1ccc(NC(=S)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000905633535 691154469 /nfs/dbraw/zinc/15/44/69/691154469.db2.gz LJMIFYPCGKDAFK-UONOGXRCSA-N 1 1 352.485 2.461 20 5 FEBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000906201357 691241704 /nfs/dbraw/zinc/24/17/04/691241704.db2.gz PDDBWPDCNHGOCP-OCCSQVGLSA-N 1 1 357.382 2.183 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000906201357 691241706 /nfs/dbraw/zinc/24/17/06/691241706.db2.gz PDDBWPDCNHGOCP-OCCSQVGLSA-N 1 1 357.382 2.183 20 5 FEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC001164813102 720073152 /nfs/dbraw/zinc/07/31/52/720073152.db2.gz SMSVRQULBPSWCP-LPHOPBHVSA-N 1 1 360.458 2.483 20 5 FEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1C)C2 ZINC001164813103 720073434 /nfs/dbraw/zinc/07/34/34/720073434.db2.gz SMSVRQULBPSWCP-QFBILLFUSA-N 1 1 360.458 2.483 20 5 FEBDMO Cc1c(C)c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164771721 721149914 /nfs/dbraw/zinc/14/99/14/721149914.db2.gz SRGKFOWIDORSPP-SJORKVTESA-N 1 1 370.457 2.298 20 5 FEBDMO CCOC(=O)c1ccnc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)c1[N+](=O)[O-] ZINC001164774693 721301493 /nfs/dbraw/zinc/30/14/93/721301493.db2.gz HVILASLIVWDIDZ-UHFFFAOYSA-N 1 1 360.414 2.089 20 5 FEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)[C@H]2CCCO[C@@H]12 ZINC001164794235 721527308 /nfs/dbraw/zinc/52/73/08/721527308.db2.gz ADMRXHNTHGNLRD-YQVWRLOYSA-N 1 1 369.425 2.253 20 5 FEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)[C@H]2CCCO[C@@H]12 ZINC001164794235 721527311 /nfs/dbraw/zinc/52/73/11/721527311.db2.gz ADMRXHNTHGNLRD-YQVWRLOYSA-N 1 1 369.425 2.253 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932468 721858460 /nfs/dbraw/zinc/85/84/60/721858460.db2.gz XZSQQONGHBSNNC-ROUUACIJSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932468 721858462 /nfs/dbraw/zinc/85/84/62/721858462.db2.gz XZSQQONGHBSNNC-ROUUACIJSA-N 1 1 355.442 2.358 20 5 FEBDMO CC(C)Oc1nc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000519776442 819055793 /nfs/dbraw/zinc/05/57/93/819055793.db2.gz OWMSUMHIKDYYRT-INIZCTEOSA-N 1 1 365.478 2.461 20 5 FEBDMO CC(C)C[N@@H+]1CCO[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486432999 887751413 /nfs/dbraw/zinc/75/14/13/887751413.db2.gz TVAUTDCJOMMIFX-OAHLLOKOSA-N 1 1 361.402 2.414 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000486432999 887751431 /nfs/dbraw/zinc/75/14/31/887751431.db2.gz TVAUTDCJOMMIFX-OAHLLOKOSA-N 1 1 361.402 2.414 20 5 FEBDMO COc1ccc(OCC[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000018898954 539650037 /nfs/dbraw/zinc/65/00/37/539650037.db2.gz OPQPQUDOWPODAJ-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO COc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000021056843 539679805 /nfs/dbraw/zinc/67/98/05/539679805.db2.gz YRFPQSFWSNSNHZ-CHWSQXEVSA-N 1 1 365.430 2.221 20 5 FEBDMO COc1ccc(OCC[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000027360658 539805468 /nfs/dbraw/zinc/80/54/68/539805468.db2.gz WUADLTWKHRZCIL-UHFFFAOYSA-N 1 1 359.382 2.213 20 5 FEBDMO COc1ccc(OCC[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000027360658 539805470 /nfs/dbraw/zinc/80/54/70/539805470.db2.gz WUADLTWKHRZCIL-UHFFFAOYSA-N 1 1 359.382 2.213 20 5 FEBDMO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)no1 ZINC000030911977 539893650 /nfs/dbraw/zinc/89/36/50/539893650.db2.gz OIGLYPYSYQGNJN-UHFFFAOYSA-N 1 1 359.386 2.042 20 5 FEBDMO CSc1ccc(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1[N+](=O)[O-] ZINC000032268196 539932748 /nfs/dbraw/zinc/93/27/48/539932748.db2.gz OAWPCXBWZQXMLV-AWEZNQCLSA-N 1 1 367.471 2.403 20 5 FEBDMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000032355277 539934762 /nfs/dbraw/zinc/93/47/62/539934762.db2.gz JNNQKJSEPOZEDI-UHFFFAOYSA-N 1 1 365.393 2.259 20 5 FEBDMO Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000045292630 540209173 /nfs/dbraw/zinc/20/91/73/540209173.db2.gz BHMYNLOTPAESBK-KRWDZBQOSA-N 1 1 371.437 2.465 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227745 540297476 /nfs/dbraw/zinc/29/74/76/540297476.db2.gz IZMHFQSLAQDKMF-UHFFFAOYSA-N 1 1 369.421 2.286 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)c1 ZINC000047743997 540327161 /nfs/dbraw/zinc/32/71/61/540327161.db2.gz JRTQOKVFLPTFGL-GOSISDBHSA-N 1 1 357.410 2.157 20 5 FEBDMO COc1cc(C[NH+]2CCC(NC(C)=O)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000050991544 540418231 /nfs/dbraw/zinc/41/82/31/540418231.db2.gz QIBOLPQENIIVEX-UHFFFAOYSA-N 1 1 373.356 2.305 20 5 FEBDMO CCOC(=O)N[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000052870053 540496281 /nfs/dbraw/zinc/49/62/81/540496281.db2.gz NFNIEOLVFQORBG-ZDUSSCGKSA-N 1 1 364.402 2.134 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053887304 540558693 /nfs/dbraw/zinc/55/86/93/540558693.db2.gz ZIBNWEIZULBUTG-SNVBAGLBSA-N 1 1 373.356 2.419 20 5 FEBDMO CN1CC[NH+](Cc2ccc(C(=O)NCc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000054101071 540569068 /nfs/dbraw/zinc/56/90/68/540569068.db2.gz YZIFICVKIYWHSK-UHFFFAOYSA-N 1 1 368.437 2.272 20 5 FEBDMO CN1CC[NH+](CCCNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000055194119 540634220 /nfs/dbraw/zinc/63/42/20/540634220.db2.gz YNPMHVZUYBQVCA-UHFFFAOYSA-N 1 1 362.474 2.260 20 5 FEBDMO Cc1cc(NCCC[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000057824861 540817306 /nfs/dbraw/zinc/81/73/06/540817306.db2.gz RTMULGXIZUZDLI-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000063489968 541170392 /nfs/dbraw/zinc/17/03/92/541170392.db2.gz JGXDQLFENJVVDW-AWEZNQCLSA-N 1 1 357.414 2.241 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cnc3cc4ccccc4cc3c2=O)C[C@H](C)O1 ZINC000065172271 541227990 /nfs/dbraw/zinc/22/79/90/541227990.db2.gz BAPQCSUNRZNMRW-RVKKMQEKSA-N 1 1 367.449 2.020 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cnc3cc4ccccc4cc3c2=O)C[C@H](C)O1 ZINC000065172271 541227992 /nfs/dbraw/zinc/22/79/92/541227992.db2.gz BAPQCSUNRZNMRW-RVKKMQEKSA-N 1 1 367.449 2.020 20 5 FEBDMO CNS(=O)(=O)c1ccc(N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000065586743 541246854 /nfs/dbraw/zinc/24/68/54/541246854.db2.gz FHEOGOUHEBVLSS-OLZOCXBDSA-N 1 1 370.475 2.035 20 5 FEBDMO CCC[N@@H+]1Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C1 ZINC000066514083 541330716 /nfs/dbraw/zinc/33/07/16/541330716.db2.gz RFMMYOVAOYUKAL-UHFFFAOYSA-N 1 1 356.382 2.121 20 5 FEBDMO CCC[N@H+]1Cc2cccc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C1 ZINC000066514083 541330719 /nfs/dbraw/zinc/33/07/19/541330719.db2.gz RFMMYOVAOYUKAL-UHFFFAOYSA-N 1 1 356.382 2.121 20 5 FEBDMO Cc1sc(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000068095587 541547951 /nfs/dbraw/zinc/54/79/51/541547951.db2.gz ZXAXYUXHQICSAI-LLVKDONJSA-N 1 1 353.444 2.290 20 5 FEBDMO Cc1c(Br)c(NCc2c[nH+]c(N(C)C)n2C)ncc1[N+](=O)[O-] ZINC000543438077 541592068 /nfs/dbraw/zinc/59/20/68/541592068.db2.gz HZZBOYRJOOUZDC-UHFFFAOYSA-N 1 1 369.223 2.472 20 5 FEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069295843 541675594 /nfs/dbraw/zinc/67/55/94/541675594.db2.gz NGWBAYOHPIHKNB-AWEZNQCLSA-N 1 1 350.419 2.005 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000069469982 541687909 /nfs/dbraw/zinc/68/79/09/541687909.db2.gz LEVQXUYVUOOIPC-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO COCCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])c(C)c1Br ZINC000544394609 541763913 /nfs/dbraw/zinc/76/39/13/541763913.db2.gz LRYGSGYKBLPNIV-UHFFFAOYSA-N 1 1 361.240 2.441 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000074391216 542078538 /nfs/dbraw/zinc/07/85/38/542078538.db2.gz LACFPDMTNZGOGC-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO CC(=O)NCC[N@@H+](Cc1ccsc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801558944 674135226 /nfs/dbraw/zinc/13/52/26/674135226.db2.gz ZDXJVSMUSMFZHV-QGZVFWFLSA-N 1 1 363.439 2.328 20 5 FEBDMO CC(=O)NCC[N@H+](Cc1ccsc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801558944 674135232 /nfs/dbraw/zinc/13/52/32/674135232.db2.gz ZDXJVSMUSMFZHV-QGZVFWFLSA-N 1 1 363.439 2.328 20 5 FEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078097396 542441240 /nfs/dbraw/zinc/44/12/40/542441240.db2.gz IBIMCDKOFIVFIZ-SFHVURJKSA-N 1 1 355.394 2.112 20 5 FEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078097396 542441243 /nfs/dbraw/zinc/44/12/43/542441243.db2.gz IBIMCDKOFIVFIZ-SFHVURJKSA-N 1 1 355.394 2.112 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081128377 542635476 /nfs/dbraw/zinc/63/54/76/542635476.db2.gz SGVSSJNIAJWCMC-KRWDZBQOSA-N 1 1 371.441 2.223 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(c3nnc[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000083444049 542697215 /nfs/dbraw/zinc/69/72/15/542697215.db2.gz SGRVMWKVNMHBAT-LBPRGKRZSA-N 1 1 358.402 2.228 20 5 FEBDMO Cc1ccc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000089962114 542778946 /nfs/dbraw/zinc/77/89/46/542778946.db2.gz HDLYIASZLDHPHI-ROUUACIJSA-N 1 1 369.421 2.268 20 5 FEBDMO CC[N@@H+](C)CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl ZINC000091461500 542809195 /nfs/dbraw/zinc/80/91/95/542809195.db2.gz PZVHDGHJYYJCSN-UHFFFAOYSA-N 1 1 351.794 2.158 20 5 FEBDMO Cn1cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092588315 542873933 /nfs/dbraw/zinc/87/39/33/542873933.db2.gz PRBKNCVDAJCDLG-MRXNPFEDSA-N 1 1 357.414 2.225 20 5 FEBDMO CN(C)c1nc(N2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000093562698 542933802 /nfs/dbraw/zinc/93/38/02/542933802.db2.gz AWWNMNWVQBEAMO-FNORWQNLSA-N 1 1 368.441 2.286 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000093608077 542934454 /nfs/dbraw/zinc/93/44/54/542934454.db2.gz RTXAWOUHBBWCHU-UHFFFAOYSA-N 1 1 365.393 2.429 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093808450 542941514 /nfs/dbraw/zinc/94/15/14/542941514.db2.gz ITRVUINKZOTQKS-ZDUSSCGKSA-N 1 1 357.414 2.083 20 5 FEBDMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000097403082 543011531 /nfs/dbraw/zinc/01/15/31/543011531.db2.gz GIWRBPIISWWSJS-UHFFFAOYSA-N 1 1 361.423 2.419 20 5 FEBDMO C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000103491675 543111941 /nfs/dbraw/zinc/11/19/41/543111941.db2.gz OJCKSNUKNONQJG-INIZCTEOSA-N 1 1 374.485 2.202 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCC1 ZINC000104755279 543142313 /nfs/dbraw/zinc/14/23/13/543142313.db2.gz LZXAVTKFUHTQKF-UHFFFAOYSA-N 1 1 361.851 2.401 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000104755785 543142587 /nfs/dbraw/zinc/14/25/87/543142587.db2.gz XWIHOZNZADSVDN-UHFFFAOYSA-N 1 1 361.851 2.401 20 5 FEBDMO C[C@@H](O)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000104684194 543137712 /nfs/dbraw/zinc/13/77/12/543137712.db2.gz GHGDALRCBGHDBT-CQSZACIVSA-N 1 1 361.442 2.499 20 5 FEBDMO COc1ccnc(N2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000104720452 543139215 /nfs/dbraw/zinc/13/92/15/543139215.db2.gz OANLUVNYXAAGLJ-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO COc1cc[nH+]c(N2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000104720452 543139217 /nfs/dbraw/zinc/13/92/17/543139217.db2.gz OANLUVNYXAAGLJ-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)CC1 ZINC000106478841 543231467 /nfs/dbraw/zinc/23/14/67/543231467.db2.gz HLXAMIQVSAXPLA-HNNXBMFYSA-N 1 1 355.442 2.359 20 5 FEBDMO CCN1CCN([C@H]2CC[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107369284 543268241 /nfs/dbraw/zinc/26/82/41/543268241.db2.gz GSXIQYPUSKMCBF-SFHVURJKSA-N 1 1 362.474 2.076 20 5 FEBDMO CCN1CCN([C@H]2CC[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000107369284 543268243 /nfs/dbraw/zinc/26/82/43/543268243.db2.gz GSXIQYPUSKMCBF-SFHVURJKSA-N 1 1 362.474 2.076 20 5 FEBDMO CCC[NH+]1CCC(N(C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000109787017 543339411 /nfs/dbraw/zinc/33/94/11/543339411.db2.gz LOPWBJQUTLKVKB-QGZVFWFLSA-N 1 1 351.447 2.141 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109987174 543346074 /nfs/dbraw/zinc/34/60/74/543346074.db2.gz IKLDQANEDPJOKK-QWHCGFSZSA-N 1 1 372.425 2.287 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000110223630 543352351 /nfs/dbraw/zinc/35/23/51/543352351.db2.gz HBIYGGXEHLKGOO-HNNXBMFYSA-N 1 1 363.462 2.403 20 5 FEBDMO CNC(=O)c1ccc(N2CCC(Cc3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1 ZINC000110581130 543361665 /nfs/dbraw/zinc/36/16/65/543361665.db2.gz ITTKWNKWCCEBSE-UHFFFAOYSA-N 1 1 357.414 2.147 20 5 FEBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000110974744 543376736 /nfs/dbraw/zinc/37/67/36/543376736.db2.gz HQLHMFMOOPGAJT-AWEZNQCLSA-N 1 1 351.451 2.117 20 5 FEBDMO Cc1nn(C)c(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1[N+](=O)[O-] ZINC000110870838 543370867 /nfs/dbraw/zinc/37/08/67/543370867.db2.gz AECAIOPTVQOADM-UHFFFAOYSA-N 1 1 359.430 2.407 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247466271 549337243 /nfs/dbraw/zinc/33/72/43/549337243.db2.gz RLNNCOWAIOLFLD-BLLLJJGKSA-N 1 1 363.414 2.184 20 5 FEBDMO CCOc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000115433017 543566708 /nfs/dbraw/zinc/56/67/08/543566708.db2.gz OTEGSMULDOSHDB-ZDUSSCGKSA-N 1 1 365.430 2.416 20 5 FEBDMO Cc1ccc(NCCCNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000120302942 543678059 /nfs/dbraw/zinc/67/80/59/543678059.db2.gz UPCLJWAGKDYYPJ-HNNXBMFYSA-N 1 1 363.462 2.346 20 5 FEBDMO C[N@H+](CCCn1ccnc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124259784 543810343 /nfs/dbraw/zinc/81/03/43/543810343.db2.gz DRAWZODWUFUXBL-UHFFFAOYSA-N 1 1 351.794 2.405 20 5 FEBDMO C[N@@H+](CCCn1ccnc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000124259784 543810346 /nfs/dbraw/zinc/81/03/46/543810346.db2.gz DRAWZODWUFUXBL-UHFFFAOYSA-N 1 1 351.794 2.405 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000125498972 543884907 /nfs/dbraw/zinc/88/49/07/543884907.db2.gz XQZBNEQNCNIYLV-NEPJUHHUSA-N 1 1 373.862 2.414 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1 ZINC000125575717 543889842 /nfs/dbraw/zinc/88/98/42/543889842.db2.gz PCVDOYUCAHBFPL-LLVKDONJSA-N 1 1 350.394 2.405 20 5 FEBDMO CCCNC(=O)C[N@@H+](CCC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128324842 544046287 /nfs/dbraw/zinc/04/62/87/544046287.db2.gz JILXHBURDGKBNF-UHFFFAOYSA-N 1 1 368.409 2.301 20 5 FEBDMO CCC(=O)N1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000128340512 544047181 /nfs/dbraw/zinc/04/71/81/544047181.db2.gz LCELENCPQZJNOK-UHFFFAOYSA-N 1 1 366.393 2.007 20 5 FEBDMO Cc1ccc(CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000129287966 544103238 /nfs/dbraw/zinc/10/32/38/544103238.db2.gz RTZHQKDMKYMCJS-UHFFFAOYSA-N 1 1 360.458 2.033 20 5 FEBDMO Cc1ccc(CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000129287966 544103240 /nfs/dbraw/zinc/10/32/40/544103240.db2.gz RTZHQKDMKYMCJS-UHFFFAOYSA-N 1 1 360.458 2.033 20 5 FEBDMO CS(=O)(=O)N1CCC[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130871663 544168474 /nfs/dbraw/zinc/16/84/74/544168474.db2.gz OAICKXCNOWREJV-OAHLLOKOSA-N 1 1 367.471 2.231 20 5 FEBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000131964332 544213561 /nfs/dbraw/zinc/21/35/61/544213561.db2.gz VRDHAHBGKBJOTD-LLVKDONJSA-N 1 1 371.426 2.232 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000134050447 544292615 /nfs/dbraw/zinc/29/26/15/544292615.db2.gz VCMCMVURWJLJHJ-AWEZNQCLSA-N 1 1 360.414 2.043 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134206812 544299060 /nfs/dbraw/zinc/29/90/60/544299060.db2.gz OPPPYHPMGYKXEN-AWEZNQCLSA-N 1 1 355.822 2.215 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000135044515 544331986 /nfs/dbraw/zinc/33/19/86/544331986.db2.gz VIDLZFORMYNILK-WBVHZDCISA-N 1 1 371.441 2.160 20 5 FEBDMO CC[C@@]1(C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000135741899 544360257 /nfs/dbraw/zinc/36/02/57/544360257.db2.gz GEXVFCMKZTVGJR-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000143433767 544422232 /nfs/dbraw/zinc/42/22/32/544422232.db2.gz GWLRUFCIIWTSTE-UHFFFAOYSA-N 1 1 368.437 2.076 20 5 FEBDMO COc1cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000150821768 544475714 /nfs/dbraw/zinc/47/57/14/544475714.db2.gz AMLXQMRAKVEKCC-CYBMUJFWSA-N 1 1 371.459 2.098 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000153294909 544757519 /nfs/dbraw/zinc/75/75/19/544757519.db2.gz DAPQQWSLORXHGD-CHWSQXEVSA-N 1 1 351.403 2.167 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)COC2CCOCC2)C2CC2)c1 ZINC000153305944 544758540 /nfs/dbraw/zinc/75/85/40/544758540.db2.gz VNDCCUTWXZHZLH-KRWDZBQOSA-N 1 1 350.415 2.116 20 5 FEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154162111 544871762 /nfs/dbraw/zinc/87/17/62/544871762.db2.gz GCADPCNPLAQSJJ-ZFWWWQNUSA-N 1 1 351.403 2.227 20 5 FEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154162111 544871764 /nfs/dbraw/zinc/87/17/64/544871764.db2.gz GCADPCNPLAQSJJ-ZFWWWQNUSA-N 1 1 351.403 2.227 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000803493085 674245907 /nfs/dbraw/zinc/24/59/07/674245907.db2.gz JDWLBMFJZKXXQS-DOMZBBRYSA-N 1 1 351.403 2.360 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1CNCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000183647543 327828350 /nfs/dbraw/zinc/82/83/50/327828350.db2.gz OGBAMULCXUGQGM-UHFFFAOYSA-N 1 1 370.453 2.484 20 5 FEBDMO Cc1ccc(N2CC[NH+](CCCO)CC2)c([N+](=O)[O-])c1Br ZINC000804399473 674285098 /nfs/dbraw/zinc/28/50/98/674285098.db2.gz TXDPLTOMZNYOEO-UHFFFAOYSA-N 1 1 358.236 2.170 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000187460704 328027441 /nfs/dbraw/zinc/02/74/41/328027441.db2.gz AJJDXLVMAIRVQP-INIZCTEOSA-N 1 1 371.441 2.277 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@]2(CC)CO)c([N+](=O)[O-])c1 ZINC000189620856 328158553 /nfs/dbraw/zinc/15/85/53/328158553.db2.gz GLEWZAVRUAZSAB-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@]2(CC)CO)c([N+](=O)[O-])c1 ZINC000189620856 328158554 /nfs/dbraw/zinc/15/85/54/328158554.db2.gz GLEWZAVRUAZSAB-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO O=C(CCCC[NH+]1CCOCC1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000189891685 328174416 /nfs/dbraw/zinc/17/44/16/328174416.db2.gz OOXBPAUJQZXCKV-UHFFFAOYSA-N 1 1 373.413 2.426 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000191650264 328275945 /nfs/dbraw/zinc/27/59/45/328275945.db2.gz VTMFDACEFPSTGL-CQSZACIVSA-N 1 1 359.430 2.452 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000191975615 328291393 /nfs/dbraw/zinc/29/13/93/328291393.db2.gz RNCVIKSNHOKDSQ-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000193997131 328405930 /nfs/dbraw/zinc/40/59/30/328405930.db2.gz SHQNXZDREGGXIF-JKSUJKDBSA-N 1 1 365.386 2.255 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000080254688 325125545 /nfs/dbraw/zinc/12/55/45/325125545.db2.gz QMLMETMOPSDUPB-LBPRGKRZSA-N 1 1 368.397 2.471 20 5 FEBDMO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097449 325159399 /nfs/dbraw/zinc/15/93/99/325159399.db2.gz QWNUONJIFQVPQF-HOTGVXAUSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000081097449 325159401 /nfs/dbraw/zinc/15/94/01/325159401.db2.gz QWNUONJIFQVPQF-HOTGVXAUSA-N 1 1 356.444 2.261 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000081096326 325159517 /nfs/dbraw/zinc/15/95/17/325159517.db2.gz UWFYOGDQETUCJM-CJNGLKHVSA-N 1 1 364.446 2.204 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087322103 325279089 /nfs/dbraw/zinc/27/90/89/325279089.db2.gz BEVLSDHUBOTDSY-IBGZPJMESA-N 1 1 374.485 2.156 20 5 FEBDMO NC(=O)c1ccc(NC(=O)CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC000088607456 325298741 /nfs/dbraw/zinc/29/87/41/325298741.db2.gz MBZYYVFUYGZXLB-UHFFFAOYSA-N 1 1 368.393 2.081 20 5 FEBDMO CCS(=O)(=O)N(C)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093320970 325442644 /nfs/dbraw/zinc/44/26/44/325442644.db2.gz BISBBXXSURWFMX-UHFFFAOYSA-N 1 1 355.460 2.149 20 5 FEBDMO [NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000238055299 328539519 /nfs/dbraw/zinc/53/95/19/328539519.db2.gz MYUWRXTYIJDGID-OIBJUYFYSA-N 1 1 368.242 2.307 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118125923 326084048 /nfs/dbraw/zinc/08/40/48/326084048.db2.gz LOEZKJDPZPEFEY-LBPRGKRZSA-N 1 1 368.821 2.177 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000119075754 326124864 /nfs/dbraw/zinc/12/48/64/326124864.db2.gz TZAIMDQUKLWLMA-UHFFFAOYSA-N 1 1 372.834 2.464 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000119997186 326220313 /nfs/dbraw/zinc/22/03/13/326220313.db2.gz ILPJEJXKXUUBSI-MQVJKMGUSA-N 1 1 369.425 2.254 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120112734 326231328 /nfs/dbraw/zinc/23/13/28/326231328.db2.gz OSHYELLGBDBXCB-CYBMUJFWSA-N 1 1 363.462 2.217 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C[C@H](C)O1 ZINC000121354537 326332082 /nfs/dbraw/zinc/33/20/82/326332082.db2.gz FIKVMFOQROVYPD-OKILXGFUSA-N 1 1 372.425 2.372 20 5 FEBDMO COc1cc(C[N@H+](CCC(N)=O)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000122105438 326384118 /nfs/dbraw/zinc/38/41/18/326384118.db2.gz KMQUCXBXNFBSDO-UHFFFAOYSA-N 1 1 373.409 2.490 20 5 FEBDMO COc1cc(C[N@@H+](CCC(N)=O)Cc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000122105438 326384119 /nfs/dbraw/zinc/38/41/19/326384119.db2.gz KMQUCXBXNFBSDO-UHFFFAOYSA-N 1 1 373.409 2.490 20 5 FEBDMO CCC1(CO)CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000128270428 326520856 /nfs/dbraw/zinc/52/08/56/326520856.db2.gz HFGHFGCRQOKCQL-ZDUSSCGKSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000130721932 326561991 /nfs/dbraw/zinc/56/19/91/326561991.db2.gz KCHJMJPEUQCYGH-UHFFFAOYSA-N 1 1 368.397 2.448 20 5 FEBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000137046562 326657657 /nfs/dbraw/zinc/65/76/57/326657657.db2.gz YLVHFNCEAZCBDS-ZDUSSCGKSA-N 1 1 367.833 2.433 20 5 FEBDMO O=c1[nH]cnc2cc(N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c([N+](=O)[O-])cc21 ZINC000161935930 327012875 /nfs/dbraw/zinc/01/28/75/327012875.db2.gz SVPORBXAIBOZTG-MLGOLLRUSA-N 1 1 369.425 2.284 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000163653026 327056185 /nfs/dbraw/zinc/05/61/85/327056185.db2.gz AQDWTKOCCOWHMC-CQSZACIVSA-N 1 1 351.451 2.011 20 5 FEBDMO Cc1ccc([C@@H](C)NC(=O)N2CCC([N@@H+](C)CCO)CC2)cc1[N+](=O)[O-] ZINC000164055609 327063992 /nfs/dbraw/zinc/06/39/92/327063992.db2.gz LUYLKOMNCDXEOV-CQSZACIVSA-N 1 1 364.446 2.062 20 5 FEBDMO O=C(CN1CCC[N@H+](C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000172347393 327197277 /nfs/dbraw/zinc/19/72/77/327197277.db2.gz PLTWOLINSCCWNU-UHFFFAOYSA-N 1 1 352.822 2.357 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)C1 ZINC000173264335 327245184 /nfs/dbraw/zinc/24/51/84/327245184.db2.gz JCGJSLVKYNZFPP-DGCLKSJQSA-N 1 1 359.423 2.085 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000173271764 327245556 /nfs/dbraw/zinc/24/55/56/327245556.db2.gz PUSHEBDUYNYXON-OCCSQVGLSA-N 1 1 355.460 2.315 20 5 FEBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173277668 327246273 /nfs/dbraw/zinc/24/62/73/327246273.db2.gz PZYIRHAYDQFOOP-ZYHUDNBSSA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000173286799 327247063 /nfs/dbraw/zinc/24/70/63/327247063.db2.gz VRVRPHLPARVROT-KRWDZBQOSA-N 1 1 360.458 2.145 20 5 FEBDMO COc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000173669937 327275539 /nfs/dbraw/zinc/27/55/39/327275539.db2.gz KGRGERXCAWANCY-CYBMUJFWSA-N 1 1 371.459 2.098 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000173799212 327285047 /nfs/dbraw/zinc/28/50/47/327285047.db2.gz UPIOSNGRBTZFIO-ZDUSSCGKSA-N 1 1 372.425 2.240 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000173829254 327287197 /nfs/dbraw/zinc/28/71/97/327287197.db2.gz INVPGAXPUYAYOQ-LSDHHAIUSA-N 1 1 367.471 2.459 20 5 FEBDMO CC1CCC([N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]2CCCO2)CC1 ZINC000173866668 327289862 /nfs/dbraw/zinc/28/98/62/327289862.db2.gz JBGMIQSOGDAPFR-MUDYYLEHSA-N 1 1 366.462 2.212 20 5 FEBDMO CC[N@H+](C)C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917384 327294370 /nfs/dbraw/zinc/29/43/70/327294370.db2.gz OIZHCMDILBGMCO-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917384 327294371 /nfs/dbraw/zinc/29/43/71/327294371.db2.gz OIZHCMDILBGMCO-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000174540249 327333310 /nfs/dbraw/zinc/33/33/10/327333310.db2.gz KLVWYLFXROKYED-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO CN1CCN([C@@H]2CCCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174875435 327357104 /nfs/dbraw/zinc/35/71/04/327357104.db2.gz PSADJZOEOWOLQU-QGZVFWFLSA-N 1 1 362.474 2.076 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1[N+](=O)[O-] ZINC000261926881 328829877 /nfs/dbraw/zinc/82/98/77/328829877.db2.gz JDYIWYDYXZAJST-CYBMUJFWSA-N 1 1 363.805 2.077 20 5 FEBDMO CCCc1n[nH]c(C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000264617565 329041210 /nfs/dbraw/zinc/04/12/10/329041210.db2.gz RKERTYWCJFDKTO-ZDUSSCGKSA-N 1 1 371.441 2.447 20 5 FEBDMO CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000265476645 329130995 /nfs/dbraw/zinc/13/09/95/329130995.db2.gz FRYYOAWHBRWBCT-SNVBAGLBSA-N 1 1 355.416 2.335 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000265736755 329155214 /nfs/dbraw/zinc/15/52/14/329155214.db2.gz LZYZTHLLHWHLAI-MRXNPFEDSA-N 1 1 364.446 2.236 20 5 FEBDMO CC(C)(CNc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[NH+]1CCOCC1 ZINC000266117439 329191847 /nfs/dbraw/zinc/19/18/47/329191847.db2.gz LQYKRDIKXDWJHV-UHFFFAOYSA-N 1 1 364.402 2.074 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000268262635 329402743 /nfs/dbraw/zinc/40/27/43/329402743.db2.gz ZOMGZQFRLHUFLU-UHFFFAOYSA-N 1 1 368.409 2.145 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273652576 329881902 /nfs/dbraw/zinc/88/19/02/329881902.db2.gz WLUXXIPMAWJMOM-VIFPVBQESA-N 1 1 365.415 2.443 20 5 FEBDMO COCC[N@@H+](C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291404388 330190590 /nfs/dbraw/zinc/19/05/90/330190590.db2.gz BOINUZQCMKWLPT-UHFFFAOYSA-N 1 1 350.202 2.210 20 5 FEBDMO C[C@@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000367206630 330230035 /nfs/dbraw/zinc/23/00/35/330230035.db2.gz RWGKKBAEFMYYRY-IBGZPJMESA-N 1 1 371.441 2.210 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000369329542 330240163 /nfs/dbraw/zinc/24/01/63/330240163.db2.gz HURHDISSIUCEOM-YJBOKZPZSA-N 1 1 369.425 2.218 20 5 FEBDMO Cn1cc([C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000377929941 330252228 /nfs/dbraw/zinc/25/22/28/330252228.db2.gz BBCVCFHXFMVRBD-GDBMZVCRSA-N 1 1 369.425 2.133 20 5 FEBDMO COCCO[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000555342100 674357607 /nfs/dbraw/zinc/35/76/07/674357607.db2.gz ZPSFNRUCBUWPAQ-AWEZNQCLSA-N 1 1 354.403 2.239 20 5 FEBDMO COCCO[C@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000555342100 674357611 /nfs/dbraw/zinc/35/76/11/674357611.db2.gz ZPSFNRUCBUWPAQ-AWEZNQCLSA-N 1 1 354.403 2.239 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155479948 545531054 /nfs/dbraw/zinc/53/10/54/545531054.db2.gz QWZRTPXDVKDNKI-CXAGYDPISA-N 1 1 363.414 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155479948 545531056 /nfs/dbraw/zinc/53/10/56/545531056.db2.gz QWZRTPXDVKDNKI-CXAGYDPISA-N 1 1 363.414 2.433 20 5 FEBDMO CCO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000156005815 545592002 /nfs/dbraw/zinc/59/20/02/545592002.db2.gz PXQRQWPUPVRARX-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(Cn4ccnn4)CC3)n2)c1 ZINC000156080226 545597611 /nfs/dbraw/zinc/59/76/11/545597611.db2.gz VMACANMBBKNDRN-UHFFFAOYSA-N 1 1 369.385 2.149 20 5 FEBDMO CC[N@@H+](CCc1nccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000159182260 545929386 /nfs/dbraw/zinc/92/93/86/545929386.db2.gz OBECQRSJPNIHGM-AWEZNQCLSA-N 1 1 351.428 2.356 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000159200899 545930865 /nfs/dbraw/zinc/93/08/65/545930865.db2.gz TWXYDAHHWNZDMD-GOSISDBHSA-N 1 1 369.421 2.052 20 5 FEBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000478401572 561165969 /nfs/dbraw/zinc/16/59/69/561165969.db2.gz RBCSEPVZKCLPPJ-ZWKOTPCHSA-N 1 1 355.394 2.188 20 5 FEBDMO CCC(=O)c1ccc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC000479965305 561200399 /nfs/dbraw/zinc/20/03/99/561200399.db2.gz PSFSWTZZXBKJCR-CQSZACIVSA-N 1 1 362.430 2.187 20 5 FEBDMO CC[C@@H](C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000176247810 546423889 /nfs/dbraw/zinc/42/38/89/546423889.db2.gz WLXKLTSPJBETLC-CYBMUJFWSA-N 1 1 370.413 2.329 20 5 FEBDMO CC[C@@H](C)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000176247810 546423892 /nfs/dbraw/zinc/42/38/92/546423892.db2.gz WLXKLTSPJBETLC-CYBMUJFWSA-N 1 1 370.413 2.329 20 5 FEBDMO CCOC[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000176310464 546430082 /nfs/dbraw/zinc/43/00/82/546430082.db2.gz CTTMQBXOYAZDJU-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CC(C)[N@H+]1CCCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000480465014 561209791 /nfs/dbraw/zinc/20/97/91/561209791.db2.gz WOARHVOVFGRZKZ-UHFFFAOYSA-N 1 1 371.441 2.480 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000176668145 546474880 /nfs/dbraw/zinc/47/48/80/546474880.db2.gz OLBLZSUTQBKYOL-LLVKDONJSA-N 1 1 373.862 2.319 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000177777112 546684153 /nfs/dbraw/zinc/68/41/53/546684153.db2.gz BDCDRGLEYCXZFL-AEFFLSMTSA-N 1 1 369.425 2.479 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000481851040 561244025 /nfs/dbraw/zinc/24/40/25/561244025.db2.gz HQKWWQVCLZIASO-RDJZCZTQSA-N 1 1 354.410 2.221 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179363818 546940072 /nfs/dbraw/zinc/94/00/72/546940072.db2.gz BOXNRCNNCHZUKY-INIZCTEOSA-N 1 1 374.441 2.092 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)C[C@H]2CO)ccc1Oc1ccc(F)cc1 ZINC000482506224 561255084 /nfs/dbraw/zinc/25/50/84/561255084.db2.gz INSKJAHIKKUHQU-GJZGRUSLSA-N 1 1 362.357 2.454 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)ccc1Oc1ccc(F)cc1 ZINC000482506224 561255085 /nfs/dbraw/zinc/25/50/85/561255085.db2.gz INSKJAHIKKUHQU-GJZGRUSLSA-N 1 1 362.357 2.454 20 5 FEBDMO Cc1c([C@H](C)NC2CC[NH+](CCC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000482853421 561261475 /nfs/dbraw/zinc/26/14/75/561261475.db2.gz CSSCWDKRBFUAJE-HNNXBMFYSA-N 1 1 362.474 2.497 20 5 FEBDMO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000180921167 547210018 /nfs/dbraw/zinc/21/00/18/547210018.db2.gz YPXXEYRENBRLIY-NSHDSACASA-N 1 1 360.439 2.415 20 5 FEBDMO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000180921167 547210024 /nfs/dbraw/zinc/21/00/24/547210024.db2.gz YPXXEYRENBRLIY-NSHDSACASA-N 1 1 360.439 2.415 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000483033053 561265402 /nfs/dbraw/zinc/26/54/02/561265402.db2.gz RJTQTDNRULCUPY-SUMWQHHRSA-N 1 1 363.414 2.192 20 5 FEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc3c(c([N+](=O)[O-])c1)OCO3)C2 ZINC000181286908 547286710 /nfs/dbraw/zinc/28/67/10/547286710.db2.gz HUWYCBXIEOFVRY-UONOGXRCSA-N 1 1 361.398 2.411 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181479248 547321454 /nfs/dbraw/zinc/32/14/54/547321454.db2.gz VBYXLSHQZKBGSL-DZGCQCFKSA-N 1 1 363.462 2.259 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181479278 547322642 /nfs/dbraw/zinc/32/26/42/547322642.db2.gz VBYXLSHQZKBGSL-ZFWWWQNUSA-N 1 1 363.462 2.259 20 5 FEBDMO CN(CC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181861909 547393224 /nfs/dbraw/zinc/39/32/24/547393224.db2.gz CZBCYYMXTSJHJL-KRWDZBQOSA-N 1 1 359.426 2.403 20 5 FEBDMO CNC(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000182480561 547499836 /nfs/dbraw/zinc/49/98/36/547499836.db2.gz RKNOAFYFECDPJV-OAHLLOKOSA-N 1 1 361.423 2.270 20 5 FEBDMO CNC(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000182480561 547499839 /nfs/dbraw/zinc/49/98/39/547499839.db2.gz RKNOAFYFECDPJV-OAHLLOKOSA-N 1 1 361.423 2.270 20 5 FEBDMO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000183425073 547656863 /nfs/dbraw/zinc/65/68/63/547656863.db2.gz WSURKEKAYCUQEY-LJQANCHMSA-N 1 1 369.421 2.020 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000183897643 547736097 /nfs/dbraw/zinc/73/60/97/547736097.db2.gz YWFFUXDUFQPGRF-NSHDSACASA-N 1 1 371.319 2.369 20 5 FEBDMO CC(C)(C)Oc1cc(NC[C@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000484728937 561304633 /nfs/dbraw/zinc/30/46/33/561304633.db2.gz MJIORCGXUJCAAD-SFHVURJKSA-N 1 1 367.446 2.267 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000184341167 547810628 /nfs/dbraw/zinc/81/06/28/547810628.db2.gz FQRATFKLVAYSHO-ZDUSSCGKSA-N 1 1 366.487 2.073 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184601293 547852755 /nfs/dbraw/zinc/85/27/55/547852755.db2.gz XCNWLOULIVIVOG-CQSZACIVSA-N 1 1 355.460 2.088 20 5 FEBDMO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC[N@H+]1Cc1ccccc1 ZINC000185349668 547973234 /nfs/dbraw/zinc/97/32/34/547973234.db2.gz QOBFBDJQFYCFKH-QGZVFWFLSA-N 1 1 371.441 2.223 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000185364160 547975446 /nfs/dbraw/zinc/97/54/46/547975446.db2.gz FVIWWWJFMJOSLU-ZDUSSCGKSA-N 1 1 353.419 2.271 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)CC1CCCCC1 ZINC000485880889 561330992 /nfs/dbraw/zinc/33/09/92/561330992.db2.gz CJGLZHBVDDLNFP-UHFFFAOYSA-N 1 1 365.430 2.417 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485963905 561333733 /nfs/dbraw/zinc/33/37/33/561333733.db2.gz GXIVLSXNUKEZKD-JTQLQIEISA-N 1 1 352.341 2.373 20 5 FEBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-] ZINC000486020584 561335623 /nfs/dbraw/zinc/33/56/23/561335623.db2.gz VAMOVTVKQRNNHH-INIZCTEOSA-N 1 1 360.458 2.114 20 5 FEBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-] ZINC000486020584 561335624 /nfs/dbraw/zinc/33/56/24/561335624.db2.gz VAMOVTVKQRNNHH-INIZCTEOSA-N 1 1 360.458 2.114 20 5 FEBDMO COC(=O)c1cc(NC(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486865016 561358502 /nfs/dbraw/zinc/35/85/02/561358502.db2.gz HDHGCXZEAVMGQU-WCQYABFASA-N 1 1 364.402 2.294 20 5 FEBDMO CCOCC[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000486940710 561359938 /nfs/dbraw/zinc/35/99/38/561359938.db2.gz SXXXTUZQXYILHM-ZDUSSCGKSA-N 1 1 361.402 2.192 20 5 FEBDMO CCOCC[N@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000486940710 561359939 /nfs/dbraw/zinc/35/99/39/561359939.db2.gz SXXXTUZQXYILHM-ZDUSSCGKSA-N 1 1 361.402 2.192 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000198615791 548661981 /nfs/dbraw/zinc/66/19/81/548661981.db2.gz AKURAPWWZCHPLN-CHWSQXEVSA-N 1 1 365.430 2.221 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000237699075 548845965 /nfs/dbraw/zinc/84/59/65/548845965.db2.gz QOFFLRKAFFXSHS-MRVPVSSYSA-N 1 1 368.242 2.180 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245771109 548992319 /nfs/dbraw/zinc/99/23/19/548992319.db2.gz XFJRMUDBQUWWMM-WMLDXEAASA-N 1 1 369.487 2.129 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245962841 549029058 /nfs/dbraw/zinc/02/90/58/549029058.db2.gz VCRZEQCLMYALPD-OCCSQVGLSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245962841 549029061 /nfs/dbraw/zinc/02/90/61/549029061.db2.gz VCRZEQCLMYALPD-OCCSQVGLSA-N 1 1 363.805 2.157 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](c3nncn3C3CC3)C2)c1 ZINC000246129048 549058617 /nfs/dbraw/zinc/05/86/17/549058617.db2.gz REOXSDDYRZLNPN-PBHICJAKSA-N 1 1 357.414 2.434 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000246323887 549105845 /nfs/dbraw/zinc/10/58/45/549105845.db2.gz HGMHVINUMXMYCJ-HIFRSBDPSA-N 1 1 363.462 2.363 20 5 FEBDMO COC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000246628309 549177334 /nfs/dbraw/zinc/17/73/34/549177334.db2.gz CIZFXGVYOPMELQ-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000246628309 549177337 /nfs/dbraw/zinc/17/73/37/549177337.db2.gz CIZFXGVYOPMELQ-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO COC(=O)c1cc(C)nc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488734729 561395621 /nfs/dbraw/zinc/39/56/21/561395621.db2.gz RPLHDSSHMGKVJI-SLEUVZQESA-N 1 1 362.430 2.251 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000247330635 549320371 /nfs/dbraw/zinc/32/03/71/549320371.db2.gz YNYISEFPSMYXRS-YOEHRIQHSA-N 1 1 360.458 2.146 20 5 FEBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000489407428 561410213 /nfs/dbraw/zinc/41/02/13/561410213.db2.gz LXFGLOGDWYMSST-LLVKDONJSA-N 1 1 373.356 2.037 20 5 FEBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCO[C@@H]1C ZINC000489437021 561411028 /nfs/dbraw/zinc/41/10/28/561411028.db2.gz FQMZBPXPFPHKTN-WBMJQRKESA-N 1 1 352.387 2.087 20 5 FEBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCO[C@@H]1C ZINC000489437021 561411029 /nfs/dbraw/zinc/41/10/29/561411029.db2.gz FQMZBPXPFPHKTN-WBMJQRKESA-N 1 1 352.387 2.087 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@@H](C)C1 ZINC000249489562 549595905 /nfs/dbraw/zinc/59/59/05/549595905.db2.gz DVOJTIFYXPWXGX-KBPBESRZSA-N 1 1 360.414 2.137 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249492400 549595918 /nfs/dbraw/zinc/59/59/18/549595918.db2.gz FNHIQTJUGRLFMN-CABCVRRESA-N 1 1 351.447 2.269 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249743914 549623608 /nfs/dbraw/zinc/62/36/08/549623608.db2.gz YVHXCJMKKXFJTK-DZGCQCFKSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249743914 549623612 /nfs/dbraw/zinc/62/36/12/549623612.db2.gz YVHXCJMKKXFJTK-DZGCQCFKSA-N 1 1 374.441 2.160 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C3OCCO3)C2)cccc1[N+](=O)[O-] ZINC000263667976 549916084 /nfs/dbraw/zinc/91/60/84/549916084.db2.gz LJXDKOSYCFROFY-CQSZACIVSA-N 1 1 363.414 2.317 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261516 550041891 /nfs/dbraw/zinc/04/18/91/550041891.db2.gz ZIWOAMYIMKISSM-GUYCJALGSA-N 1 1 358.442 2.408 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000268983821 550140831 /nfs/dbraw/zinc/14/08/31/550140831.db2.gz IFXFKJYKVPWRIM-UHFFFAOYSA-N 1 1 369.425 2.298 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000269392556 550189923 /nfs/dbraw/zinc/18/99/23/550189923.db2.gz RQQRASMCJSPCRR-UHFFFAOYSA-N 1 1 357.414 2.229 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)NCC[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000269392556 550189924 /nfs/dbraw/zinc/18/99/24/550189924.db2.gz RQQRASMCJSPCRR-UHFFFAOYSA-N 1 1 357.414 2.229 20 5 FEBDMO COCC[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000269519267 550203607 /nfs/dbraw/zinc/20/36/07/550203607.db2.gz XCLBERKYIMRHBS-LBPRGKRZSA-N 1 1 361.320 2.064 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000493571086 561456753 /nfs/dbraw/zinc/45/67/53/561456753.db2.gz DYUILWADWGQFLE-GFCCVEGCSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000493571087 561456849 /nfs/dbraw/zinc/45/68/49/561456849.db2.gz DYUILWADWGQFLE-LBPRGKRZSA-N 1 1 355.460 2.222 20 5 FEBDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270603896 550288658 /nfs/dbraw/zinc/28/86/58/550288658.db2.gz XHDIFPOJYNLEGH-KRWDZBQOSA-N 1 1 367.409 2.480 20 5 FEBDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270603896 550288659 /nfs/dbraw/zinc/28/86/59/550288659.db2.gz XHDIFPOJYNLEGH-KRWDZBQOSA-N 1 1 367.409 2.480 20 5 FEBDMO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000270812979 550309700 /nfs/dbraw/zinc/30/97/00/550309700.db2.gz WUWXAELTSSHLSS-DGCLKSJQSA-N 1 1 350.329 2.103 20 5 FEBDMO C[N@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000270812979 550309703 /nfs/dbraw/zinc/30/97/03/550309703.db2.gz WUWXAELTSSHLSS-DGCLKSJQSA-N 1 1 350.329 2.103 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000271433934 550375054 /nfs/dbraw/zinc/37/50/54/550375054.db2.gz SCITVNPMFGOUJG-GDBMZVCRSA-N 1 1 371.441 2.453 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000271697244 550396212 /nfs/dbraw/zinc/39/62/12/550396212.db2.gz KERYOIXFIZLPCS-CYBMUJFWSA-N 1 1 362.430 2.141 20 5 FEBDMO CC(C)[N@@H+](C)CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000272834173 550472643 /nfs/dbraw/zinc/47/26/43/550472643.db2.gz KOYXMBHEBBLIKZ-UHFFFAOYSA-N 1 1 356.810 2.033 20 5 FEBDMO Cc1cc(C2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)n[nH]1 ZINC000272918872 550476675 /nfs/dbraw/zinc/47/66/75/550476675.db2.gz IKVFOWPLFFCYMF-UHFFFAOYSA-N 1 1 369.425 2.395 20 5 FEBDMO Cc1cc(C2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)[nH]n1 ZINC000272918872 550476677 /nfs/dbraw/zinc/47/66/77/550476677.db2.gz IKVFOWPLFFCYMF-UHFFFAOYSA-N 1 1 369.425 2.395 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273993528 550518420 /nfs/dbraw/zinc/51/84/20/550518420.db2.gz XUJTYNBUPNLLCR-UHFFFAOYSA-N 1 1 355.410 2.096 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000277074433 550628863 /nfs/dbraw/zinc/62/88/63/550628863.db2.gz SWAIDEJKGXFPEI-HOCLYGCPSA-N 1 1 358.442 2.408 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000278319894 550772388 /nfs/dbraw/zinc/77/23/88/550772388.db2.gz AERUUOISHUMFSC-SZTZYQKNSA-N 1 1 359.426 2.320 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CCCO1 ZINC000278388157 550780035 /nfs/dbraw/zinc/78/00/35/550780035.db2.gz CQXKJOVJPOYZCS-CQSZACIVSA-N 1 1 374.441 2.236 20 5 FEBDMO CC(C)[NH+]1CCN(C2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000278430109 550785265 /nfs/dbraw/zinc/78/52/65/550785265.db2.gz JIDWZDWMKHJARF-UHFFFAOYSA-N 1 1 372.473 2.466 20 5 FEBDMO CC[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000278524927 550795292 /nfs/dbraw/zinc/79/52/92/550795292.db2.gz ZIZBJEUFAJXMEC-WDEREUQCSA-N 1 1 362.352 2.290 20 5 FEBDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495251540 561485631 /nfs/dbraw/zinc/48/56/31/561485631.db2.gz WKCZGMUXPRNYPS-SCLBCKFNSA-N 1 1 363.414 2.376 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000279908023 550941977 /nfs/dbraw/zinc/94/19/77/550941977.db2.gz VNOMWTSBPILURO-CQSZACIVSA-N 1 1 366.414 2.252 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000279908023 550941979 /nfs/dbraw/zinc/94/19/79/550941979.db2.gz VNOMWTSBPILURO-CQSZACIVSA-N 1 1 366.414 2.252 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CC2CCC2)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000280277299 550976168 /nfs/dbraw/zinc/97/61/68/550976168.db2.gz DFVAXMAUBLISON-GFCCVEGCSA-N 1 1 351.403 2.025 20 5 FEBDMO CO[C@@]1(C)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280503180 551001240 /nfs/dbraw/zinc/00/12/40/551001240.db2.gz NCOKQTJOVNJXBS-INIZCTEOSA-N 1 1 356.444 2.260 20 5 FEBDMO CO[C@@]1(C)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280503180 551001242 /nfs/dbraw/zinc/00/12/42/551001242.db2.gz NCOKQTJOVNJXBS-INIZCTEOSA-N 1 1 356.444 2.260 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)C[C@H](C)O1 ZINC000281039552 551057027 /nfs/dbraw/zinc/05/70/27/551057027.db2.gz VIORKTSJIAPDEP-TXEJJXNPSA-N 1 1 361.402 2.155 20 5 FEBDMO COc1ccc(CNC(=O)C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000282573325 551247644 /nfs/dbraw/zinc/24/76/44/551247644.db2.gz ZVLJCSMOYUOORS-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO COc1ccc(CNC(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000282573325 551247646 /nfs/dbraw/zinc/24/76/46/551247646.db2.gz ZVLJCSMOYUOORS-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C ZINC000282683970 551259416 /nfs/dbraw/zinc/25/94/16/551259416.db2.gz LIYOHRRSDNFDJS-UHFFFAOYSA-N 1 1 369.853 2.396 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000283157258 551320869 /nfs/dbraw/zinc/32/08/69/551320869.db2.gz CTLRIEYBOSKLSG-GXTWGEPZSA-N 1 1 361.320 2.311 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000283711893 551414362 /nfs/dbraw/zinc/41/43/62/551414362.db2.gz DZTWRMHOQRUFCM-ZDUSSCGKSA-N 1 1 350.419 2.253 20 5 FEBDMO CN1CCO[C@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000283950560 551455809 /nfs/dbraw/zinc/45/58/09/551455809.db2.gz AOKXOEKFDOIOCC-SJORKVTESA-N 1 1 372.425 2.197 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498227588 561519285 /nfs/dbraw/zinc/51/92/85/561519285.db2.gz LBQWSPQGOPSQMG-OLZOCXBDSA-N 1 1 350.419 2.228 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000284836833 551646899 /nfs/dbraw/zinc/64/68/99/551646899.db2.gz NFCODTQVTLHHQM-IAGOWNOFSA-N 1 1 358.398 2.155 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000288489862 552162092 /nfs/dbraw/zinc/16/20/92/552162092.db2.gz RMWVKBPFGUWFAO-LJQANCHMSA-N 1 1 369.425 2.067 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000288563328 552175830 /nfs/dbraw/zinc/17/58/30/552175830.db2.gz UCOHCDVREBIQPH-LLVKDONJSA-N 1 1 353.444 2.492 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000288563328 552175832 /nfs/dbraw/zinc/17/58/32/552175832.db2.gz UCOHCDVREBIQPH-LLVKDONJSA-N 1 1 353.444 2.492 20 5 FEBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000500194229 561567573 /nfs/dbraw/zinc/56/75/73/561567573.db2.gz JVFNEOYYIWWIMY-UHFFFAOYSA-N 1 1 352.435 2.134 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000289790131 552378639 /nfs/dbraw/zinc/37/86/39/552378639.db2.gz ISEQTDWYUWBMAU-GFCCVEGCSA-N 1 1 359.423 2.147 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCN(c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000289794320 552379737 /nfs/dbraw/zinc/37/97/37/552379737.db2.gz XXXGYKANIZFDLN-UHFFFAOYSA-N 1 1 352.192 2.407 20 5 FEBDMO COc1cc(C[N@@H+](C)CCC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000289849027 552388699 /nfs/dbraw/zinc/38/86/99/552388699.db2.gz UWOGLHGHBVHFGV-UHFFFAOYSA-N 1 1 373.409 2.490 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000290551374 552497049 /nfs/dbraw/zinc/49/70/49/552497049.db2.gz RUWHOPHOHLRBGG-ZDUSSCGKSA-N 1 1 363.414 2.056 20 5 FEBDMO CN(c1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000290753100 552532153 /nfs/dbraw/zinc/53/21/53/552532153.db2.gz JASSRDLVTKWWOC-HNNXBMFYSA-N 1 1 369.425 2.190 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(N2CCN(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000291008187 552575331 /nfs/dbraw/zinc/57/53/31/552575331.db2.gz VZENZWBHDHDQGU-UHFFFAOYSA-N 1 1 365.777 2.085 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000291014731 552576250 /nfs/dbraw/zinc/57/62/50/552576250.db2.gz UXCAFFKHWSMCHL-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000291656850 552647933 /nfs/dbraw/zinc/64/79/33/552647933.db2.gz XCOZXBPYUWUAHP-GFCCVEGCSA-N 1 1 353.419 2.462 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)cc1SC ZINC000292382695 552721595 /nfs/dbraw/zinc/72/15/95/552721595.db2.gz XMLSGKGVHFNDKE-KRWDZBQOSA-N 1 1 365.455 2.493 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000292655165 552746842 /nfs/dbraw/zinc/74/68/42/552746842.db2.gz LGZWYIQWFKPGAM-ZDUSSCGKSA-N 1 1 351.403 2.023 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc([N+](=O)[O-])c1F ZINC000292856220 552765657 /nfs/dbraw/zinc/76/56/57/552765657.db2.gz QYKAVMMYYGTYCU-MRXNPFEDSA-N 1 1 371.434 2.149 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]1C[NH+]1CCCC1 ZINC000294867631 552939834 /nfs/dbraw/zinc/93/98/34/552939834.db2.gz DNSRVUWUXJXALZ-AWEZNQCLSA-N 1 1 353.444 2.063 20 5 FEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 ZINC000295604382 553032280 /nfs/dbraw/zinc/03/22/80/553032280.db2.gz UQXKRGAJMMBYJS-LBPRGKRZSA-N 1 1 355.822 2.085 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295633441 553036547 /nfs/dbraw/zinc/03/65/47/553036547.db2.gz BXJMEOJVUNWDED-CQSZACIVSA-N 1 1 365.430 2.415 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000298342910 553414498 /nfs/dbraw/zinc/41/44/98/553414498.db2.gz MBGLPADYHJDCCE-CQSZACIVSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1ccc(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000298391031 553419746 /nfs/dbraw/zinc/41/97/46/553419746.db2.gz IBBRWDITZWKCPC-QGZVFWFLSA-N 1 1 363.462 2.297 20 5 FEBDMO CC[C@H](C)[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(=O)OC ZINC000298567078 553441958 /nfs/dbraw/zinc/44/19/58/553441958.db2.gz PZCVDZCZFXNMLO-LBPRGKRZSA-N 1 1 367.402 2.206 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000298968417 553496888 /nfs/dbraw/zinc/49/68/88/553496888.db2.gz PAPQQRZPRSMXTK-YIONKMFJSA-N 1 1 374.441 2.234 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000299025459 553505239 /nfs/dbraw/zinc/50/52/39/553505239.db2.gz OALSGMGYEURUHF-UHFFFAOYSA-N 1 1 373.457 2.224 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000299378522 553555469 /nfs/dbraw/zinc/55/54/69/553555469.db2.gz WCYSDWRVVFKCNF-OAHLLOKOSA-N 1 1 355.398 2.111 20 5 FEBDMO CC(C)(C)[NH+]1CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000299436588 553562705 /nfs/dbraw/zinc/56/27/05/553562705.db2.gz WDRMICSYMJBPIA-UHFFFAOYSA-N 1 1 359.423 2.275 20 5 FEBDMO CCOC(=O)N1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000299454643 553565415 /nfs/dbraw/zinc/56/54/15/553565415.db2.gz ADMQERHJTPYGHI-UHFFFAOYSA-N 1 1 364.402 2.088 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301085687 553620804 /nfs/dbraw/zinc/62/08/04/553620804.db2.gz JEFJXODSSXEFGA-NSHDSACASA-N 1 1 352.391 2.448 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000301266513 553637542 /nfs/dbraw/zinc/63/75/42/553637542.db2.gz PVCTXOXJDOFBKE-QWRGUYRKSA-N 1 1 358.236 2.249 20 5 FEBDMO Cc1cc(OC[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000504672816 561661145 /nfs/dbraw/zinc/66/11/45/561661145.db2.gz FHHKCRIUFVPBAP-RWMBFGLXSA-N 1 1 358.822 2.406 20 5 FEBDMO O=[N+]([O-])c1cnc(NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc1 ZINC000302213985 553710902 /nfs/dbraw/zinc/71/09/02/553710902.db2.gz IBIMHCMJMJQUHG-UHFFFAOYSA-N 1 1 362.821 2.272 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2c2nc3sccn3c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000302557121 553721387 /nfs/dbraw/zinc/72/13/87/553721387.db2.gz YMFOVTCYSICUNF-JHJVBQTASA-N 1 1 365.459 2.382 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000509006578 561781211 /nfs/dbraw/zinc/78/12/11/561781211.db2.gz YVMPEWNSHVYCHF-AWEZNQCLSA-N 1 1 362.430 2.141 20 5 FEBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502474 554275405 /nfs/dbraw/zinc/27/54/05/554275405.db2.gz LWDITHTWCIHCMV-SKDRFNHKSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502474 554275409 /nfs/dbraw/zinc/27/54/09/554275409.db2.gz LWDITHTWCIHCMV-SKDRFNHKSA-N 1 1 359.835 2.009 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000332224889 554404460 /nfs/dbraw/zinc/40/44/60/554404460.db2.gz LXBLMMOJTVIDCW-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)CCO1 ZINC000332564705 554472588 /nfs/dbraw/zinc/47/25/88/554472588.db2.gz WNXVQDRBCUETET-LBPRGKRZSA-N 1 1 366.393 2.451 20 5 FEBDMO C[C@@H]1C[C@H](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000510190120 561827580 /nfs/dbraw/zinc/82/75/80/561827580.db2.gz DFHDGFDUGYSFLS-WBVHZDCISA-N 1 1 371.441 2.208 20 5 FEBDMO CCOc1cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000510739027 561844983 /nfs/dbraw/zinc/84/49/83/561844983.db2.gz BHZUTSBWNMBNCX-LBPRGKRZSA-N 1 1 363.414 2.382 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000511000753 561853475 /nfs/dbraw/zinc/85/34/75/561853475.db2.gz SJKCZLWYYDTPSP-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359895380 554856139 /nfs/dbraw/zinc/85/61/39/554856139.db2.gz HTHDOXISAHZRCZ-MSOLQXFVSA-N 1 1 374.441 2.317 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359895380 554856141 /nfs/dbraw/zinc/85/61/41/554856141.db2.gz HTHDOXISAHZRCZ-MSOLQXFVSA-N 1 1 374.441 2.317 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000361491483 554921816 /nfs/dbraw/zinc/92/18/16/554921816.db2.gz VIDLZFORMYNILK-DOTOQJQBSA-N 1 1 371.441 2.160 20 5 FEBDMO Cc1c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290414 554961133 /nfs/dbraw/zinc/96/11/33/554961133.db2.gz RODBERZZWFBKRK-IUODEOHRSA-N 1 1 362.386 2.286 20 5 FEBDMO CC(C)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000362736920 554985546 /nfs/dbraw/zinc/98/55/46/554985546.db2.gz PHHREKIGCQQDMZ-UHFFFAOYSA-N 1 1 350.375 2.307 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511752640 561879650 /nfs/dbraw/zinc/87/96/50/561879650.db2.gz ACIQPXIPCPXNCO-MRXNPFEDSA-N 1 1 371.441 2.359 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363256148 555065318 /nfs/dbraw/zinc/06/53/18/555065318.db2.gz HKTKMMICEROVGL-VBNZEHGJSA-N 1 1 360.370 2.059 20 5 FEBDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC3 ZINC000363289164 555071628 /nfs/dbraw/zinc/07/16/28/555071628.db2.gz SLAVPHRVBVQJNR-AWEZNQCLSA-N 1 1 355.398 2.000 20 5 FEBDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC3 ZINC000363289164 555071629 /nfs/dbraw/zinc/07/16/29/555071629.db2.gz SLAVPHRVBVQJNR-AWEZNQCLSA-N 1 1 355.398 2.000 20 5 FEBDMO O=[N+]([O-])c1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c2c(c1)COCO2 ZINC000363414026 555099858 /nfs/dbraw/zinc/09/98/58/555099858.db2.gz JGVNAQGTPCEILX-KBAYOESNSA-N 1 1 359.426 2.377 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422735 555101861 /nfs/dbraw/zinc/10/18/61/555101861.db2.gz IXHGJUNWTZJYLY-UPJWGTAASA-N 1 1 353.444 2.276 20 5 FEBDMO COC(=O)c1cn([C@@H]2CCC[N@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000363994530 555229600 /nfs/dbraw/zinc/22/96/00/555229600.db2.gz BMGXNGKLLAPLCB-SWLSCSKDSA-N 1 1 359.386 2.371 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364018960 555234567 /nfs/dbraw/zinc/23/45/67/555234567.db2.gz GZTLOCVPFCDGML-ROUUACIJSA-N 1 1 374.441 2.399 20 5 FEBDMO COCC[C@@H]1CCCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364138650 555257105 /nfs/dbraw/zinc/25/71/05/555257105.db2.gz KIWLXWSLAPYLJM-RDJZCZTQSA-N 1 1 352.431 2.473 20 5 FEBDMO Cc1cc(C)n2c(C[N@@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)cnc2n1 ZINC000364341091 555294815 /nfs/dbraw/zinc/29/48/15/555294815.db2.gz SYNASOBCILBUED-CQSZACIVSA-N 1 1 355.402 2.288 20 5 FEBDMO Cc1cc(C)n2c(C[N@H+]3CCC[C@@H](n4cc([N+](=O)[O-])cn4)C3)cnc2n1 ZINC000364341091 555294817 /nfs/dbraw/zinc/29/48/17/555294817.db2.gz SYNASOBCILBUED-CQSZACIVSA-N 1 1 355.402 2.288 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc2C1 ZINC000364345428 555295843 /nfs/dbraw/zinc/29/58/43/555295843.db2.gz VLXQKIFAORVLCG-QGZVFWFLSA-N 1 1 369.425 2.013 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc2C1 ZINC000364345428 555295845 /nfs/dbraw/zinc/29/58/45/555295845.db2.gz VLXQKIFAORVLCG-QGZVFWFLSA-N 1 1 369.425 2.013 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@]1=O ZINC000512485815 561907347 /nfs/dbraw/zinc/90/73/47/561907347.db2.gz JFYULDZYTSVNIJ-MHGHZUBYSA-N 1 1 353.444 2.155 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@]1=O ZINC000512485815 561907348 /nfs/dbraw/zinc/90/73/48/561907348.db2.gz JFYULDZYTSVNIJ-MHGHZUBYSA-N 1 1 353.444 2.155 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764096 555396680 /nfs/dbraw/zinc/39/66/80/555396680.db2.gz KJLPLIXAOXZJRS-STQMWFEESA-N 1 1 363.414 2.361 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000364764096 555396685 /nfs/dbraw/zinc/39/66/85/555396685.db2.gz KJLPLIXAOXZJRS-STQMWFEESA-N 1 1 363.414 2.361 20 5 FEBDMO Cc1c(NC(=O)C(=O)N2CCC[N@H+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000364836480 555411593 /nfs/dbraw/zinc/41/15/93/555411593.db2.gz BQZMRUYMSHLESW-UHFFFAOYSA-N 1 1 362.430 2.032 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000364871152 555420906 /nfs/dbraw/zinc/42/09/06/555420906.db2.gz QXNNSOGXIDNOTA-INIZCTEOSA-N 1 1 374.485 2.418 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364871152 555420908 /nfs/dbraw/zinc/42/09/08/555420908.db2.gz QXNNSOGXIDNOTA-INIZCTEOSA-N 1 1 374.485 2.418 20 5 FEBDMO Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000365231871 555517686 /nfs/dbraw/zinc/51/76/86/555517686.db2.gz ZWUJHAGMKDWKFL-KRWDZBQOSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1ccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000365231871 555517690 /nfs/dbraw/zinc/51/76/90/555517690.db2.gz ZWUJHAGMKDWKFL-KRWDZBQOSA-N 1 1 360.458 2.144 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000365376419 555557686 /nfs/dbraw/zinc/55/76/86/555557686.db2.gz BTVNVOAQTYZASE-KBPBESRZSA-N 1 1 365.434 2.123 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000365393742 555563196 /nfs/dbraw/zinc/56/31/96/555563196.db2.gz KBEWKAOSGWPHTC-JEBQAFNWSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000365393742 555563200 /nfs/dbraw/zinc/56/32/00/555563200.db2.gz KBEWKAOSGWPHTC-JEBQAFNWSA-N 1 1 374.441 2.397 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(F)cc1 ZINC000366809892 555940158 /nfs/dbraw/zinc/94/01/58/555940158.db2.gz VNLNFLNRUIVQQY-RHSMWYFYSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H]1c1ccc(F)cc1 ZINC000366809892 555940159 /nfs/dbraw/zinc/94/01/59/555940159.db2.gz VNLNFLNRUIVQQY-RHSMWYFYSA-N 1 1 358.373 2.491 20 5 FEBDMO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367671097 556110445 /nfs/dbraw/zinc/11/04/45/556110445.db2.gz OCGIUGIXTUYXJS-NSHDSACASA-N 1 1 361.851 2.353 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367671097 556110449 /nfs/dbraw/zinc/11/04/49/556110449.db2.gz OCGIUGIXTUYXJS-NSHDSACASA-N 1 1 361.851 2.353 20 5 FEBDMO C[N@@H+](C[C@@H]1CC12CCN(C(=O)Nc1ccncc1[N+](=O)[O-])CC2)C1CC1 ZINC000367794615 556141106 /nfs/dbraw/zinc/14/11/06/556141106.db2.gz UQVKEUFLJOJPIX-ZDUSSCGKSA-N 1 1 359.430 2.140 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000367838562 556151803 /nfs/dbraw/zinc/15/18/03/556151803.db2.gz FVXUCNXDXHRWJY-INIZCTEOSA-N 1 1 355.797 2.484 20 5 FEBDMO C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000515134430 561997518 /nfs/dbraw/zinc/99/75/18/561997518.db2.gz QJSUKLQHLYEPKJ-AWEZNQCLSA-N 1 1 362.430 2.099 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000368322171 556278225 /nfs/dbraw/zinc/27/82/25/556278225.db2.gz AEKWNZVYDUUHSN-UHFFFAOYSA-N 1 1 369.425 2.109 20 5 FEBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCc2cccnc21 ZINC000368368862 556289727 /nfs/dbraw/zinc/28/97/27/556289727.db2.gz CSKKKCVTTLZHOR-KRWDZBQOSA-N 1 1 372.425 2.178 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000368615159 556363815 /nfs/dbraw/zinc/36/38/15/556363815.db2.gz RUXGASYMAHIHRE-BRWVUGGUSA-N 1 1 364.442 2.473 20 5 FEBDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)on1 ZINC000368969544 556462689 /nfs/dbraw/zinc/46/26/89/556462689.db2.gz PBCOFAKUPOWCOM-UHFFFAOYSA-N 1 1 373.413 2.331 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCCC[C@H]3Cn3ccnn3)n2)cc1 ZINC000369379454 556585263 /nfs/dbraw/zinc/58/52/63/556585263.db2.gz LRBCLWKGSHYGAC-HNNXBMFYSA-N 1 1 369.385 2.291 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC[C@H]3Cn3ccnn3)n2)cc1 ZINC000369379454 556585265 /nfs/dbraw/zinc/58/52/65/556585265.db2.gz LRBCLWKGSHYGAC-HNNXBMFYSA-N 1 1 369.385 2.291 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000516354951 562040617 /nfs/dbraw/zinc/04/06/17/562040617.db2.gz CONQRLNZDGTYDX-IUODEOHRSA-N 1 1 351.451 2.129 20 5 FEBDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000369855101 556713514 /nfs/dbraw/zinc/71/35/14/556713514.db2.gz CKKAFCKCBMSSRC-GOSISDBHSA-N 1 1 363.414 2.193 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Cn2ccc([N+](=O)[O-])n2)cc1F ZINC000370191434 556806632 /nfs/dbraw/zinc/80/66/32/556806632.db2.gz LXCQCQNKLDAZAE-NSHDSACASA-N 1 1 372.360 2.302 20 5 FEBDMO COc1ccc(OCC[NH+]2CCC(c3n[nH]c(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000370377624 556854702 /nfs/dbraw/zinc/85/47/02/556854702.db2.gz TVOAUPUTTCATKB-UHFFFAOYSA-N 1 1 361.402 2.288 20 5 FEBDMO COc1ccc(OCC[NH+]2CCC(c3nnc(C)[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000370377624 556854704 /nfs/dbraw/zinc/85/47/04/556854704.db2.gz TVOAUPUTTCATKB-UHFFFAOYSA-N 1 1 361.402 2.288 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689123 556940774 /nfs/dbraw/zinc/94/07/74/556940774.db2.gz KBGVKHFOBRDKAV-QZTJIDSGSA-N 1 1 374.441 2.132 20 5 FEBDMO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000370927439 557019024 /nfs/dbraw/zinc/01/90/24/557019024.db2.gz IHZULUYRBLUJQJ-YJBOKZPZSA-N 1 1 371.441 2.450 20 5 FEBDMO COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747603 562097021 /nfs/dbraw/zinc/09/70/21/562097021.db2.gz ZBQNFMJQBCEQPE-HOTGVXAUSA-N 1 1 371.441 2.227 20 5 FEBDMO COc1ccc([C@@H](C[NH3+])CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000517747603 562097022 /nfs/dbraw/zinc/09/70/22/562097022.db2.gz ZBQNFMJQBCEQPE-HOTGVXAUSA-N 1 1 371.441 2.227 20 5 FEBDMO CN1C(=O)CSC12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000371794570 557295676 /nfs/dbraw/zinc/29/56/76/557295676.db2.gz HTTLLCRHDGZWGE-UHFFFAOYSA-N 1 1 362.411 2.233 20 5 FEBDMO CC(C)OC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000372127512 557387222 /nfs/dbraw/zinc/38/72/22/557387222.db2.gz CVFVHIGXPWZMQD-CQSZACIVSA-N 1 1 351.403 2.049 20 5 FEBDMO CC(C)OC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000372127512 557387225 /nfs/dbraw/zinc/38/72/25/557387225.db2.gz CVFVHIGXPWZMQD-CQSZACIVSA-N 1 1 351.403 2.049 20 5 FEBDMO C[NH+](C)[C@H](C(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000372478718 557480717 /nfs/dbraw/zinc/48/07/17/557480717.db2.gz VXFHVHHZHTZHJF-RDJZCZTQSA-N 1 1 357.414 2.258 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@@H](c2nnc[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372602075 557517616 /nfs/dbraw/zinc/51/76/16/557517616.db2.gz VMJSPHLSQNCRNR-LLVKDONJSA-N 1 1 362.365 2.060 20 5 FEBDMO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000372734290 557550043 /nfs/dbraw/zinc/55/00/43/557550043.db2.gz BQHYEEVHXMEPHL-HNNXBMFYSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000372734290 557550044 /nfs/dbraw/zinc/55/00/44/557550044.db2.gz BQHYEEVHXMEPHL-HNNXBMFYSA-N 1 1 365.411 2.108 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000373106720 557630024 /nfs/dbraw/zinc/63/00/24/557630024.db2.gz LZSXVUNOHURADN-OAHLLOKOSA-N 1 1 356.382 2.042 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000519847427 562146386 /nfs/dbraw/zinc/14/63/86/562146386.db2.gz BUBZNKKHBLWUMK-ZDUSSCGKSA-N 1 1 365.430 2.145 20 5 FEBDMO COC(=O)[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC12CCC2 ZINC000373182434 557645707 /nfs/dbraw/zinc/64/57/07/557645707.db2.gz IQPYBVHHIPZCMV-CQSZACIVSA-N 1 1 372.381 2.420 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC12CCC2 ZINC000373182434 557645709 /nfs/dbraw/zinc/64/57/09/557645709.db2.gz IQPYBVHHIPZCMV-CQSZACIVSA-N 1 1 372.381 2.420 20 5 FEBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000373393965 557686204 /nfs/dbraw/zinc/68/62/04/557686204.db2.gz OXUWXRVASJAXTO-LBPRGKRZSA-N 1 1 358.402 2.369 20 5 FEBDMO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373568369 557719938 /nfs/dbraw/zinc/71/99/38/557719938.db2.gz QJSSATWRKODLDW-FUHWJXTLSA-N 1 1 374.441 2.485 20 5 FEBDMO Cn1cc(-c2cc(C[N@@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)on2)cn1 ZINC000373584407 557723345 /nfs/dbraw/zinc/72/33/45/557723345.db2.gz LGUNGEXVPLELHH-ZDUSSCGKSA-N 1 1 357.374 2.017 20 5 FEBDMO Cn1cc(-c2cc(C[N@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)on2)cn1 ZINC000373584407 557723346 /nfs/dbraw/zinc/72/33/46/557723346.db2.gz LGUNGEXVPLELHH-ZDUSSCGKSA-N 1 1 357.374 2.017 20 5 FEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000373809055 557763771 /nfs/dbraw/zinc/76/37/71/557763771.db2.gz HQOHMUWKKAMYSF-KDOFPFPSSA-N 1 1 363.414 2.193 20 5 FEBDMO O=C(C[NH+]1CCC(OCC2CC2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000374090232 557821782 /nfs/dbraw/zinc/82/17/82/557821782.db2.gz BCKFBIHPQUIPFB-UHFFFAOYSA-N 1 1 359.426 2.375 20 5 FEBDMO O=C(NCC1CCOCC1)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000374392303 557877759 /nfs/dbraw/zinc/87/77/59/557877759.db2.gz SHFYILOSFQWWBT-GOSISDBHSA-N 1 1 361.442 2.145 20 5 FEBDMO O=C1[C@@H]([NH+]2CCC([C@@H]3CCOC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374604962 557905628 /nfs/dbraw/zinc/90/56/28/557905628.db2.gz OOHFLYHSJQFVEA-QAPCUYQASA-N 1 1 359.426 2.449 20 5 FEBDMO CC(C)C[NH+]1CCC(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000521426647 562176020 /nfs/dbraw/zinc/17/60/20/562176020.db2.gz KWWJGUUESXQPPK-QGZVFWFLSA-N 1 1 351.447 2.045 20 5 FEBDMO Cn1nccc1[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000375806903 558082494 /nfs/dbraw/zinc/08/24/94/558082494.db2.gz AOEFAOWHKHERKV-OAHLLOKOSA-N 1 1 369.425 2.097 20 5 FEBDMO Cn1nccc1[C@@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000375806903 558082495 /nfs/dbraw/zinc/08/24/95/558082495.db2.gz AOEFAOWHKHERKV-OAHLLOKOSA-N 1 1 369.425 2.097 20 5 FEBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000376117948 558129049 /nfs/dbraw/zinc/12/90/49/558129049.db2.gz TVENNZWBWIJWNN-ZDUSSCGKSA-N 1 1 359.386 2.320 20 5 FEBDMO COCC[C@@H]1CCCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376376889 558164921 /nfs/dbraw/zinc/16/49/21/558164921.db2.gz QEJGUSMLHHXBIN-JKSUJKDBSA-N 1 1 352.431 2.473 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377660401 558389315 /nfs/dbraw/zinc/38/93/15/558389315.db2.gz WNXAIGNQIBQZIE-ACJLOTCBSA-N 1 1 365.430 2.271 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377660401 558389317 /nfs/dbraw/zinc/38/93/17/558389317.db2.gz WNXAIGNQIBQZIE-ACJLOTCBSA-N 1 1 365.430 2.271 20 5 FEBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000522530622 562199480 /nfs/dbraw/zinc/19/94/80/562199480.db2.gz NEGXAZUASZWRRQ-UHFFFAOYSA-N 1 1 359.430 2.295 20 5 FEBDMO COc1cc(OCC(=O)NCc2[nH+]c(C)n3c2CCCC3)ccc1[N+](=O)[O-] ZINC000378306656 558525009 /nfs/dbraw/zinc/52/50/09/558525009.db2.gz FLFJZOUUHVXSSY-UHFFFAOYSA-N 1 1 374.397 2.140 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1C ZINC000408059540 558641810 /nfs/dbraw/zinc/64/18/10/558641810.db2.gz QKJXXEQCYMNTKH-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000408340606 558668839 /nfs/dbraw/zinc/66/88/39/558668839.db2.gz WPCNORUWBFECKS-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524737078 562233443 /nfs/dbraw/zinc/23/34/43/562233443.db2.gz FPKFBPZPJNBACQ-JSGCOSHPSA-N 1 1 357.414 2.208 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCOC(C)(C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411341388 558880228 /nfs/dbraw/zinc/88/02/28/558880228.db2.gz CPLAPXGMVICGTD-GFCCVEGCSA-N 1 1 351.403 2.431 20 5 FEBDMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000525493428 562249311 /nfs/dbraw/zinc/24/93/11/562249311.db2.gz ZXUGQYBRRADAGL-IBGZPJMESA-N 1 1 370.409 2.353 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1F ZINC000411473579 558901190 /nfs/dbraw/zinc/90/11/90/558901190.db2.gz OZRKWIGPIJBIEU-VXGBXAGGSA-N 1 1 351.378 2.028 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000411598343 558926647 /nfs/dbraw/zinc/92/66/47/558926647.db2.gz XEVKOMUHTLNGJS-UHFFFAOYSA-N 1 1 362.430 2.141 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000411601732 558927143 /nfs/dbraw/zinc/92/71/43/558927143.db2.gz BBDQZWNYIGQTED-XQQFMLRXSA-N 1 1 351.403 2.430 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCNC(C)(C)C[NH+]1CCCC1 ZINC000411879990 558981665 /nfs/dbraw/zinc/98/16/65/558981665.db2.gz SNCWVFVUBVMTSZ-UHFFFAOYSA-N 1 1 364.446 2.396 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@@H](N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000412059232 559007925 /nfs/dbraw/zinc/00/79/25/559007925.db2.gz WTYDXBSLWGOIEG-OAHLLOKOSA-N 1 1 374.441 2.400 20 5 FEBDMO COc1ccc(OCC[N@@H+](C)C(C)(C)CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000412093275 559012855 /nfs/dbraw/zinc/01/28/55/559012855.db2.gz OFWXNRAARCFFIE-UHFFFAOYSA-N 1 1 367.446 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1F ZINC000412122676 559015762 /nfs/dbraw/zinc/01/57/62/559015762.db2.gz GRMNLQBLRWLOEK-WCQYABFASA-N 1 1 353.394 2.084 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412165235 559017768 /nfs/dbraw/zinc/01/77/68/559017768.db2.gz UKJNBJMMTAETTB-LBPRGKRZSA-N 1 1 353.394 2.228 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1F ZINC000412279304 559024599 /nfs/dbraw/zinc/02/45/99/559024599.db2.gz AMQLJNGJQSQQRT-CQSZACIVSA-N 1 1 353.394 2.084 20 5 FEBDMO CN1CC[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000413062448 559073940 /nfs/dbraw/zinc/07/39/40/559073940.db2.gz RBTZXCGHIADEPG-UHFFFAOYSA-N 1 1 359.405 2.488 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413347495 559100531 /nfs/dbraw/zinc/10/05/31/559100531.db2.gz LDTKYFDULRDTCA-UHFFFAOYSA-N 1 1 370.475 2.131 20 5 FEBDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNc1ncc([N+](=O)[O-])c(C)n1 ZINC000413527544 559114191 /nfs/dbraw/zinc/11/41/91/559114191.db2.gz FINDPUMLDHOCPK-SJLPKXTDSA-N 1 1 371.441 2.642 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1F ZINC000413630163 559121467 /nfs/dbraw/zinc/12/14/67/559121467.db2.gz KIRGPNWCEHBMDH-TZMCWYRMSA-N 1 1 365.405 2.228 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1F ZINC000413722110 559126986 /nfs/dbraw/zinc/12/69/86/559126986.db2.gz PIGJZKXEXYNGJK-NSHDSACASA-N 1 1 351.378 2.052 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000416410215 559310884 /nfs/dbraw/zinc/31/08/84/559310884.db2.gz DZNSHZZKNNOUSO-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420373771 559483682 /nfs/dbraw/zinc/48/36/82/559483682.db2.gz NFQHHVKBUDMFNZ-GOSISDBHSA-N 1 1 362.430 2.008 20 5 FEBDMO CCOc1cc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000421699503 559549614 /nfs/dbraw/zinc/54/96/14/559549614.db2.gz BJXXUSBRGKUPEA-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000421714798 559550606 /nfs/dbraw/zinc/55/06/06/559550606.db2.gz WKIXWFMYJWZRKZ-CQSZACIVSA-N 1 1 367.471 2.500 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000421766092 559552439 /nfs/dbraw/zinc/55/24/39/559552439.db2.gz CJQGCKORXMXLSR-GOSISDBHSA-N 1 1 362.474 2.213 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000422034017 559561881 /nfs/dbraw/zinc/56/18/81/559561881.db2.gz ISRZYPKUSDSPAQ-CYBMUJFWSA-N 1 1 358.398 2.074 20 5 FEBDMO CN(C)c1ncc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)n1C ZINC000425339242 559697690 /nfs/dbraw/zinc/69/76/90/559697690.db2.gz RIYLKOIIGPAYHA-UHFFFAOYSA-N 1 1 359.430 2.438 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425548546 559709242 /nfs/dbraw/zinc/70/92/42/559709242.db2.gz NBAPICSUOKJQKO-CMPLNLGQSA-N 1 1 355.358 2.313 20 5 FEBDMO COCC1(C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000425940635 559725691 /nfs/dbraw/zinc/72/56/91/559725691.db2.gz XJJROPUOXQPKIC-KRWDZBQOSA-N 1 1 374.441 2.451 20 5 FEBDMO CC[C@@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000427201329 559750328 /nfs/dbraw/zinc/75/03/28/559750328.db2.gz ZHKOUEPTAHHVAH-INIZCTEOSA-N 1 1 371.441 2.378 20 5 FEBDMO CC(C)(NC(=O)NCC[NH+]1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000431686159 559843932 /nfs/dbraw/zinc/84/39/32/559843932.db2.gz MMPFKSJFXNJCGU-UHFFFAOYSA-N 1 1 352.460 2.178 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000432924555 559867767 /nfs/dbraw/zinc/86/77/67/559867767.db2.gz MPANFXDZACMVCU-UHFFFAOYSA-N 1 1 361.402 2.192 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000432924555 559867768 /nfs/dbraw/zinc/86/77/68/559867768.db2.gz MPANFXDZACMVCU-UHFFFAOYSA-N 1 1 361.402 2.192 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433064629 559871065 /nfs/dbraw/zinc/87/10/65/559871065.db2.gz YQCUXGJWLBFCLN-KRWDZBQOSA-N 1 1 357.410 2.377 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433064629 559871066 /nfs/dbraw/zinc/87/10/66/559871066.db2.gz YQCUXGJWLBFCLN-KRWDZBQOSA-N 1 1 357.410 2.377 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000433852201 559888927 /nfs/dbraw/zinc/88/89/27/559888927.db2.gz LXBPEVGLHXEBOJ-AWEZNQCLSA-N 1 1 357.414 2.446 20 5 FEBDMO C[C@@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000434365353 559898819 /nfs/dbraw/zinc/89/88/19/559898819.db2.gz UQKLMSSKONWENY-CQSZACIVSA-N 1 1 364.446 2.408 20 5 FEBDMO C[C@@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000434365353 559898820 /nfs/dbraw/zinc/89/88/20/559898820.db2.gz UQKLMSSKONWENY-CQSZACIVSA-N 1 1 364.446 2.408 20 5 FEBDMO C[C@@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000436319266 559939751 /nfs/dbraw/zinc/93/97/51/559939751.db2.gz DHVQTIRFWBYBRK-ZIAGYGMSSA-N 1 1 364.446 2.142 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000436319262 559939757 /nfs/dbraw/zinc/93/97/57/559939757.db2.gz DHVQTIRFWBYBRK-KBPBESRZSA-N 1 1 364.446 2.142 20 5 FEBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000439479330 559995222 /nfs/dbraw/zinc/99/52/22/559995222.db2.gz TUECCOFLDIZTTK-GOSISDBHSA-N 1 1 366.414 2.395 20 5 FEBDMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)CN1CCOCC1 ZINC000444657358 560117639 /nfs/dbraw/zinc/11/76/39/560117639.db2.gz CFZGUDPKKQEDSS-UHFFFAOYSA-N 1 1 361.446 2.261 20 5 FEBDMO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(C)CN1CCOCC1 ZINC000444657358 560117640 /nfs/dbraw/zinc/11/76/40/560117640.db2.gz CFZGUDPKKQEDSS-UHFFFAOYSA-N 1 1 361.446 2.261 20 5 FEBDMO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000445140350 560129631 /nfs/dbraw/zinc/12/96/31/560129631.db2.gz SHJTVCAUXUMWGL-KGLIPLIRSA-N 1 1 370.409 2.430 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+](CCCN[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562572 560164654 /nfs/dbraw/zinc/16/46/54/560164654.db2.gz MIGMFZANJPNZBV-MAUKXSAKSA-N 1 1 360.458 2.149 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)C[NH+]1CCOCC1 ZINC000447799812 560169305 /nfs/dbraw/zinc/16/93/05/560169305.db2.gz MGMOPNVXWBVTRV-NSHDSACASA-N 1 1 371.821 2.415 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000449871612 560243419 /nfs/dbraw/zinc/24/34/19/560243419.db2.gz TWXCEGVZJNOTTP-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000450467175 560263361 /nfs/dbraw/zinc/26/33/61/560263361.db2.gz CLOCUJIRGHNEMH-ZDUSSCGKSA-N 1 1 374.441 2.433 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000450491372 560263984 /nfs/dbraw/zinc/26/39/84/560263984.db2.gz OMNIZFNSEQDORT-LBPRGKRZSA-N 1 1 353.382 2.445 20 5 FEBDMO Cc1c(Br)c(N[C@H](CO)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000450522599 560265180 /nfs/dbraw/zinc/26/51/80/560265180.db2.gz YMUDVLYQOIKRJW-NSHDSACASA-N 1 1 373.251 2.319 20 5 FEBDMO CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451548017 560313883 /nfs/dbraw/zinc/31/38/83/560313883.db2.gz LYOSBYOHTZSULR-WMZOPIPTSA-N 1 1 374.485 2.327 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571838 560315429 /nfs/dbraw/zinc/31/54/29/560315429.db2.gz QFSXCHYUAOTZNV-BLLLJJGKSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571838 560315430 /nfs/dbraw/zinc/31/54/30/560315430.db2.gz QFSXCHYUAOTZNV-BLLLJJGKSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOc1cc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000452028246 560346392 /nfs/dbraw/zinc/34/63/92/560346392.db2.gz ZLMPNWBVPSCMDQ-AWEZNQCLSA-N 1 1 350.419 2.229 20 5 FEBDMO CCOc1cc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000452028246 560346393 /nfs/dbraw/zinc/34/63/93/560346393.db2.gz ZLMPNWBVPSCMDQ-AWEZNQCLSA-N 1 1 350.419 2.229 20 5 FEBDMO COc1ccc(NC(=O)C[NH2+]C(C)(C)CN2CCCC2)c([N+](=O)[O-])c1 ZINC000452096540 560351105 /nfs/dbraw/zinc/35/11/05/560351105.db2.gz NZYGVLYDMUZVGR-UHFFFAOYSA-N 1 1 350.419 2.006 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000452112054 560351866 /nfs/dbraw/zinc/35/18/66/560351866.db2.gz DYGSQPGFUAFIFI-HNNXBMFYSA-N 1 1 362.430 2.307 20 5 FEBDMO CC(C)N1CC[C@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000452112054 560351867 /nfs/dbraw/zinc/35/18/67/560351867.db2.gz DYGSQPGFUAFIFI-HNNXBMFYSA-N 1 1 362.430 2.307 20 5 FEBDMO CC(C)N1CC[C@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000452112054 560351868 /nfs/dbraw/zinc/35/18/68/560351868.db2.gz DYGSQPGFUAFIFI-HNNXBMFYSA-N 1 1 362.430 2.307 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+](C2CC2)C1 ZINC000452164450 560354197 /nfs/dbraw/zinc/35/41/97/560354197.db2.gz NVGZPUBEGFDBPC-AWEZNQCLSA-N 1 1 369.425 2.337 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454297318 560438530 /nfs/dbraw/zinc/43/85/30/560438530.db2.gz HFQGWAYPRVGZNP-UHFFFAOYSA-N 1 1 350.419 2.277 20 5 FEBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000456170965 560509490 /nfs/dbraw/zinc/50/94/90/560509490.db2.gz CCJYNHCOXWTROY-MRXNPFEDSA-N 1 1 350.419 2.463 20 5 FEBDMO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000456170965 560509491 /nfs/dbraw/zinc/50/94/91/560509491.db2.gz CCJYNHCOXWTROY-MRXNPFEDSA-N 1 1 350.419 2.463 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456210506 560511277 /nfs/dbraw/zinc/51/12/77/560511277.db2.gz MQTUIVHRLFWZSY-BETUJISGSA-N 1 1 367.471 2.234 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456210506 560511278 /nfs/dbraw/zinc/51/12/78/560511278.db2.gz MQTUIVHRLFWZSY-BETUJISGSA-N 1 1 367.471 2.234 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000456350744 560516720 /nfs/dbraw/zinc/51/67/20/560516720.db2.gz LZWZGXCCMFNOQV-HNNXBMFYSA-N 1 1 357.414 2.337 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000457105484 560549077 /nfs/dbraw/zinc/54/90/77/560549077.db2.gz CMOXRAQIPQONPP-HNNXBMFYSA-N 1 1 357.414 2.335 20 5 FEBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000457128053 560551447 /nfs/dbraw/zinc/55/14/47/560551447.db2.gz RVXPMQZDOSUVAH-CYBMUJFWSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457132346 560551876 /nfs/dbraw/zinc/55/18/76/560551876.db2.gz URRSBNOGIVNNND-MRXNPFEDSA-N 1 1 372.429 2.039 20 5 FEBDMO COc1cc(C(=O)NCCCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1OC ZINC000457196906 560555460 /nfs/dbraw/zinc/55/54/60/560555460.db2.gz HXVDUNUEOFYHNE-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000458707676 560642331 /nfs/dbraw/zinc/64/23/31/560642331.db2.gz QISWHGBDNZJIQW-GFCCVEGCSA-N 1 1 360.418 2.002 20 5 FEBDMO Cc1noc(C2C[NH+](Cc3cn(C)nc3-c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000459602210 560697004 /nfs/dbraw/zinc/69/70/04/560697004.db2.gz DALLEMVHZGENJE-UHFFFAOYSA-N 1 1 354.370 2.286 20 5 FEBDMO CN(c1ccccc1)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000459704881 560703408 /nfs/dbraw/zinc/70/34/08/560703408.db2.gz MKXREACAUPMGBT-DNVCBOLYSA-N 1 1 357.410 2.148 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460128866 560735783 /nfs/dbraw/zinc/73/57/83/560735783.db2.gz GYZZNHJZAQJAAF-GJZGRUSLSA-N 1 1 360.414 2.126 20 5 FEBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000464819143 560852456 /nfs/dbraw/zinc/85/24/56/560852456.db2.gz AWPXWOJBKRGXRA-QGPMSJSTSA-N 1 1 352.431 2.470 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000464858489 560853570 /nfs/dbraw/zinc/85/35/70/560853570.db2.gz WWJBHZTULRILPL-BBRMVZONSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000467162130 560905267 /nfs/dbraw/zinc/90/52/67/560905267.db2.gz XREDUJMNONLDTR-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@H+]1Cc1ccccc1 ZINC000467692583 560914876 /nfs/dbraw/zinc/91/48/76/560914876.db2.gz UFVKASSTOJLVEU-GXTWGEPZSA-N 1 1 356.382 2.088 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c(C)c1[N+](=O)[O-] ZINC000468459028 560930486 /nfs/dbraw/zinc/93/04/86/560930486.db2.gz NFGFTCWMBHCRNM-AWEZNQCLSA-N 1 1 351.451 2.035 20 5 FEBDMO CC(C)[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000470140030 560975199 /nfs/dbraw/zinc/97/51/99/560975199.db2.gz HGJOSTXMAYKFAF-INIZCTEOSA-N 1 1 367.425 2.127 20 5 FEBDMO O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470284162 560977936 /nfs/dbraw/zinc/97/79/36/560977936.db2.gz DSCNRMSSQGQBCK-LJQANCHMSA-N 1 1 367.405 2.459 20 5 FEBDMO O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470284162 560977937 /nfs/dbraw/zinc/97/79/37/560977937.db2.gz DSCNRMSSQGQBCK-LJQANCHMSA-N 1 1 367.405 2.459 20 5 FEBDMO C[N@H+](CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)Cc1ccccc1 ZINC000470894802 560993073 /nfs/dbraw/zinc/99/30/73/560993073.db2.gz NHKFUJNCDQMZJR-UHFFFAOYSA-N 1 1 355.394 2.316 20 5 FEBDMO C[N@@H+](CC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)Cc1ccccc1 ZINC000470894802 560993074 /nfs/dbraw/zinc/99/30/74/560993074.db2.gz NHKFUJNCDQMZJR-UHFFFAOYSA-N 1 1 355.394 2.316 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472237470 561021650 /nfs/dbraw/zinc/02/16/50/561021650.db2.gz DHEVUEKCSLHQTF-ZBFHGGJFSA-N 1 1 350.419 2.235 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472237470 561021651 /nfs/dbraw/zinc/02/16/51/561021651.db2.gz DHEVUEKCSLHQTF-ZBFHGGJFSA-N 1 1 350.419 2.235 20 5 FEBDMO Nc1ccc(N2CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000473514923 561051669 /nfs/dbraw/zinc/05/16/69/561051669.db2.gz ZGBIADUOUZGXIK-UHFFFAOYSA-N 1 1 350.382 2.447 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000475563021 561099933 /nfs/dbraw/zinc/09/99/33/561099933.db2.gz BCXXUNJXZVVCBN-CQSZACIVSA-N 1 1 374.397 2.249 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000477021438 561134401 /nfs/dbraw/zinc/13/44/01/561134401.db2.gz AIAANPGTIMVSSS-GOEBONIOSA-N 1 1 371.441 2.453 20 5 FEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000531915467 562461357 /nfs/dbraw/zinc/46/13/57/562461357.db2.gz IFUPIZVDFASEAT-SJORKVTESA-N 1 1 362.430 2.037 20 5 FEBDMO CNc1ccc(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000532191669 562470304 /nfs/dbraw/zinc/47/03/04/562470304.db2.gz UDRSTZGRNITTJL-HOTGVXAUSA-N 1 1 362.430 2.010 20 5 FEBDMO C[C@H](O)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000532574937 562482155 /nfs/dbraw/zinc/48/21/55/562482155.db2.gz BQXKSZCGYSPHQQ-HNNXBMFYSA-N 1 1 357.410 2.441 20 5 FEBDMO C[C@H](O)C[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000532574937 562482156 /nfs/dbraw/zinc/48/21/56/562482156.db2.gz BQXKSZCGYSPHQQ-HNNXBMFYSA-N 1 1 357.410 2.441 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000533865470 562520169 /nfs/dbraw/zinc/52/01/69/562520169.db2.gz OBLQZOKKWOLNNM-AWEZNQCLSA-N 1 1 357.414 2.455 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000535740744 562566289 /nfs/dbraw/zinc/56/62/89/562566289.db2.gz YBCKUMPMRBMVON-UONOGXRCSA-N 1 1 350.419 2.098 20 5 FEBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@@H](NC(N)=O)C3)o2)c([N+](=O)[O-])c1 ZINC000535808147 562568539 /nfs/dbraw/zinc/56/85/39/562568539.db2.gz SPYGRIUBKHOVKP-LLVKDONJSA-N 1 1 360.370 2.106 20 5 FEBDMO COc1ccc(CC(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901243 562596121 /nfs/dbraw/zinc/59/61/21/562596121.db2.gz XJZYKCOOWPONSJ-IAGOWNOFSA-N 1 1 369.421 2.360 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000546063831 562633186 /nfs/dbraw/zinc/63/31/86/562633186.db2.gz RDHPSZIMWPGXPX-HNNXBMFYSA-N 1 1 367.471 2.088 20 5 FEBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCOc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC000568097610 567880444 /nfs/dbraw/zinc/88/04/44/567880444.db2.gz GCGFQSFFKHXQHP-ZDUSSCGKSA-N 1 1 356.382 2.083 20 5 FEBDMO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000569266557 568323190 /nfs/dbraw/zinc/32/31/90/568323190.db2.gz WZNFJNUVYPRRDK-CYBMUJFWSA-N 1 1 371.441 2.402 20 5 FEBDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](CS(N)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000556875634 674425555 /nfs/dbraw/zinc/42/55/55/674425555.db2.gz AHNJMEDVLMQZCA-AWEZNQCLSA-N 1 1 355.460 2.219 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000807748009 674426282 /nfs/dbraw/zinc/42/62/82/674426282.db2.gz MDXUANHWGZVMPW-ZDUSSCGKSA-N 1 1 350.375 2.416 20 5 FEBDMO COc1cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c([N+](=O)[O-])cc1OC ZINC000737045831 598275292 /nfs/dbraw/zinc/27/52/92/598275292.db2.gz PCAJXCVAZDVHKR-UHFFFAOYSA-N 1 1 370.369 2.082 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000557494478 674451026 /nfs/dbraw/zinc/45/10/26/674451026.db2.gz ZKJRJCCHGIFCSE-AAEUAGOBSA-N 1 1 350.419 2.617 20 5 FEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)C[C@@H](C)C1 ZINC000558027549 674479906 /nfs/dbraw/zinc/47/99/06/674479906.db2.gz YTMZRYZTVUJWSD-COPLHBTASA-N 1 1 350.394 2.118 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640022 607470745 /nfs/dbraw/zinc/47/07/45/607470745.db2.gz PPGIBSFZPPNHER-MLGOLLRUSA-N 1 1 369.429 2.228 20 5 FEBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810074071 674529638 /nfs/dbraw/zinc/52/96/38/674529638.db2.gz KQGJKSCGELRSEY-OAHLLOKOSA-N 1 1 351.403 2.179 20 5 FEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810074071 674529639 /nfs/dbraw/zinc/52/96/39/674529639.db2.gz KQGJKSCGELRSEY-OAHLLOKOSA-N 1 1 351.403 2.179 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821000887 606224863 /nfs/dbraw/zinc/22/48/63/606224863.db2.gz KXJSUPHBZCBIBA-OCCSQVGLSA-N 1 1 357.418 2.228 20 5 FEBDMO C[C@H](Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824669552 609316193 /nfs/dbraw/zinc/31/61/93/609316193.db2.gz DZQFKIQQXZQMGV-RYUDHWBXSA-N 1 1 372.433 2.235 20 5 FEBDMO C[C@@H](Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824669553 609316312 /nfs/dbraw/zinc/31/63/12/609316312.db2.gz DZQFKIQQXZQMGV-VXGBXAGGSA-N 1 1 372.433 2.235 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000812336788 674667705 /nfs/dbraw/zinc/66/77/05/674667705.db2.gz ZEQMEOKQBBLWRI-PWSUYJOCSA-N 1 1 355.797 2.340 20 5 FEBDMO CN(CC[N@@H+](C)C1CCCCC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000562147714 674724529 /nfs/dbraw/zinc/72/45/29/674724529.db2.gz PRJCTWDULTXUSY-UHFFFAOYSA-N 1 1 355.460 2.480 20 5 FEBDMO C[C@@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000565594314 675134913 /nfs/dbraw/zinc/13/49/13/675134913.db2.gz UFRYLSHVHGMFSE-JKSUJKDBSA-N 1 1 351.447 2.046 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000565830428 675154308 /nfs/dbraw/zinc/15/43/08/675154308.db2.gz DXTWPRVINOTSPD-CYBMUJFWSA-N 1 1 355.460 2.120 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000573639778 671146429 /nfs/dbraw/zinc/14/64/29/671146429.db2.gz XAIKRKBFLDJUSJ-MRXNPFEDSA-N 1 1 353.444 2.031 20 5 FEBDMO CC(C)[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457791 671370187 /nfs/dbraw/zinc/37/01/87/671370187.db2.gz RNUJHHIMANIWSI-RDJZCZTQSA-N 1 1 351.447 2.045 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457791 671370190 /nfs/dbraw/zinc/37/01/90/671370190.db2.gz RNUJHHIMANIWSI-RDJZCZTQSA-N 1 1 351.447 2.045 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000609269721 675916293 /nfs/dbraw/zinc/91/62/93/675916293.db2.gz WDQHVSPFIDGZSN-CYBMUJFWSA-N 1 1 353.444 2.157 20 5 FEBDMO CCc1noc(CC)c1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000579701624 671754349 /nfs/dbraw/zinc/75/43/49/671754349.db2.gz JOLQUVNWEAGVCF-UHFFFAOYSA-N 1 1 367.427 2.271 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CCO)C1 ZINC000609848422 675939139 /nfs/dbraw/zinc/93/91/39/675939139.db2.gz IVWZFDAIWAUXKE-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CCO)C1 ZINC000609848422 675939142 /nfs/dbraw/zinc/93/91/42/675939142.db2.gz IVWZFDAIWAUXKE-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H](CNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000151434332 672163083 /nfs/dbraw/zinc/16/30/83/672163083.db2.gz AFMDDSQTIAFKCK-NSHDSACASA-N 1 1 356.810 2.338 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CCC[N@H+](C)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000584408059 672185329 /nfs/dbraw/zinc/18/53/29/672185329.db2.gz UISKGSOKEIEGMO-CQSZACIVSA-N 1 1 355.460 2.262 20 5 FEBDMO O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891247 676003963 /nfs/dbraw/zinc/00/39/63/676003963.db2.gz DQIDAKDKNQZHHL-UHFFFAOYSA-N 1 1 365.455 2.392 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088326 676016475 /nfs/dbraw/zinc/01/64/75/676016475.db2.gz PQWNJNBNQSDWCI-CYBMUJFWSA-N 1 1 367.471 2.389 20 5 FEBDMO CC[N@H+]1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000611088326 676016476 /nfs/dbraw/zinc/01/64/76/676016476.db2.gz PQWNJNBNQSDWCI-CYBMUJFWSA-N 1 1 367.471 2.389 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000611087829 676016169 /nfs/dbraw/zinc/01/61/69/676016169.db2.gz MWGXAQPIUOHMFX-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000611087829 676016172 /nfs/dbraw/zinc/01/61/72/676016172.db2.gz MWGXAQPIUOHMFX-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO COCCOC1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589497890 672529378 /nfs/dbraw/zinc/52/93/78/672529378.db2.gz GAOGSXAQNJQYDL-UHFFFAOYSA-N 1 1 352.387 2.009 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000590045722 672555814 /nfs/dbraw/zinc/55/58/14/672555814.db2.gz TYWBXCJSCOJPSQ-BXUZGUMPSA-N 1 1 368.231 2.062 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)OCCO2 ZINC000590662205 672599619 /nfs/dbraw/zinc/59/96/19/672599619.db2.gz RLKDYEWEEVBEIJ-OTYXRUKQSA-N 1 1 362.304 2.111 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1)OCCO2 ZINC000590662205 672599623 /nfs/dbraw/zinc/59/96/23/672599623.db2.gz RLKDYEWEEVBEIJ-OTYXRUKQSA-N 1 1 362.304 2.111 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194335944 672756711 /nfs/dbraw/zinc/75/67/11/672756711.db2.gz BOJPOWFFRISMAI-GFCCVEGCSA-N 1 1 359.423 2.277 20 5 FEBDMO CCCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC000592300710 672783261 /nfs/dbraw/zinc/78/32/61/672783261.db2.gz XTIXGFTXMPNPBK-GFCCVEGCSA-N 1 1 368.821 2.129 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593337140 672909924 /nfs/dbraw/zinc/90/99/24/672909924.db2.gz CQIMFGBOBSKEOQ-UHFFFAOYSA-N 1 1 367.471 2.256 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593337140 672909927 /nfs/dbraw/zinc/90/99/27/672909927.db2.gz CQIMFGBOBSKEOQ-UHFFFAOYSA-N 1 1 367.471 2.256 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000594799808 673147289 /nfs/dbraw/zinc/14/72/89/673147289.db2.gz RXCIJFVYWRHWKZ-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CCN1CCN(C)CC1 ZINC000595031721 673187918 /nfs/dbraw/zinc/18/79/18/673187918.db2.gz CBMXTMCEHJWUGG-GJZGRUSLSA-N 1 1 350.463 2.280 20 5 FEBDMO C[NH2+][C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1Cl ZINC000595250196 673213733 /nfs/dbraw/zinc/21/37/33/673213733.db2.gz MKBMGCBVCGAKCF-CYBMUJFWSA-N 1 1 372.212 2.175 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595294901 673218056 /nfs/dbraw/zinc/21/80/56/673218056.db2.gz UHYSGJZAAUYCJR-GXTWGEPZSA-N 1 1 353.394 2.097 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595410454 673245759 /nfs/dbraw/zinc/24/57/59/673245759.db2.gz MHGPVFDLXBUIRT-HNNXBMFYSA-N 1 1 367.471 2.304 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000595779758 673324667 /nfs/dbraw/zinc/32/46/67/673324667.db2.gz HUZZXNOZDDLZQX-OLZOCXBDSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595815329 673327514 /nfs/dbraw/zinc/32/75/14/673327514.db2.gz OEQSZMKDAHVZMU-GDBMZVCRSA-N 1 1 350.415 2.368 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596085184 673357086 /nfs/dbraw/zinc/35/70/86/673357086.db2.gz CKYTXIFJSXPRGX-XQQFMLRXSA-N 1 1 370.475 2.021 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000596145995 673362962 /nfs/dbraw/zinc/36/29/62/673362962.db2.gz JLPIZVJGQWXTKR-STQMWFEESA-N 1 1 370.475 2.178 20 5 FEBDMO CCN(C(=O)NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CC[N@@H+](CC)C1 ZINC000596181021 673365691 /nfs/dbraw/zinc/36/56/91/673365691.db2.gz VPWCHHUCUZHZDU-HNNXBMFYSA-N 1 1 350.419 2.229 20 5 FEBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596476331 673388498 /nfs/dbraw/zinc/38/84/98/673388498.db2.gz CRZOAIWDQJQALS-LBPRGKRZSA-N 1 1 368.459 2.061 20 5 FEBDMO C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597579023 673489719 /nfs/dbraw/zinc/48/97/19/673489719.db2.gz LJBVVBMZNHSRAY-KNXALSJPSA-N 1 1 353.369 2.482 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])cc1F ZINC000597709991 673501485 /nfs/dbraw/zinc/50/14/85/673501485.db2.gz FXVVAQXLUCEPTE-QGZVFWFLSA-N 1 1 351.378 2.300 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000597926035 673518552 /nfs/dbraw/zinc/51/85/52/673518552.db2.gz ZUJJFJCJSABFHX-GFCCVEGCSA-N 1 1 367.471 2.282 20 5 FEBDMO COCC1(C)CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000540199752 673527608 /nfs/dbraw/zinc/52/76/08/673527608.db2.gz UEGJCVDFDFNQNM-UHFFFAOYSA-N 1 1 351.403 2.290 20 5 FEBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1csc([N+](=O)[O-])c1 ZINC000597991785 673527650 /nfs/dbraw/zinc/52/76/50/673527650.db2.gz RDYHDONWSWBMDP-HNNXBMFYSA-N 1 1 361.423 2.153 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000542855287 673610627 /nfs/dbraw/zinc/61/06/27/673610627.db2.gz COWWBDOGJUDUAM-JOYOIKCWSA-N 1 1 355.341 2.409 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000598967703 673625696 /nfs/dbraw/zinc/62/56/96/673625696.db2.gz SIHQWQQRDAEPIO-ZDUSSCGKSA-N 1 1 350.419 2.135 20 5 FEBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599125866 673635268 /nfs/dbraw/zinc/63/52/68/673635268.db2.gz DUFWYJXLDBAALU-CQSZACIVSA-N 1 1 368.459 2.061 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000599390010 673667961 /nfs/dbraw/zinc/66/79/61/673667961.db2.gz GEHFQVTUMDOHIJ-KRWDZBQOSA-N 1 1 367.471 2.421 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599391614 673668381 /nfs/dbraw/zinc/66/83/81/673668381.db2.gz OGKOZOBALHEJLN-AWEZNQCLSA-N 1 1 353.444 2.280 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1C ZINC000599412447 673672032 /nfs/dbraw/zinc/67/20/32/673672032.db2.gz ITBPWMZDUWJVIG-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000599416930 673672872 /nfs/dbraw/zinc/67/28/72/673672872.db2.gz YQZRLELZIMEIFK-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO CCC(O)(CC)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000599673960 673704982 /nfs/dbraw/zinc/70/49/82/673704982.db2.gz WYXGIDHSLVMOGZ-LBPRGKRZSA-N 1 1 353.419 2.413 20 5 FEBDMO CC(C)Oc1cc(C(=O)N2CC[NH+](CCCF)CC2)ccc1[N+](=O)[O-] ZINC000600075994 673738765 /nfs/dbraw/zinc/73/87/65/673738765.db2.gz GMWLGMJQDUBGDC-UHFFFAOYSA-N 1 1 353.394 2.499 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000600212847 673749631 /nfs/dbraw/zinc/74/96/31/673749631.db2.gz IJKMZFWDZWXOEQ-IDJPSDCMSA-N 1 1 367.471 2.259 20 5 FEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000601439115 673862437 /nfs/dbraw/zinc/86/24/37/673862437.db2.gz BZBKSAHTJQYMSO-NSHDSACASA-N 1 1 361.851 2.353 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000601461294 673866312 /nfs/dbraw/zinc/86/63/12/673866312.db2.gz AKCDANKGMQCPFU-NSHDSACASA-N 1 1 361.489 2.363 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000746670432 673889321 /nfs/dbraw/zinc/88/93/21/673889321.db2.gz GXBFJOWCVTXZCT-INIZCTEOSA-N 1 1 352.866 2.460 20 5 FEBDMO CCCC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC ZINC000602611853 673908805 /nfs/dbraw/zinc/90/88/05/673908805.db2.gz LVJVWRLZKJMZOT-OAHLLOKOSA-N 1 1 350.419 2.280 20 5 FEBDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602767097 673910934 /nfs/dbraw/zinc/91/09/34/673910934.db2.gz VSJWRVHYDUISJO-DZGCQCFKSA-N 1 1 351.451 2.117 20 5 FEBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000603109710 673917262 /nfs/dbraw/zinc/91/72/62/673917262.db2.gz FJAZQRUERQYRCT-LSDHHAIUSA-N 1 1 367.833 2.477 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000603109709 673917470 /nfs/dbraw/zinc/91/74/70/673917470.db2.gz FJAZQRUERQYRCT-HUUCEWRRSA-N 1 1 367.833 2.477 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000566524130 675221347 /nfs/dbraw/zinc/22/13/47/675221347.db2.gz QIYBDXKFVVBPQD-UHFFFAOYSA-N 1 1 350.467 2.090 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000821512341 675438880 /nfs/dbraw/zinc/43/88/80/675438880.db2.gz AKOCOZNKWQAAME-UHFFFAOYSA-N 1 1 357.842 2.253 20 5 FEBDMO CN(CCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)CC[NH+](C)C ZINC000821512341 675438882 /nfs/dbraw/zinc/43/88/82/675438882.db2.gz AKOCOZNKWQAAME-UHFFFAOYSA-N 1 1 357.842 2.253 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(C)c2F)CC1 ZINC000824031668 675580794 /nfs/dbraw/zinc/58/07/94/675580794.db2.gz SCWYOGLIXRXYMH-UHFFFAOYSA-N 1 1 353.394 2.225 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000825769640 675668140 /nfs/dbraw/zinc/66/81/40/675668140.db2.gz AKNMFNMPUFDBAC-GFCCVEGCSA-N 1 1 350.394 2.014 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000828337798 675814030 /nfs/dbraw/zinc/81/40/30/675814030.db2.gz BNXBCKOVNYSINX-NXEZZACHSA-N 1 1 368.821 2.371 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000828337798 675814034 /nfs/dbraw/zinc/81/40/34/675814034.db2.gz BNXBCKOVNYSINX-NXEZZACHSA-N 1 1 368.821 2.371 20 5 FEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000829563249 675883418 /nfs/dbraw/zinc/88/34/18/675883418.db2.gz BGSABIWNESBHPE-DTWKUNHWSA-N 1 1 356.785 2.278 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000619569960 676385451 /nfs/dbraw/zinc/38/54/51/676385451.db2.gz XKQFRZRGXZWPJD-UHFFFAOYSA-N 1 1 364.427 2.345 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c(OC(F)F)c1 ZINC000760453589 680688188 /nfs/dbraw/zinc/68/81/88/680688188.db2.gz GKWKYCGOFRJWCI-ZDUSSCGKSA-N 1 1 357.357 2.497 20 5 FEBDMO O=C(CC[N@@H+]1CCCC[C@@H]1C1(O)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000839145169 680741469 /nfs/dbraw/zinc/74/14/69/680741469.db2.gz ZKVNKNZQUSHDGZ-OAHLLOKOSA-N 1 1 351.378 2.442 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839555285 680761326 /nfs/dbraw/zinc/76/13/26/680761326.db2.gz JPFSUHRDNVHXIQ-NSHDSACASA-N 1 1 368.821 2.177 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)[C@@H](C)C1 ZINC000839565137 680762214 /nfs/dbraw/zinc/76/22/14/680762214.db2.gz YVGQNYWMWHBQOB-NWDGAFQWSA-N 1 1 372.263 2.244 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839665532 680770179 /nfs/dbraw/zinc/77/01/79/680770179.db2.gz HZPKQJABMHLIFM-MRXNPFEDSA-N 1 1 369.805 2.462 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839665532 680770180 /nfs/dbraw/zinc/77/01/80/680770180.db2.gz HZPKQJABMHLIFM-MRXNPFEDSA-N 1 1 369.805 2.462 20 5 FEBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768441439 680947032 /nfs/dbraw/zinc/94/70/32/680947032.db2.gz IKQYUNUNMJXSLY-VHSXEESVSA-N 1 1 356.220 2.443 20 5 FEBDMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000840723144 680839633 /nfs/dbraw/zinc/83/96/33/680839633.db2.gz ULODMGUNMIJXOU-SKDRFNHKSA-N 1 1 351.384 2.222 20 5 FEBDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000747960342 679916272 /nfs/dbraw/zinc/91/62/72/679916272.db2.gz ZLXRISGXCZLFNL-ZDUSSCGKSA-N 1 1 353.423 2.028 20 5 FEBDMO Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)sc1C(C)(C)C ZINC001022063475 680193120 /nfs/dbraw/zinc/19/31/20/680193120.db2.gz BWUXQMMXNPXHHS-YVECIDJPSA-N 1 1 366.487 2.151 20 5 FEBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(C(F)F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983654381 680318404 /nfs/dbraw/zinc/31/84/04/680318404.db2.gz MYWOWJCOOURPGJ-NMFUWQPSSA-N 1 1 353.369 2.274 20 5 FEBDMO C[N@H+](Cc1ccnc(Cl)c1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964482 680394200 /nfs/dbraw/zinc/39/42/00/680394200.db2.gz LEBSBVKNTLYZMF-HUUCEWRRSA-N 1 1 366.849 2.071 20 5 FEBDMO C[N@@H+](Cc1ccnc(Cl)c1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964482 680394204 /nfs/dbraw/zinc/39/42/04/680394204.db2.gz LEBSBVKNTLYZMF-HUUCEWRRSA-N 1 1 366.849 2.071 20 5 FEBDMO C[N@H+](Cc1ccnc(Cl)c1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964482 680394208 /nfs/dbraw/zinc/39/42/08/680394208.db2.gz LEBSBVKNTLYZMF-HUUCEWRRSA-N 1 1 366.849 2.071 20 5 FEBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc(O)ccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034644980 680436512 /nfs/dbraw/zinc/43/65/12/680436512.db2.gz OUXLSUOBOQBANR-ZNEHSRBWSA-N 1 1 367.833 2.228 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000836711792 680502818 /nfs/dbraw/zinc/50/28/18/680502818.db2.gz XQFNDSXQIFWMKB-NSHDSACASA-N 1 1 355.822 2.255 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000759109471 680627402 /nfs/dbraw/zinc/62/74/02/680627402.db2.gz XMKQQIZVUWQYGA-DGCLKSJQSA-N 1 1 373.450 2.441 20 5 FEBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768441439 680947031 /nfs/dbraw/zinc/94/70/31/680947031.db2.gz IKQYUNUNMJXSLY-VHSXEESVSA-N 1 1 356.220 2.443 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000768712161 680955827 /nfs/dbraw/zinc/95/58/27/680955827.db2.gz KDUZPUXGWUFQLD-ZDUSSCGKSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000768712161 680955828 /nfs/dbraw/zinc/95/58/28/680955828.db2.gz KDUZPUXGWUFQLD-ZDUSSCGKSA-N 1 1 366.849 2.147 20 5 FEBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000842826468 680969936 /nfs/dbraw/zinc/96/99/36/680969936.db2.gz SAEHBDWNBYEPHQ-LLVKDONJSA-N 1 1 361.851 2.319 20 5 FEBDMO Cc1c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000769141884 680972418 /nfs/dbraw/zinc/97/24/18/680972418.db2.gz PLOBYFJHVVYTMT-NXEZZACHSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000769141884 680972420 /nfs/dbraw/zinc/97/24/20/680972420.db2.gz PLOBYFJHVVYTMT-NXEZZACHSA-N 1 1 350.375 2.284 20 5 FEBDMO COc1cc(OCC(=O)OC[C@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000845736636 681149630 /nfs/dbraw/zinc/14/96/30/681149630.db2.gz WRZCRCZGFZPOTB-GFCCVEGCSA-N 1 1 352.387 2.398 20 5 FEBDMO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])CC[C@@H]3C2)cs1 ZINC000946589366 681244714 /nfs/dbraw/zinc/24/47/14/681244714.db2.gz VQWKBPUIVNZDLY-YYIAUSFCSA-N 1 1 363.483 2.392 20 5 FEBDMO Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)cs1 ZINC000946589366 681244719 /nfs/dbraw/zinc/24/47/19/681244719.db2.gz VQWKBPUIVNZDLY-YYIAUSFCSA-N 1 1 363.483 2.392 20 5 FEBDMO Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC4[N+](=O)[O-])CC[C@@H]3C2)cs1 ZINC000946589366 681244722 /nfs/dbraw/zinc/24/47/22/681244722.db2.gz VQWKBPUIVNZDLY-YYIAUSFCSA-N 1 1 363.483 2.392 20 5 FEBDMO Nc1c(C(=O)N2CC[NH+](C3CCC3)CC2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000932762613 681304155 /nfs/dbraw/zinc/30/41/55/681304155.db2.gz XGTCFNGEZQMCBG-UHFFFAOYSA-N 1 1 356.785 2.280 20 5 FEBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591693 681412414 /nfs/dbraw/zinc/41/24/14/681412414.db2.gz FVHIDECTWPLNKJ-SWLSCSKDSA-N 1 1 353.419 2.473 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2C[C@H]3CC[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000916663373 685526710 /nfs/dbraw/zinc/52/67/10/685526710.db2.gz CLHAROMORLKDFT-NEPJUHHUSA-N 1 1 373.862 2.129 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000917654450 685533516 /nfs/dbraw/zinc/53/35/16/685533516.db2.gz HBSQUDUNXVAQJH-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO CCC[N@@H+]1CC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000853905568 682487385 /nfs/dbraw/zinc/48/73/85/682487385.db2.gz DLGNIGROVFIMLX-JTQLQIEISA-N 1 1 363.386 2.487 20 5 FEBDMO CCC[N@H+]1CC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000853905568 682487386 /nfs/dbraw/zinc/48/73/86/682487386.db2.gz DLGNIGROVFIMLX-JTQLQIEISA-N 1 1 363.386 2.487 20 5 FEBDMO C[C@@H](C[NH+]1CCOCC1)N(C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000788377984 682526195 /nfs/dbraw/zinc/52/61/95/682526195.db2.gz PHNQXXNCJOGLOH-LBPRGKRZSA-N 1 1 366.443 2.482 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000854639585 682573955 /nfs/dbraw/zinc/57/39/55/682573955.db2.gz COMLDTARUGXDSK-HUUCEWRRSA-N 1 1 353.806 2.183 20 5 FEBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000854740006 682588053 /nfs/dbraw/zinc/58/80/53/682588053.db2.gz ZGMACXLVQYFPHP-KRWDZBQOSA-N 1 1 351.378 2.057 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790537929 682684302 /nfs/dbraw/zinc/68/43/02/682684302.db2.gz CUOPMQGEHPSZAE-UHFFFAOYSA-N 1 1 361.801 2.014 20 5 FEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](CCS(=O)(=O)C3CCCCC3)CC2)n1 ZINC000856739467 682802481 /nfs/dbraw/zinc/80/24/81/682802481.db2.gz ARGOWGVSRCNARO-UHFFFAOYSA-N 1 1 370.475 2.176 20 5 FEBDMO CC(C)(NC(=S)NCCC[NH+]1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000793310422 682879780 /nfs/dbraw/zinc/87/97/80/682879780.db2.gz YZDXUWKYYOJAFJ-UHFFFAOYSA-N 1 1 366.487 2.016 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928080841 683373384 /nfs/dbraw/zinc/37/33/84/683373384.db2.gz QNSPRGUWAASWMZ-TZMCWYRMSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928080841 683373392 /nfs/dbraw/zinc/37/33/92/683373392.db2.gz QNSPRGUWAASWMZ-TZMCWYRMSA-N 1 1 353.419 2.352 20 5 FEBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000861713519 683459861 /nfs/dbraw/zinc/45/98/61/683459861.db2.gz DBFXWKFYAVMWHH-MNOVXSKESA-N 1 1 374.224 2.183 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000861986998 683510442 /nfs/dbraw/zinc/51/04/42/683510442.db2.gz SEWIRJPKTXRGQI-UHFFFAOYSA-N 1 1 351.378 2.061 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C(C)(C)C1 ZINC000862134109 683534783 /nfs/dbraw/zinc/53/47/83/683534783.db2.gz HNVWHAMQILPZTR-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)C(C)(C)C1 ZINC000862134109 683534787 /nfs/dbraw/zinc/53/47/87/683534787.db2.gz HNVWHAMQILPZTR-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000921681313 683542115 /nfs/dbraw/zinc/54/21/15/683542115.db2.gz UTXZORLSZAMKMJ-HZPDHXFCSA-N 1 1 364.471 2.016 20 5 FEBDMO COc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000930768800 683781903 /nfs/dbraw/zinc/78/19/03/683781903.db2.gz JYZPQANCYJFJIX-GXTWGEPZSA-N 1 1 366.443 2.305 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000864961752 683914771 /nfs/dbraw/zinc/91/47/71/683914771.db2.gz DVSPHNRJIQIWIC-GFCCVEGCSA-N 1 1 370.247 2.358 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815192 684397922 /nfs/dbraw/zinc/39/79/22/684397922.db2.gz YVCNHQJSXBJMTH-RISCZKNCSA-N 1 1 373.862 2.271 20 5 FEBDMO C[C@H]([C@H](C)NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000932055766 684398840 /nfs/dbraw/zinc/39/88/40/684398840.db2.gz WKOVEAVYWFIMFQ-QWHCGFSZSA-N 1 1 369.849 2.406 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925147021 684529298 /nfs/dbraw/zinc/52/92/98/684529298.db2.gz ZAMNLEQALXBOIP-ZBFHGGJFSA-N 1 1 364.471 2.316 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925147015 684529383 /nfs/dbraw/zinc/52/93/83/684529383.db2.gz ZAMNLEQALXBOIP-GDBMZVCRSA-N 1 1 364.471 2.316 20 5 FEBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925777347 684584650 /nfs/dbraw/zinc/58/46/50/684584650.db2.gz DMHYQUUUFKQGQE-NEPJUHHUSA-N 1 1 356.373 2.146 20 5 FEBDMO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000925777347 684584653 /nfs/dbraw/zinc/58/46/53/684584653.db2.gz DMHYQUUUFKQGQE-NEPJUHHUSA-N 1 1 356.373 2.146 20 5 FEBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000872662515 684999515 /nfs/dbraw/zinc/99/95/15/684999515.db2.gz FMTOVSYDBOPYGO-RYUDHWBXSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000872662515 684999517 /nfs/dbraw/zinc/99/95/17/684999517.db2.gz FMTOVSYDBOPYGO-RYUDHWBXSA-N 1 1 359.835 2.105 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000872663168 685000402 /nfs/dbraw/zinc/00/04/02/685000402.db2.gz JAXICSJSWDOPSV-LSDHHAIUSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000872663168 685000404 /nfs/dbraw/zinc/00/04/04/685000404.db2.gz JAXICSJSWDOPSV-LSDHHAIUSA-N 1 1 353.444 2.014 20 5 FEBDMO C[C@]([NH3+])(C(=O)N1CCO[C@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000876627474 686232060 /nfs/dbraw/zinc/23/20/60/686232060.db2.gz HXPKVMLZKAGODI-WMLDXEAASA-N 1 1 361.423 2.430 20 5 FEBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481810 686387762 /nfs/dbraw/zinc/38/77/62/686387762.db2.gz SXRAFDXKZMTDTP-CVEARBPZSA-N 1 1 352.431 2.057 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1F ZINC000878871659 686679618 /nfs/dbraw/zinc/67/96/18/686679618.db2.gz RURAVLDEZTZHKW-HNNXBMFYSA-N 1 1 369.462 2.374 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](OC)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000879320620 686794560 /nfs/dbraw/zinc/79/45/60/686794560.db2.gz HXYRZBHBXVYTDA-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000879709156 686892700 /nfs/dbraw/zinc/89/27/00/686892700.db2.gz TYCBOKNCNUBCDW-UHFFFAOYSA-N 1 1 351.403 2.051 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[NH+]2CCC1CC2 ZINC000882115286 687306593 /nfs/dbraw/zinc/30/65/93/687306593.db2.gz XGPPCVJYQJVYFZ-UHFFFAOYSA-N 1 1 359.835 2.025 20 5 FEBDMO COCC[N@@H+]1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883287798 687599368 /nfs/dbraw/zinc/59/93/68/687599368.db2.gz GTHVGFCNASOVIH-CYBMUJFWSA-N 1 1 358.236 2.168 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883287798 687599375 /nfs/dbraw/zinc/59/93/75/687599375.db2.gz GTHVGFCNASOVIH-CYBMUJFWSA-N 1 1 358.236 2.168 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000885455925 688077234 /nfs/dbraw/zinc/07/72/34/688077234.db2.gz TVTMWPQFQRXCTN-NEPJUHHUSA-N 1 1 373.862 2.496 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000885870167 688174067 /nfs/dbraw/zinc/17/40/67/688174067.db2.gz YQKPOFMJRRRMHR-AWEZNQCLSA-N 1 1 353.806 2.231 20 5 FEBDMO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885889114 688179134 /nfs/dbraw/zinc/17/91/34/688179134.db2.gz XHYFOBRCDCYSLZ-CYBMUJFWSA-N 1 1 351.378 2.025 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(Cl)cc2c1N1CCC[N@H+](CCO)CC1 ZINC000892338113 689182839 /nfs/dbraw/zinc/18/28/39/689182839.db2.gz OAQVRVFAMRYDJO-UHFFFAOYSA-N 1 1 350.806 2.301 20 5 FEBDMO C[C@@H](Nc1c(Br)cccc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895246454 689683409 /nfs/dbraw/zinc/68/34/09/689683409.db2.gz BTCJVGMKIWQYAF-ZWNOBZJWSA-N 1 1 357.252 2.404 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000895356173 689701267 /nfs/dbraw/zinc/70/12/67/689701267.db2.gz TYWIBWJXVQSULL-UHFFFAOYSA-N 1 1 360.741 2.315 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000897220084 689990233 /nfs/dbraw/zinc/99/02/33/689990233.db2.gz SCUZHTNCSMRRFN-STQMWFEESA-N 1 1 370.247 2.393 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897220084 689990237 /nfs/dbraw/zinc/99/02/37/689990237.db2.gz SCUZHTNCSMRRFN-STQMWFEESA-N 1 1 370.247 2.393 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1[O-] ZINC000903975259 690990900 /nfs/dbraw/zinc/99/09/00/690990900.db2.gz ZYVABHDSBUPXOT-ZDUSSCGKSA-N 1 1 355.822 2.202 20 5 FEBDMO COCC[N@H+]1CC[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000906620218 691293056 /nfs/dbraw/zinc/29/30/56/691293056.db2.gz YXDSJZFPFZFAAC-CYBMUJFWSA-N 1 1 355.822 2.018 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)CCCC[NH+]1CCOCC1 ZINC000908282709 691651292 /nfs/dbraw/zinc/65/12/92/691651292.db2.gz VDIHRDDKYFAWFI-UHFFFAOYSA-N 1 1 351.403 2.435 20 5 FEBDMO COc1ncnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164629830 719077502 /nfs/dbraw/zinc/07/75/02/719077502.db2.gz ZIXFUJAZFBACGG-HOTGVXAUSA-N 1 1 369.425 2.494 20 5 FEBDMO COc1nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)ccc1[N+](=O)[O-] ZINC001164648206 719308444 /nfs/dbraw/zinc/30/84/44/719308444.db2.gz QMTWZDBTJRYUST-UHFFFAOYSA-N 1 1 374.445 2.400 20 5 FEBDMO C[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000485411767 719483021 /nfs/dbraw/zinc/48/30/21/719483021.db2.gz LOSGJIKHLAIZER-HZPDHXFCSA-N 1 1 358.373 2.315 20 5 FEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC001164811019 720073849 /nfs/dbraw/zinc/07/38/49/720073849.db2.gz NAMFEHMGNKLUSM-QFBILLFUSA-N 1 1 360.458 2.483 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccco1 ZINC000032482371 539941112 /nfs/dbraw/zinc/94/11/12/539941112.db2.gz DLIJPWFHSXVJRZ-INIZCTEOSA-N 1 1 369.381 2.406 20 5 FEBDMO Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000043147949 540091251 /nfs/dbraw/zinc/09/12/51/540091251.db2.gz VNSXHHGEIAWWDZ-INIZCTEOSA-N 1 1 350.419 2.382 20 5 FEBDMO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCN(c2ccccc2)CC1 ZINC000046593192 540262633 /nfs/dbraw/zinc/26/26/33/540262633.db2.gz DVKMPGDGMRHISI-AWEZNQCLSA-N 1 1 358.398 2.128 20 5 FEBDMO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047744835 540326753 /nfs/dbraw/zinc/32/67/53/540326753.db2.gz XSJGFGOIWRZPEQ-LJQANCHMSA-N 1 1 371.437 2.465 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051003164 540419124 /nfs/dbraw/zinc/41/91/24/540419124.db2.gz NTNZHTAUAAOKED-KBPBESRZSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000051003164 540419120 /nfs/dbraw/zinc/41/91/20/540419120.db2.gz NTNZHTAUAAOKED-KBPBESRZSA-N 1 1 362.430 2.160 20 5 FEBDMO CC(C)NC(=O)C[N@@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000051793008 540444407 /nfs/dbraw/zinc/44/44/07/540444407.db2.gz KCZMWFPMCBKLIO-UHFFFAOYSA-N 1 1 371.441 2.180 20 5 FEBDMO CC(C)NC(=O)C[N@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000051793008 540444411 /nfs/dbraw/zinc/44/44/11/540444411.db2.gz KCZMWFPMCBKLIO-UHFFFAOYSA-N 1 1 371.441 2.180 20 5 FEBDMO Cc1c(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000052134627 540455716 /nfs/dbraw/zinc/45/57/16/540455716.db2.gz KKOGWRQZBNBNHJ-OAHLLOKOSA-N 1 1 355.460 2.197 20 5 FEBDMO Cc1c(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000052134628 540455993 /nfs/dbraw/zinc/45/59/93/540455993.db2.gz KKOGWRQZBNBNHJ-HNNXBMFYSA-N 1 1 355.460 2.197 20 5 FEBDMO Cc1noc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862431 540495055 /nfs/dbraw/zinc/49/50/55/540495055.db2.gz HIEVGHHEEPJQRV-CYBMUJFWSA-N 1 1 359.386 2.494 20 5 FEBDMO CCOC(=O)N[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000052870050 540496125 /nfs/dbraw/zinc/49/61/25/540496125.db2.gz NFNIEOLVFQORBG-CYBMUJFWSA-N 1 1 364.402 2.134 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929406 540500830 /nfs/dbraw/zinc/50/08/30/540500830.db2.gz ZWETYWYQDNRVQH-HIFRSBDPSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929406 540500832 /nfs/dbraw/zinc/50/08/32/540500832.db2.gz ZWETYWYQDNRVQH-HIFRSBDPSA-N 1 1 374.441 2.160 20 5 FEBDMO CCOc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC)c([N+](=O)[O-])cc1OC ZINC000053275155 540523373 /nfs/dbraw/zinc/52/33/73/540523373.db2.gz ZAWGWYHEYRIVRM-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)C1 ZINC000053144518 540513417 /nfs/dbraw/zinc/51/34/17/540513417.db2.gz UBVYHNOSXYJULV-OAHLLOKOSA-N 1 1 371.441 2.340 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000054150937 540572243 /nfs/dbraw/zinc/57/22/43/540572243.db2.gz YFLJKXNEWLUINM-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000054150937 540572247 /nfs/dbraw/zinc/57/22/47/540572247.db2.gz YFLJKXNEWLUINM-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO COCCC[N@@H+](CCOC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000063550007 541173400 /nfs/dbraw/zinc/17/34/00/541173400.db2.gz ACVRUVODLDYCKV-UHFFFAOYSA-N 1 1 353.419 2.217 20 5 FEBDMO CCC[NH+]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000064113132 541194674 /nfs/dbraw/zinc/19/46/74/541194674.db2.gz PGWZUJWFJORICT-UHFFFAOYSA-N 1 1 357.414 2.091 20 5 FEBDMO CC(C)[C@H](CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)[NH+]1CCOCC1 ZINC000065722620 541255399 /nfs/dbraw/zinc/25/53/99/541255399.db2.gz NODIGPWRBLGQJC-SFHVURJKSA-N 1 1 374.441 2.023 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065901462 541269903 /nfs/dbraw/zinc/26/99/03/541269903.db2.gz VTHIAMPAOMPXFE-QGZVFWFLSA-N 1 1 371.441 2.128 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000067149264 541425353 /nfs/dbraw/zinc/42/53/53/541425353.db2.gz RVSUYLQJORKULL-CQSZACIVSA-N 1 1 372.429 2.026 20 5 FEBDMO CCCc1n[nH]c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000068229340 541566539 /nfs/dbraw/zinc/56/65/39/541566539.db2.gz PMZIRRPVCOWFBP-CYBMUJFWSA-N 1 1 361.402 2.430 20 5 FEBDMO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072665265 541847188 /nfs/dbraw/zinc/84/71/88/541847188.db2.gz BQJNTZSBHOGNDS-HIFRSBDPSA-N 1 1 373.457 2.266 20 5 FEBDMO C[C@H](C1CC1)N(C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000072665265 541847190 /nfs/dbraw/zinc/84/71/90/541847190.db2.gz BQJNTZSBHOGNDS-HIFRSBDPSA-N 1 1 373.457 2.266 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000072989717 541904456 /nfs/dbraw/zinc/90/44/56/541904456.db2.gz PQEUGBUGHRWWOD-MRXNPFEDSA-N 1 1 363.439 2.484 20 5 FEBDMO C[NH+](C)Cc1ccccc1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000074113873 542039255 /nfs/dbraw/zinc/03/92/55/542039255.db2.gz HCRDAZIXQOPBCG-UHFFFAOYSA-N 1 1 353.382 2.463 20 5 FEBDMO NC(=O)c1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000074311916 542067327 /nfs/dbraw/zinc/06/73/27/542067327.db2.gz IINGHOMLLVEHGE-QGZVFWFLSA-N 1 1 355.394 2.176 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000074311916 542067330 /nfs/dbraw/zinc/06/73/30/542067330.db2.gz IINGHOMLLVEHGE-QGZVFWFLSA-N 1 1 355.394 2.176 20 5 FEBDMO Cc1n[nH]c(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447272 542084985 /nfs/dbraw/zinc/08/49/85/542084985.db2.gz GTRHTPBJJHAGHT-HNNXBMFYSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447272 542084989 /nfs/dbraw/zinc/08/49/89/542084989.db2.gz GTRHTPBJJHAGHT-HNNXBMFYSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000074447272 542084992 /nfs/dbraw/zinc/08/49/92/542084992.db2.gz GTRHTPBJJHAGHT-HNNXBMFYSA-N 1 1 357.414 2.363 20 5 FEBDMO C[C@@H]1SCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1ccccc1 ZINC000075749171 542202708 /nfs/dbraw/zinc/20/27/08/542202708.db2.gz AIUQNMWDVLXJOP-JQFCIGGWSA-N 1 1 362.455 2.331 20 5 FEBDMO CS(=O)(=O)c1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c([N+](=O)[O-])c1 ZINC000075721771 542201299 /nfs/dbraw/zinc/20/12/99/542201299.db2.gz ZERVSNGPGNEQPA-NSHDSACASA-N 1 1 350.400 2.105 20 5 FEBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)c1cccc(S(N)(=O)=O)c1 ZINC000801528694 674134020 /nfs/dbraw/zinc/13/40/20/674134020.db2.gz VUJTXCCJQNYIHZ-JTQLQIEISA-N 1 1 353.375 2.232 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(CC(N)=O)CC1 ZINC000077168500 542349479 /nfs/dbraw/zinc/34/94/79/542349479.db2.gz XGEINWRAVANJSB-LLVKDONJSA-N 1 1 359.386 2.293 20 5 FEBDMO Cc1c(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000085548321 542729120 /nfs/dbraw/zinc/72/91/20/542729120.db2.gz XJFGEWUUJKRESU-HUUCEWRRSA-N 1 1 362.430 2.356 20 5 FEBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000802134116 674162763 /nfs/dbraw/zinc/16/27/63/674162763.db2.gz FBYZVMIXLYRQJO-TZMCWYRMSA-N 1 1 354.378 2.490 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000089961117 542777402 /nfs/dbraw/zinc/77/74/02/542777402.db2.gz GFJJULFYIWMREW-IRXDYDNUSA-N 1 1 369.421 2.268 20 5 FEBDMO Cc1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000089961496 542777563 /nfs/dbraw/zinc/77/75/63/542777563.db2.gz VJPVWEGVYVCSKC-QZTJIDSGSA-N 1 1 369.421 2.268 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1 ZINC000089961118 542777978 /nfs/dbraw/zinc/77/79/78/542777978.db2.gz GFJJULFYIWMREW-SJORKVTESA-N 1 1 369.421 2.268 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000093001795 542900958 /nfs/dbraw/zinc/90/09/58/542900958.db2.gz XWRPOOSDSNEPBJ-VXGBXAGGSA-N 1 1 359.423 2.146 20 5 FEBDMO O=C([C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000093014129 542901588 /nfs/dbraw/zinc/90/15/88/542901588.db2.gz LKACMHOVNDOMDX-FZMUQLTDSA-N 1 1 359.426 2.321 20 5 FEBDMO O=C([C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000093014129 542901591 /nfs/dbraw/zinc/90/15/91/542901591.db2.gz LKACMHOVNDOMDX-FZMUQLTDSA-N 1 1 359.426 2.321 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096997031 543001895 /nfs/dbraw/zinc/00/18/95/543001895.db2.gz UAXKATCGCSEHJC-LBPRGKRZSA-N 1 1 359.423 2.277 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000096997030 543001912 /nfs/dbraw/zinc/00/19/12/543001912.db2.gz UAXKATCGCSEHJC-GFCCVEGCSA-N 1 1 359.423 2.277 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000104748828 543141817 /nfs/dbraw/zinc/14/18/17/543141817.db2.gz IEPXHPQBFBYGIB-LLVKDONJSA-N 1 1 361.851 2.129 20 5 FEBDMO Cc1sc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000107282795 543264805 /nfs/dbraw/zinc/26/48/05/543264805.db2.gz RLZYRKBUPQUPCE-AWEZNQCLSA-N 1 1 366.487 2.207 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000107283670 543265841 /nfs/dbraw/zinc/26/58/41/543265841.db2.gz CVDPMQZAZQJDIR-KRWDZBQOSA-N 1 1 360.458 2.145 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000112079473 543429652 /nfs/dbraw/zinc/42/96/52/543429652.db2.gz SCVYYRFLUHZKCV-CYBMUJFWSA-N 1 1 357.414 2.142 20 5 FEBDMO COCC1CC[NH+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000112356100 543443116 /nfs/dbraw/zinc/44/31/16/543443116.db2.gz MWCDJOCETRFZNS-LBPRGKRZSA-N 1 1 351.403 2.289 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919333 543468475 /nfs/dbraw/zinc/46/84/75/543468475.db2.gz MUWRSGVHPRUNFJ-UHFFFAOYSA-N 1 1 357.414 2.419 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](COC)C2)c([N+](=O)[O-])c1 ZINC000112991473 543471747 /nfs/dbraw/zinc/47/17/47/543471747.db2.gz VFXLXPBEODADCW-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](COC)C2)c([N+](=O)[O-])c1 ZINC000112991473 543471749 /nfs/dbraw/zinc/47/17/49/543471749.db2.gz VFXLXPBEODADCW-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000113301306 543483170 /nfs/dbraw/zinc/48/31/70/543483170.db2.gz IOIOXJAYSKXLPW-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000114188159 543506869 /nfs/dbraw/zinc/50/68/69/543506869.db2.gz GMQCETDYGNMJMD-GDBMZVCRSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000114188159 543506871 /nfs/dbraw/zinc/50/68/71/543506871.db2.gz GMQCETDYGNMJMD-GDBMZVCRSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1nn(CCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000116654254 543612362 /nfs/dbraw/zinc/61/23/62/543612362.db2.gz XLIYPFYDHGTIBO-UHFFFAOYSA-N 1 1 371.441 2.143 20 5 FEBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117341848 543629537 /nfs/dbraw/zinc/62/95/37/543629537.db2.gz XGVUIQRSNJHGHM-UKRRQHHQSA-N 1 1 360.414 2.061 20 5 FEBDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)CCn2cc([N+](=O)[O-])nc2C)c1 ZINC000124263303 543810231 /nfs/dbraw/zinc/81/02/31/543810231.db2.gz RLXHUJQZVSIZBI-UHFFFAOYSA-N 1 1 355.358 2.018 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000124821660 543845608 /nfs/dbraw/zinc/84/56/08/543845608.db2.gz SCFDHLNDTKENJT-PHIMTYICSA-N 1 1 359.835 2.072 20 5 FEBDMO CSc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000129241573 544099802 /nfs/dbraw/zinc/09/98/02/544099802.db2.gz GZQWGHVJFWVVIH-ZIAGYGMSSA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1ccc(C(=O)NC[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000129241573 544099806 /nfs/dbraw/zinc/09/98/06/544099806.db2.gz GZQWGHVJFWVVIH-ZIAGYGMSSA-N 1 1 365.455 2.300 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@H+]1CCc2ccccc2C1 ZINC000129216352 544097800 /nfs/dbraw/zinc/09/78/00/544097800.db2.gz ORMXEUZUQLRIHM-UHFFFAOYSA-N 1 1 354.410 2.181 20 5 FEBDMO CC[N@@H+](Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1)C(C)C ZINC000130002638 544134917 /nfs/dbraw/zinc/13/49/17/544134917.db2.gz REIPZAOHUHLXJD-UHFFFAOYSA-N 1 1 359.430 2.452 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000133530395 544273778 /nfs/dbraw/zinc/27/37/78/544273778.db2.gz NTNCFUKNXWPROW-LLVKDONJSA-N 1 1 359.423 2.195 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000150969065 544492160 /nfs/dbraw/zinc/49/21/60/544492160.db2.gz CZXKBRMWOCJWBU-JSGCOSHPSA-N 1 1 362.386 2.368 20 5 FEBDMO Cc1nn(C)c(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000153100850 544733672 /nfs/dbraw/zinc/73/36/72/544733672.db2.gz ZIUCICSZXOJSGY-UHFFFAOYSA-N 1 1 359.430 2.277 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153818500 544828198 /nfs/dbraw/zinc/82/81/98/544828198.db2.gz WNLSTOXLJAQEQM-OAHLLOKOSA-N 1 1 355.460 2.279 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153818591 544828631 /nfs/dbraw/zinc/82/86/31/544828631.db2.gz WNLSTOXLJAQEQM-HNNXBMFYSA-N 1 1 355.460 2.279 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000154354070 544895518 /nfs/dbraw/zinc/89/55/18/544895518.db2.gz STHSYQKLHPOOST-AWEZNQCLSA-N 1 1 351.451 2.153 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154873822 544960488 /nfs/dbraw/zinc/96/04/88/544960488.db2.gz WFWRAQWNYKGSMK-KGLIPLIRSA-N 1 1 370.409 2.126 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000154873822 544960492 /nfs/dbraw/zinc/96/04/92/544960492.db2.gz WFWRAQWNYKGSMK-KGLIPLIRSA-N 1 1 370.409 2.126 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000553043139 674235204 /nfs/dbraw/zinc/23/52/04/674235204.db2.gz MFPVBMLCEOVUHE-OLZOCXBDSA-N 1 1 351.403 2.211 20 5 FEBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)cs1 ZINC000185854093 327935761 /nfs/dbraw/zinc/93/57/61/327935761.db2.gz WGMWVLCHAXEQBJ-UHFFFAOYSA-N 1 1 367.452 2.486 20 5 FEBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187085003 328001217 /nfs/dbraw/zinc/00/12/17/328001217.db2.gz LUCQVCVVPYEVEQ-LBPRGKRZSA-N 1 1 350.419 2.326 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187153577 328005354 /nfs/dbraw/zinc/00/53/54/328005354.db2.gz LAEZWNIQGHEOFA-HNNXBMFYSA-N 1 1 370.409 2.290 20 5 FEBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCCCCC1 ZINC000187333170 328017263 /nfs/dbraw/zinc/01/72/63/328017263.db2.gz XWTRGLCTHFOSJB-UHFFFAOYSA-N 1 1 370.471 2.386 20 5 FEBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC1(O)CCCCCC1 ZINC000187333170 328017265 /nfs/dbraw/zinc/01/72/65/328017265.db2.gz XWTRGLCTHFOSJB-UHFFFAOYSA-N 1 1 370.471 2.386 20 5 FEBDMO CC(C)c1ccc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000188136840 328068431 /nfs/dbraw/zinc/06/84/31/328068431.db2.gz HOELSJUOSAJMLF-HNNXBMFYSA-N 1 1 362.474 2.474 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000189442362 328148502 /nfs/dbraw/zinc/14/85/02/328148502.db2.gz QHSURBYSBCTBDL-HNNXBMFYSA-N 1 1 350.463 2.427 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)[C@H](C)C1 ZINC000189554244 328154618 /nfs/dbraw/zinc/15/46/18/328154618.db2.gz DVOJTIFYXPWXGX-ZIAGYGMSSA-N 1 1 360.414 2.137 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000191323731 328260180 /nfs/dbraw/zinc/26/01/80/328260180.db2.gz SYEXVPQKBYBBHQ-OAHLLOKOSA-N 1 1 362.430 2.398 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000191348582 328261333 /nfs/dbraw/zinc/26/13/33/328261333.db2.gz LSHGZJRRMQNCGG-SFHVURJKSA-N 1 1 361.442 2.294 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000191624598 328274560 /nfs/dbraw/zinc/27/45/60/328274560.db2.gz ZDNZTKCFMVLFIJ-AWEZNQCLSA-N 1 1 357.414 2.158 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000191624598 328274562 /nfs/dbraw/zinc/27/45/62/328274562.db2.gz ZDNZTKCFMVLFIJ-AWEZNQCLSA-N 1 1 357.414 2.158 20 5 FEBDMO CC(C)C[C@]1(CO)CCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191654542 328276153 /nfs/dbraw/zinc/27/61/53/328276153.db2.gz JLZDOHRERADZLF-IBGZPJMESA-N 1 1 361.442 2.357 20 5 FEBDMO Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000049944382 324687953 /nfs/dbraw/zinc/68/79/53/324687953.db2.gz PGONRUUEANWGDL-AWEZNQCLSA-N 1 1 362.342 2.437 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH+](CC2CCCC2)CC1 ZINC000078437198 325045507 /nfs/dbraw/zinc/04/55/07/325045507.db2.gz LTTFVUAGVQQDNY-UHFFFAOYSA-N 1 1 353.444 2.091 20 5 FEBDMO O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000081665763 325192088 /nfs/dbraw/zinc/19/20/88/325192088.db2.gz IXZWGRFAIAZKAC-UHFFFAOYSA-N 1 1 351.403 2.200 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118117666 326083220 /nfs/dbraw/zinc/08/32/20/326083220.db2.gz OUMYRUAFVDGLAU-SNVBAGLBSA-N 1 1 356.810 2.033 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000118787575 326102239 /nfs/dbraw/zinc/10/22/39/326102239.db2.gz NJPKCLCXBQDKKY-AWEZNQCLSA-N 1 1 363.462 2.298 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000118792962 326102349 /nfs/dbraw/zinc/10/23/49/326102349.db2.gz GJOUQMHZNJDTNK-CQSZACIVSA-N 1 1 363.462 2.298 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000119319072 326148689 /nfs/dbraw/zinc/14/86/89/326148689.db2.gz PTTHMLJHQMFZOW-OAHLLOKOSA-N 1 1 371.441 2.488 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119730782 326192758 /nfs/dbraw/zinc/19/27/58/326192758.db2.gz NILABHXGIIGGQW-UKRRQHHQSA-N 1 1 362.430 2.030 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120863722 326294400 /nfs/dbraw/zinc/29/44/00/326294400.db2.gz SNBPUIWIOPPKRE-GUYCJALGSA-N 1 1 357.414 2.193 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000120954750 326302119 /nfs/dbraw/zinc/30/21/19/326302119.db2.gz CGDKQXUJEYFJJM-JKSUJKDBSA-N 1 1 367.471 2.026 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000121075402 326311190 /nfs/dbraw/zinc/31/11/90/326311190.db2.gz VJTRMDOAYWYXIR-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO Cn1cc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121443136 326339201 /nfs/dbraw/zinc/33/92/01/326339201.db2.gz BPXKIEODINMZCF-QGZVFWFLSA-N 1 1 369.425 2.238 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000121443136 326339203 /nfs/dbraw/zinc/33/92/03/326339203.db2.gz BPXKIEODINMZCF-QGZVFWFLSA-N 1 1 369.425 2.238 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000123744774 326441590 /nfs/dbraw/zinc/44/15/90/326441590.db2.gz KUOFQRLTYHNAIU-GFCCVEGCSA-N 1 1 359.423 2.134 20 5 FEBDMO COc1cc(OCC(=O)N(C)CCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000130555458 326559010 /nfs/dbraw/zinc/55/90/10/326559010.db2.gz VNJJYWFAHOUMRC-UHFFFAOYSA-N 1 1 362.386 2.036 20 5 FEBDMO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153616109 326737899 /nfs/dbraw/zinc/73/78/99/326737899.db2.gz LGNMSZVURGRBCK-GJZGRUSLSA-N 1 1 350.463 2.280 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000159131368 326920086 /nfs/dbraw/zinc/92/00/86/326920086.db2.gz PLYGADGFPNKPGA-QGZVFWFLSA-N 1 1 360.414 2.283 20 5 FEBDMO CC[NH+]1CCN(C(=O)CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000160990740 326984255 /nfs/dbraw/zinc/98/42/55/326984255.db2.gz YVZCTTBSHNHIMI-UHFFFAOYSA-N 1 1 360.336 2.190 20 5 FEBDMO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000172765180 327217961 /nfs/dbraw/zinc/21/79/61/327217961.db2.gz NDFKZJGFDVVUBT-TZMCWYRMSA-N 1 1 350.419 2.333 20 5 FEBDMO CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC000173469526 327259325 /nfs/dbraw/zinc/25/93/25/327259325.db2.gz KEKCZAKVKHOQKA-OAHLLOKOSA-N 1 1 363.462 2.369 20 5 FEBDMO CC(C)CN(C(=O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(C)C ZINC000173469526 327259326 /nfs/dbraw/zinc/25/93/26/327259326.db2.gz KEKCZAKVKHOQKA-OAHLLOKOSA-N 1 1 363.462 2.369 20 5 FEBDMO COCCOC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173729604 327279699 /nfs/dbraw/zinc/27/96/99/327279699.db2.gz LFXZXIMRPMYZSZ-LBPRGKRZSA-N 1 1 371.821 2.172 20 5 FEBDMO COCCOC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173729604 327279700 /nfs/dbraw/zinc/27/97/00/327279700.db2.gz LFXZXIMRPMYZSZ-LBPRGKRZSA-N 1 1 371.821 2.172 20 5 FEBDMO O=C(C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)NCc1cccnc1 ZINC000174241959 327315114 /nfs/dbraw/zinc/31/51/14/327315114.db2.gz VKGGAFVXXRIOQP-UHFFFAOYSA-N 1 1 370.409 2.149 20 5 FEBDMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174369480 327322817 /nfs/dbraw/zinc/32/28/17/327322817.db2.gz VYEREVCZMYJQAH-QGZVFWFLSA-N 1 1 361.446 2.229 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc([N+](=O)[O-])c1 ZINC000174536660 327333215 /nfs/dbraw/zinc/33/32/15/327333215.db2.gz FITZWBGADLGVKR-CYBMUJFWSA-N 1 1 363.414 2.185 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000174540233 327333420 /nfs/dbraw/zinc/33/34/20/327333420.db2.gz KLVWYLFXROKYED-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO Cc1nn(C)c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000174955374 327363472 /nfs/dbraw/zinc/36/34/72/327363472.db2.gz ZCUNFIDQDZLNHM-MRXNPFEDSA-N 1 1 371.441 2.231 20 5 FEBDMO COc1ccc(CNC(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000264236164 329003307 /nfs/dbraw/zinc/00/33/07/329003307.db2.gz DQSVFMVENICBQY-UHFFFAOYSA-N 1 1 350.419 2.277 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264315946 329009637 /nfs/dbraw/zinc/00/96/37/329009637.db2.gz OZSCYZGIJQWEMV-HNNXBMFYSA-N 1 1 369.425 2.065 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000265939570 329174765 /nfs/dbraw/zinc/17/47/65/329174765.db2.gz TYFXDVHEDULPJM-LLVKDONJSA-N 1 1 365.411 2.102 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000266046291 329184972 /nfs/dbraw/zinc/18/49/72/329184972.db2.gz XSNOBMPVKOEAKU-INIZCTEOSA-N 1 1 350.415 2.227 20 5 FEBDMO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)CC(C)(C)O ZINC000266757659 329256964 /nfs/dbraw/zinc/25/69/64/329256964.db2.gz RYSADRNHAOODFF-UHFFFAOYSA-N 1 1 364.427 2.360 20 5 FEBDMO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)CC(C)(C)O ZINC000266757659 329256965 /nfs/dbraw/zinc/25/69/65/329256965.db2.gz RYSADRNHAOODFF-UHFFFAOYSA-N 1 1 364.427 2.360 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267324443 329314817 /nfs/dbraw/zinc/31/48/17/329314817.db2.gz ZMSTYQVEMWZKRS-OLZOCXBDSA-N 1 1 353.444 2.061 20 5 FEBDMO O=C(CC[NH+]1CCN(c2ncccc2F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000270650368 329618731 /nfs/dbraw/zinc/61/87/31/329618731.db2.gz MIIBAZXLMFRVCO-UHFFFAOYSA-N 1 1 373.388 2.280 20 5 FEBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3CCS(=O)(=O)CC3)CC2)cc1 ZINC000271196453 329671921 /nfs/dbraw/zinc/67/19/21/329671921.db2.gz DOVNPGGWGJPMJT-UHFFFAOYSA-N 1 1 368.455 2.263 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271782431 329724748 /nfs/dbraw/zinc/72/47/48/329724748.db2.gz ZMWHSHIMPTVFHJ-OAHLLOKOSA-N 1 1 364.446 2.408 20 5 FEBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000276394350 330148347 /nfs/dbraw/zinc/14/83/47/330148347.db2.gz CLLGBXNWSMFEMR-AAEUAGOBSA-N 1 1 352.387 2.243 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000276394350 330148348 /nfs/dbraw/zinc/14/83/48/330148348.db2.gz CLLGBXNWSMFEMR-AAEUAGOBSA-N 1 1 352.387 2.243 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000276469917 330155470 /nfs/dbraw/zinc/15/54/70/330155470.db2.gz YLICNWKJSXHWAS-OCCSQVGLSA-N 1 1 352.387 2.113 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433187588 330275938 /nfs/dbraw/zinc/27/59/38/330275938.db2.gz OLVLOJIKOHYVDA-GJZGRUSLSA-N 1 1 370.471 2.179 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000555070441 674346696 /nfs/dbraw/zinc/34/66/96/674346696.db2.gz DGOWYBKDXPQYKT-NSHDSACASA-N 1 1 359.329 2.246 20 5 FEBDMO CN(C)c1ccc([N+](=O)[O-])c(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000155531899 545538553 /nfs/dbraw/zinc/53/85/53/545538553.db2.gz PWXIEAFLSSFUTB-SFHVURJKSA-N 1 1 371.437 2.459 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000156335266 545618130 /nfs/dbraw/zinc/61/81/30/545618130.db2.gz PSOXSIGBDSQBHG-MRXNPFEDSA-N 1 1 369.487 2.382 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159480896 545957181 /nfs/dbraw/zinc/95/71/81/545957181.db2.gz DWGXMXVNOVZCBK-LRDDRELGSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159480896 545957184 /nfs/dbraw/zinc/95/71/84/545957184.db2.gz DWGXMXVNOVZCBK-LRDDRELGSA-N 1 1 351.403 2.025 20 5 FEBDMO O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160643158 546059172 /nfs/dbraw/zinc/05/91/72/546059172.db2.gz VRJWSNUPQXQUFR-CVEARBPZSA-N 1 1 373.384 2.099 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176334693 546433193 /nfs/dbraw/zinc/43/31/93/546433193.db2.gz YNXBLPQFSSPFDP-CQSZACIVSA-N 1 1 352.435 2.232 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000480513440 561211013 /nfs/dbraw/zinc/21/10/13/561211013.db2.gz CVJWGPUIFNBJIA-AWEZNQCLSA-N 1 1 370.475 2.309 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177031949 546528262 /nfs/dbraw/zinc/52/82/62/546528262.db2.gz OYHZJRNWPGENOF-SMDDNHRTSA-N 1 1 361.398 2.127 20 5 FEBDMO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000177410374 546612803 /nfs/dbraw/zinc/61/28/03/546612803.db2.gz LOHJQLUEPSZQGZ-YVEFUNNKSA-N 1 1 371.393 2.334 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737330 561240295 /nfs/dbraw/zinc/24/02/95/561240295.db2.gz CWZZAJTVSJGLJO-ZBFHGGJFSA-N 1 1 352.387 2.016 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745296 561240712 /nfs/dbraw/zinc/24/07/12/561240712.db2.gz CHFYAHMSRNZIFD-ZBFHGGJFSA-N 1 1 352.387 2.016 20 5 FEBDMO CNC(=O)C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 ZINC000481822027 561243071 /nfs/dbraw/zinc/24/30/71/561243071.db2.gz ZQMJNEJGMCYBBM-QGZVFWFLSA-N 1 1 371.393 2.428 20 5 FEBDMO COc1cccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000481818870 561243130 /nfs/dbraw/zinc/24/31/30/561243130.db2.gz VYHMVMURRIZXNP-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000180570801 547132786 /nfs/dbraw/zinc/13/27/86/547132786.db2.gz WLQJTBWPASTHBK-AWEZNQCLSA-N 1 1 369.425 2.309 20 5 FEBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000180830932 547188244 /nfs/dbraw/zinc/18/82/44/547188244.db2.gz KPAMXVPUYGMGET-CQSZACIVSA-N 1 1 363.439 2.394 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181428874 547314618 /nfs/dbraw/zinc/31/46/18/547314618.db2.gz LOMFNIVHWFRRPC-LRDDRELGSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181428874 547314623 /nfs/dbraw/zinc/31/46/23/547314623.db2.gz LOMFNIVHWFRRPC-LRDDRELGSA-N 1 1 351.403 2.025 20 5 FEBDMO CS(=O)(=O)C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181785783 547379999 /nfs/dbraw/zinc/37/99/99/547379999.db2.gz BSNNIJVRXYEJEW-IAGOWNOFSA-N 1 1 364.423 2.004 20 5 FEBDMO CC(=O)N1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C(C)(C)C1 ZINC000182205986 547452380 /nfs/dbraw/zinc/45/23/80/547452380.db2.gz NGKWKNMUIRRDRP-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO COc1cccc2c1CC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000182729382 547542382 /nfs/dbraw/zinc/54/23/82/547542382.db2.gz MVHFCGBMOSSLKK-MRXNPFEDSA-N 1 1 358.394 2.401 20 5 FEBDMO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000183341686 547640965 /nfs/dbraw/zinc/64/09/65/547640965.db2.gz DPWOJJHAJRLUGF-XXTMNZORSA-N 1 1 361.442 2.351 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000183396974 547650321 /nfs/dbraw/zinc/65/03/21/547650321.db2.gz ZPEBDCKOZAAKRR-INIZCTEOSA-N 1 1 359.357 2.486 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000183396974 547650324 /nfs/dbraw/zinc/65/03/24/547650324.db2.gz ZPEBDCKOZAAKRR-INIZCTEOSA-N 1 1 359.357 2.486 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184601274 547852080 /nfs/dbraw/zinc/85/20/80/547852080.db2.gz XCNWLOULIVIVOG-AWEZNQCLSA-N 1 1 355.460 2.088 20 5 FEBDMO C[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000184637495 547858880 /nfs/dbraw/zinc/85/88/80/547858880.db2.gz FBBRWNJZQDCJLM-UHFFFAOYSA-N 1 1 367.471 2.375 20 5 FEBDMO C[N@H+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000184637495 547858885 /nfs/dbraw/zinc/85/88/85/547858885.db2.gz FBBRWNJZQDCJLM-UHFFFAOYSA-N 1 1 367.471 2.375 20 5 FEBDMO C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1Cc1ccccc1 ZINC000184943001 547904435 /nfs/dbraw/zinc/90/44/35/547904435.db2.gz SVQYOKLPADLGGR-AWEZNQCLSA-N 1 1 369.425 2.309 20 5 FEBDMO Cn1cc(-c2cc(C[NH+]3CCN(c4ccc([N+](=O)[O-])cc4)CC3)on2)cn1 ZINC000184973303 547910352 /nfs/dbraw/zinc/91/03/52/547910352.db2.gz MXPWYNINZCWTGD-UHFFFAOYSA-N 1 1 368.397 2.306 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000485871842 561330642 /nfs/dbraw/zinc/33/06/42/561330642.db2.gz IGGYMRBADSQJHY-CYBMUJFWSA-N 1 1 364.446 2.467 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186670926 548170497 /nfs/dbraw/zinc/17/04/97/548170497.db2.gz VJAOXHNRWWEVPK-LJQANCHMSA-N 1 1 353.378 2.325 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000194146073 548440825 /nfs/dbraw/zinc/44/08/25/548440825.db2.gz JMPXEPRDGNGGPI-AWEZNQCLSA-N 1 1 365.430 2.145 20 5 FEBDMO COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486891640 561359047 /nfs/dbraw/zinc/35/90/47/561359047.db2.gz DCRSIQIDBSZXLH-NEPJUHHUSA-N 1 1 364.402 2.246 20 5 FEBDMO Cn1c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000487038307 561362026 /nfs/dbraw/zinc/36/20/26/561362026.db2.gz HOMNEKGWHCDGLL-INIZCTEOSA-N 1 1 356.426 2.228 20 5 FEBDMO COc1ccc(NC(=O)CCN2CC[N@@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487971135 561380271 /nfs/dbraw/zinc/38/02/71/561380271.db2.gz MWJOKNWUPYTSLO-KRWDZBQOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487971135 561380272 /nfs/dbraw/zinc/38/02/72/561380272.db2.gz MWJOKNWUPYTSLO-KRWDZBQOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCN(C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487971135 561380273 /nfs/dbraw/zinc/38/02/73/561380273.db2.gz MWJOKNWUPYTSLO-KRWDZBQOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245542972 548942907 /nfs/dbraw/zinc/94/29/07/548942907.db2.gz KMXPSOVTJNELBM-SUMWQHHRSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000246150972 549064171 /nfs/dbraw/zinc/06/41/71/549064171.db2.gz LAOXYFNAQLSEKK-GJZGRUSLSA-N 1 1 367.471 2.459 20 5 FEBDMO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246203587 549076999 /nfs/dbraw/zinc/07/69/99/549076999.db2.gz WKYISEYVGKTDPH-DZGCQCFKSA-N 1 1 361.446 2.313 20 5 FEBDMO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246203587 549077005 /nfs/dbraw/zinc/07/70/05/549077005.db2.gz WKYISEYVGKTDPH-DZGCQCFKSA-N 1 1 361.446 2.313 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000246342590 549109547 /nfs/dbraw/zinc/10/95/47/549109547.db2.gz JAXNYBRGLSBLSI-NXEZZACHSA-N 1 1 357.794 2.316 20 5 FEBDMO CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000246715518 549194048 /nfs/dbraw/zinc/19/40/48/549194048.db2.gz KZJCKZNTGMGTDI-AEFFLSMTSA-N 1 1 360.414 2.388 20 5 FEBDMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000246808451 549218030 /nfs/dbraw/zinc/21/80/30/549218030.db2.gz RVMYNKOFFJRQEX-MJGOQNOKSA-N 1 1 369.421 2.208 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247138464 549290887 /nfs/dbraw/zinc/29/08/87/549290887.db2.gz JPKKHZYVPFQLBW-OLZOCXBDSA-N 1 1 363.414 2.311 20 5 FEBDMO CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000247698355 549373915 /nfs/dbraw/zinc/37/39/15/549373915.db2.gz XDUMSNRJFBRXRR-WCQYABFASA-N 1 1 353.448 2.173 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000248406104 549430274 /nfs/dbraw/zinc/43/02/74/549430274.db2.gz SBADKYXGSGFNMQ-DZGCQCFKSA-N 1 1 370.413 2.417 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248956050 549531065 /nfs/dbraw/zinc/53/10/65/549531065.db2.gz BMXVUFRVVQSOHG-UONOGXRCSA-N 1 1 355.460 2.315 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000249073774 549546094 /nfs/dbraw/zinc/54/60/94/549546094.db2.gz LICBLHHVKYNEGQ-IUODEOHRSA-N 1 1 366.368 2.310 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249118821 549556220 /nfs/dbraw/zinc/55/62/20/549556220.db2.gz TUEUQJJDINNTGO-YQQAZPJKSA-N 1 1 363.458 2.077 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249118821 549556224 /nfs/dbraw/zinc/55/62/24/549556224.db2.gz TUEUQJJDINNTGO-YQQAZPJKSA-N 1 1 363.458 2.077 20 5 FEBDMO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000249800403 549628610 /nfs/dbraw/zinc/62/86/10/549628610.db2.gz CIJPQYKGKGXPQO-ZFWWWQNUSA-N 1 1 362.430 2.078 20 5 FEBDMO CC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000249800403 549628614 /nfs/dbraw/zinc/62/86/14/549628614.db2.gz CIJPQYKGKGXPQO-ZFWWWQNUSA-N 1 1 362.430 2.078 20 5 FEBDMO C[N@H+]1C[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)[C@@H](c2ccccc2)C1 ZINC000490043139 561425090 /nfs/dbraw/zinc/42/50/90/561425090.db2.gz YKDBPMXJJLFHOU-HUUCEWRRSA-N 1 1 369.377 2.151 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000268284428 550044749 /nfs/dbraw/zinc/04/47/49/550044749.db2.gz XFQRSONQXKLOKQ-CYBMUJFWSA-N 1 1 355.460 2.388 20 5 FEBDMO CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000268974382 550139343 /nfs/dbraw/zinc/13/93/43/550139343.db2.gz OLWZLNMUGRWWOH-SNVBAGLBSA-N 1 1 353.400 2.089 20 5 FEBDMO CSC[C@H]1CCC[N@H+]1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000268974382 550139344 /nfs/dbraw/zinc/13/93/44/550139344.db2.gz OLWZLNMUGRWWOH-SNVBAGLBSA-N 1 1 353.400 2.089 20 5 FEBDMO COc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])c1OC ZINC000268999335 550142309 /nfs/dbraw/zinc/14/23/09/550142309.db2.gz JNHJANSWYDSAPT-JSGCOSHPSA-N 1 1 363.414 2.168 20 5 FEBDMO COc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])c1OC ZINC000268999336 550142592 /nfs/dbraw/zinc/14/25/92/550142592.db2.gz JNHJANSWYDSAPT-OCCSQVGLSA-N 1 1 363.414 2.168 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc([N+](=O)[O-])c1OC ZINC000269124731 550158222 /nfs/dbraw/zinc/15/82/22/550158222.db2.gz WQDOUARFIWYPJZ-TZMCWYRMSA-N 1 1 363.414 2.168 20 5 FEBDMO CCOc1cc(CN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000493573494 561457002 /nfs/dbraw/zinc/45/70/02/561457002.db2.gz PIMZLZIDCPWWHI-AWEZNQCLSA-N 1 1 351.447 2.271 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000493944171 561459731 /nfs/dbraw/zinc/45/97/31/561459731.db2.gz HLLQLWVLAATLGR-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000493944171 561459732 /nfs/dbraw/zinc/45/97/32/561459732.db2.gz HLLQLWVLAATLGR-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO CC[C@H](CSC)[N@@H+](C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000271577963 550387254 /nfs/dbraw/zinc/38/72/54/550387254.db2.gz PPGGFRVEPSQLEB-SNVBAGLBSA-N 1 1 355.416 2.335 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272274176 550433573 /nfs/dbraw/zinc/43/35/73/550433573.db2.gz LXDWCIXITUTVBB-DOMZBBRYSA-N 1 1 357.414 2.267 20 5 FEBDMO COc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000272452593 550449208 /nfs/dbraw/zinc/44/92/08/550449208.db2.gz MVWFHBZIGSFDNB-GJZGRUSLSA-N 1 1 362.430 2.229 20 5 FEBDMO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000272509799 550454505 /nfs/dbraw/zinc/45/45/05/550454505.db2.gz JWZZWXONMAGKDV-DYVFJYSZSA-N 1 1 365.430 2.167 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000272509799 550454506 /nfs/dbraw/zinc/45/45/06/550454506.db2.gz JWZZWXONMAGKDV-DYVFJYSZSA-N 1 1 365.430 2.167 20 5 FEBDMO C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272846081 550473348 /nfs/dbraw/zinc/47/33/48/550473348.db2.gz GXCODDNUDSFKBS-ZDUSSCGKSA-N 1 1 355.398 2.161 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CCCO)CC1 ZINC000273022880 550480982 /nfs/dbraw/zinc/48/09/82/550480982.db2.gz SIFCKJJTSQBLGN-UHFFFAOYSA-N 1 1 351.403 2.026 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000277482053 550675976 /nfs/dbraw/zinc/67/59/76/550675976.db2.gz IUNHTOILYIGZME-CYBMUJFWSA-N 1 1 363.414 2.359 20 5 FEBDMO C[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+]1CCC[C@H](C)C1 ZINC000277607516 550691019 /nfs/dbraw/zinc/69/10/19/550691019.db2.gz AMGHIXGOECROGK-STQMWFEESA-N 1 1 374.445 2.391 20 5 FEBDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277631073 550694318 /nfs/dbraw/zinc/69/43/18/550694318.db2.gz DGVAGWVQTGYUQA-GFCCVEGCSA-N 1 1 360.418 2.002 20 5 FEBDMO COCC[N@H+](C)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277740413 550708571 /nfs/dbraw/zinc/70/85/71/550708571.db2.gz PCVCKDFHSFLQSE-UHFFFAOYSA-N 1 1 353.422 2.402 20 5 FEBDMO COCC[N@@H+](C)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277740413 550708573 /nfs/dbraw/zinc/70/85/73/550708573.db2.gz PCVCKDFHSFLQSE-UHFFFAOYSA-N 1 1 353.422 2.402 20 5 FEBDMO CNC(=O)CCOC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000494979733 561480321 /nfs/dbraw/zinc/48/03/21/561480321.db2.gz XODFZUCOBVNXDR-UHFFFAOYSA-N 1 1 355.822 2.365 20 5 FEBDMO Nc1cc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)ccn1 ZINC000278344906 550775186 /nfs/dbraw/zinc/77/51/86/550775186.db2.gz CNZQWTAAXDUIQX-UHFFFAOYSA-N 1 1 367.413 2.161 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278731768 550816110 /nfs/dbraw/zinc/81/61/10/550816110.db2.gz WHLBSTGOQCREJM-CYBMUJFWSA-N 1 1 369.849 2.408 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000278779981 550820858 /nfs/dbraw/zinc/82/08/58/550820858.db2.gz VUUHFFNVPVGNQV-UHFFFAOYSA-N 1 1 352.192 2.407 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@H]2C1 ZINC000279215306 550865833 /nfs/dbraw/zinc/86/58/33/550865833.db2.gz OKTGOPRGMANMKY-DTORHVGOSA-N 1 1 372.194 2.130 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000495471501 561488756 /nfs/dbraw/zinc/48/87/56/561488756.db2.gz YJLVLJNERPWBDK-USXIJHARSA-N 1 1 352.431 2.063 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000280696472 551022410 /nfs/dbraw/zinc/02/24/10/551022410.db2.gz JWBTTXWOUUEQJG-AWEZNQCLSA-N 1 1 373.461 2.137 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000280943229 551048173 /nfs/dbraw/zinc/04/81/73/551048173.db2.gz IBDCGLLHXRUYNE-HKUYNNGSSA-N 1 1 373.409 2.021 20 5 FEBDMO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281342925 551086678 /nfs/dbraw/zinc/08/66/78/551086678.db2.gz KAKCGKWZFMXDIJ-ZBFHGGJFSA-N 1 1 360.414 2.295 20 5 FEBDMO Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281342925 551086680 /nfs/dbraw/zinc/08/66/80/551086680.db2.gz KAKCGKWZFMXDIJ-ZBFHGGJFSA-N 1 1 360.414 2.295 20 5 FEBDMO O=C1N[C@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]2CO1 ZINC000281393306 551091854 /nfs/dbraw/zinc/09/18/54/551091854.db2.gz PYIFQRLKJYYKEP-HIFRSBDPSA-N 1 1 372.381 2.223 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281842445 551146856 /nfs/dbraw/zinc/14/68/56/551146856.db2.gz OGCQHJXBUGRURU-UHFFFAOYSA-N 1 1 363.462 2.359 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000498470021 561524975 /nfs/dbraw/zinc/52/49/75/561524975.db2.gz XHHXUFBPLOXKBG-AWEZNQCLSA-N 1 1 351.451 2.261 20 5 FEBDMO C[N@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000284765357 551627863 /nfs/dbraw/zinc/62/78/63/551627863.db2.gz MOGDCHLMKNSEMO-WOJBJXKFSA-N 1 1 355.438 2.487 20 5 FEBDMO CN1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000284765357 551627867 /nfs/dbraw/zinc/62/78/67/551627867.db2.gz MOGDCHLMKNSEMO-WOJBJXKFSA-N 1 1 355.438 2.487 20 5 FEBDMO CN1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1Cc1ccccc1 ZINC000284765357 551627869 /nfs/dbraw/zinc/62/78/69/551627869.db2.gz MOGDCHLMKNSEMO-WOJBJXKFSA-N 1 1 355.438 2.487 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286704537 551916826 /nfs/dbraw/zinc/91/68/26/551916826.db2.gz WLYAUUZNNPVSOO-TZMCWYRMSA-N 1 1 362.304 2.056 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286704537 551916828 /nfs/dbraw/zinc/91/68/28/551916828.db2.gz WLYAUUZNNPVSOO-TZMCWYRMSA-N 1 1 362.304 2.056 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CC[NH+](Cc3ccncc3)CC2)s1 ZINC000287123150 551966361 /nfs/dbraw/zinc/96/63/61/551966361.db2.gz WLZBVQLCDIZOJG-UHFFFAOYSA-N 1 1 356.411 2.317 20 5 FEBDMO O=C([C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1)N1CCCC1 ZINC000287428965 552003143 /nfs/dbraw/zinc/00/31/43/552003143.db2.gz PKJTYMNFBNRREX-CQSZACIVSA-N 1 1 371.397 2.089 20 5 FEBDMO O=C([C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1)N1CCCC1 ZINC000287428965 552003145 /nfs/dbraw/zinc/00/31/45/552003145.db2.gz PKJTYMNFBNRREX-CQSZACIVSA-N 1 1 371.397 2.089 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499464368 561551590 /nfs/dbraw/zinc/55/15/90/561551590.db2.gz NLUNSFNXQRXAAU-GJZGRUSLSA-N 1 1 371.441 2.221 20 5 FEBDMO CCC[C@H]1CN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000499653430 561555305 /nfs/dbraw/zinc/55/53/05/561555305.db2.gz AOQKLJONKPAZEG-LBPRGKRZSA-N 1 1 353.448 2.241 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288380331 552143708 /nfs/dbraw/zinc/14/37/08/552143708.db2.gz VICXAFKKJMASNM-WMLDXEAASA-N 1 1 371.441 2.269 20 5 FEBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000289302576 552297847 /nfs/dbraw/zinc/29/78/47/552297847.db2.gz IHXAVJKSHYYURT-PBHICJAKSA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000289302576 552297849 /nfs/dbraw/zinc/29/78/49/552297849.db2.gz IHXAVJKSHYYURT-PBHICJAKSA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2nc([C@@H]3CCC[N@@H+]3C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000289302576 552297851 /nfs/dbraw/zinc/29/78/51/552297851.db2.gz IHXAVJKSHYYURT-PBHICJAKSA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2nc([C@@H]3CCC[N@H+]3C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000289302576 552297853 /nfs/dbraw/zinc/29/78/53/552297853.db2.gz IHXAVJKSHYYURT-PBHICJAKSA-N 1 1 370.413 2.174 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000500409145 561571910 /nfs/dbraw/zinc/57/19/10/561571910.db2.gz OGIXFURSDHBZGC-ZDUSSCGKSA-N 1 1 370.475 2.179 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)[N@H+]1CCc2ccccc2C1 ZINC000500792062 561582562 /nfs/dbraw/zinc/58/25/62/561582562.db2.gz CSRRHBQNYCXBND-MRXNPFEDSA-N 1 1 371.441 2.141 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000500936238 561586098 /nfs/dbraw/zinc/58/60/98/561586098.db2.gz PSPITJIJRSTUBK-HOCLYGCPSA-N 1 1 369.487 2.272 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291730581 552655553 /nfs/dbraw/zinc/65/55/53/552655553.db2.gz JOTTYQNCUSLVJM-HXUWFJFHSA-N 1 1 371.437 2.074 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292077178 552691427 /nfs/dbraw/zinc/69/14/27/552691427.db2.gz FHDCDPRKAZJLNG-JKSUJKDBSA-N 1 1 350.415 2.083 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292123083 552695979 /nfs/dbraw/zinc/69/59/79/552695979.db2.gz KJXCRKQLHXCEGS-INIZCTEOSA-N 1 1 352.822 2.214 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292140707 552697762 /nfs/dbraw/zinc/69/77/62/552697762.db2.gz YZPCOIZCCNWKPP-OAHLLOKOSA-N 1 1 373.862 2.273 20 5 FEBDMO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+](C2CCC2)C1 ZINC000292289579 552712655 /nfs/dbraw/zinc/71/26/55/552712655.db2.gz MCIRRRWDOHOVNJ-HNNXBMFYSA-N 1 1 372.469 2.290 20 5 FEBDMO C[C@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000501499626 561598944 /nfs/dbraw/zinc/59/89/44/561598944.db2.gz GIQZQCLZQXTPLD-LSDHHAIUSA-N 1 1 363.462 2.426 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](CO)CC1 ZINC000293114362 552790209 /nfs/dbraw/zinc/79/02/09/552790209.db2.gz LVWWMVZSUHBDII-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc1[N+](=O)[O-] ZINC000294774186 552933506 /nfs/dbraw/zinc/93/35/06/552933506.db2.gz KLMIBDUMBNRVEU-LSDHHAIUSA-N 1 1 355.394 2.384 20 5 FEBDMO COc1c(C)c[nH+]c(CN(C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C ZINC000295164295 552965361 /nfs/dbraw/zinc/96/53/61/552965361.db2.gz NPTVSQCJMNQHEQ-UHFFFAOYSA-N 1 1 358.398 2.346 20 5 FEBDMO COc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000295263167 552978212 /nfs/dbraw/zinc/97/82/12/552978212.db2.gz GGVYFSKDQNZFSY-LBPRGKRZSA-N 1 1 363.414 2.168 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000295302309 552984345 /nfs/dbraw/zinc/98/43/45/552984345.db2.gz KGLDQYBKHAZBBG-AGUYFDCRSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000295328888 552988608 /nfs/dbraw/zinc/98/86/08/552988608.db2.gz TVYSKSFOPRWJAH-UHFFFAOYSA-N 1 1 351.794 2.286 20 5 FEBDMO CCOc1ccc(C[NH+]2CCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cc1 ZINC000296657777 553194552 /nfs/dbraw/zinc/19/45/52/553194552.db2.gz XZYMVZBSABXXKJ-UHFFFAOYSA-N 1 1 357.414 2.414 20 5 FEBDMO Cc1cc(F)c(NC(=O)NC2CC[NH+](CCN(C)C)CC2)cc1[N+](=O)[O-] ZINC000296808581 553214436 /nfs/dbraw/zinc/21/44/36/553214436.db2.gz RGMUMGQLJMIYQY-UHFFFAOYSA-N 1 1 367.425 2.190 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803015 553340525 /nfs/dbraw/zinc/34/05/25/553340525.db2.gz IAQUJGHAMXMJHF-JSGCOSHPSA-N 1 1 362.430 2.078 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000298680619 553458105 /nfs/dbraw/zinc/45/81/05/553458105.db2.gz YZMSXDGKYQECOJ-KRWDZBQOSA-N 1 1 370.409 2.472 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000299729707 553608783 /nfs/dbraw/zinc/60/87/83/553608783.db2.gz WLSUFUIENZJADC-GXTWGEPZSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1nc(C[NH+]2CCC(CNc3ncc([N+](=O)[O-])c(N)n3)CC2)cs1 ZINC000301231959 553633443 /nfs/dbraw/zinc/63/34/43/553633443.db2.gz FWRSUMLKIWSWCG-UHFFFAOYSA-N 1 1 363.447 2.056 20 5 FEBDMO C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000301676426 553671347 /nfs/dbraw/zinc/67/13/47/553671347.db2.gz HRAIFXQXAXJMKM-JTQLQIEISA-N 1 1 359.224 2.133 20 5 FEBDMO O=C(NC1CC1)c1ccc(NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000301881905 553687972 /nfs/dbraw/zinc/68/79/72/553687972.db2.gz WNCWVPRTUFPTOC-JKSUJKDBSA-N 1 1 374.441 2.152 20 5 FEBDMO O=C(NC1CC1)c1ccc(NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000301881905 553687974 /nfs/dbraw/zinc/68/79/74/553687974.db2.gz WNCWVPRTUFPTOC-JKSUJKDBSA-N 1 1 374.441 2.152 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301970341 553694998 /nfs/dbraw/zinc/69/49/98/553694998.db2.gz RHYLMJZLEDZGNK-KRWDZBQOSA-N 1 1 369.425 2.062 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301975626 553695750 /nfs/dbraw/zinc/69/57/50/553695750.db2.gz VWBPQGZKDMMORI-AWEZNQCLSA-N 1 1 352.822 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301997213 553697155 /nfs/dbraw/zinc/69/71/55/553697155.db2.gz PCEQLZGCNMBZOB-CQSZACIVSA-N 1 1 352.398 2.348 20 5 FEBDMO CC1=CC[N@@H+](CCNc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 ZINC000302135553 553706131 /nfs/dbraw/zinc/70/61/31/553706131.db2.gz DPAYICUOBUJSJU-UHFFFAOYSA-N 1 1 374.441 2.131 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313355192 553757765 /nfs/dbraw/zinc/75/77/65/553757765.db2.gz RAJVTZBHRXGXSI-INIZCTEOSA-N 1 1 361.423 2.238 20 5 FEBDMO COC(=O)[C@H]1CC12CC[NH+](Cc1nc(-c3ccc([N+](=O)[O-])cc3)no1)CC2 ZINC000506265764 561694475 /nfs/dbraw/zinc/69/44/75/561694475.db2.gz YWEGVWZLEBYYPC-CQSZACIVSA-N 1 1 372.381 2.420 20 5 FEBDMO CC[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc(Br)c2C)CC1 ZINC000330475438 554125975 /nfs/dbraw/zinc/12/59/75/554125975.db2.gz SWMAUWAKIKINOP-UHFFFAOYSA-N 1 1 356.220 2.443 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330421196 554119605 /nfs/dbraw/zinc/11/96/05/554119605.db2.gz QCMJWOMEOJELSS-ZIAGYGMSSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000331220123 554232991 /nfs/dbraw/zinc/23/29/91/554232991.db2.gz JAIKOEAESQLGLP-CQSZACIVSA-N 1 1 355.460 2.363 20 5 FEBDMO COc1ccc(S(=O)(=O)NCC[N@@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000331307148 554244601 /nfs/dbraw/zinc/24/46/01/554244601.db2.gz XGIXYQZSUNJJNQ-UHFFFAOYSA-N 1 1 371.459 2.004 20 5 FEBDMO COc1ccc(S(=O)(=O)NCC[N@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000331307148 554244603 /nfs/dbraw/zinc/24/46/03/554244603.db2.gz XGIXYQZSUNJJNQ-UHFFFAOYSA-N 1 1 371.459 2.004 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331388435 554255960 /nfs/dbraw/zinc/25/59/60/554255960.db2.gz PIKCPEHIJSMCNR-HUUCEWRRSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331388435 554255962 /nfs/dbraw/zinc/25/59/62/554255962.db2.gz PIKCPEHIJSMCNR-HUUCEWRRSA-N 1 1 374.441 2.256 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(OCC(=O)NC)c1 ZINC000509569434 561805399 /nfs/dbraw/zinc/80/53/99/561805399.db2.gz LSTVKCWICDXSBL-UHFFFAOYSA-N 1 1 373.409 2.408 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000332569062 554473724 /nfs/dbraw/zinc/47/37/24/554473724.db2.gz CITFZGXIRIWATG-GXTWGEPZSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332589460 554477492 /nfs/dbraw/zinc/47/74/92/554477492.db2.gz MSORCXGCRCYEBT-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000334074866 554675292 /nfs/dbraw/zinc/67/52/92/554675292.db2.gz BXNBZWRSXZXHBC-CHWSQXEVSA-N 1 1 365.430 2.221 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000510985806 561853039 /nfs/dbraw/zinc/85/30/39/561853039.db2.gz SVOLVZRHKPUYDN-LBPRGKRZSA-N 1 1 361.851 2.401 20 5 FEBDMO C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)C1=CC[N@@H+](C)CC1 ZINC000511343446 561866049 /nfs/dbraw/zinc/86/60/49/561866049.db2.gz LMJRMBOQKGOXLS-CYBMUJFWSA-N 1 1 355.398 2.161 20 5 FEBDMO CC[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000361680775 554928418 /nfs/dbraw/zinc/92/84/18/554928418.db2.gz GQAYUKGHLKWLDK-BUSQMGNYSA-N 1 1 359.426 2.177 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000362076556 554947741 /nfs/dbraw/zinc/94/77/41/554947741.db2.gz HDQFUXSBBQVXOB-KBPBESRZSA-N 1 1 355.398 2.137 20 5 FEBDMO C[NH+](C)[C@]1(C(=O)NCc2ccccc2[N+](=O)[O-])CCOc2ccccc21 ZINC000363256906 555065630 /nfs/dbraw/zinc/06/56/30/555065630.db2.gz QHHGKIASOKOKFD-LJQANCHMSA-N 1 1 355.394 2.451 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257248 555065724 /nfs/dbraw/zinc/06/57/24/555065724.db2.gz VKYCAOMEBNFTOY-JLSDUUJJSA-N 1 1 358.442 2.340 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257248 555065727 /nfs/dbraw/zinc/06/57/27/555065727.db2.gz VKYCAOMEBNFTOY-JLSDUUJJSA-N 1 1 358.442 2.340 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@H+]2CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000363259320 555066142 /nfs/dbraw/zinc/06/61/42/555066142.db2.gz NBLBYRMDASOODF-BPUTZDHNSA-N 1 1 365.455 2.008 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363678250 555162222 /nfs/dbraw/zinc/16/22/22/555162222.db2.gz KYMUJIZZJFMGCR-YQQAZPJKSA-N 1 1 358.442 2.340 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000363694605 555165905 /nfs/dbraw/zinc/16/59/05/555165905.db2.gz ARDRQVFQFJAZLX-INIZCTEOSA-N 1 1 352.866 2.460 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427818 555312376 /nfs/dbraw/zinc/31/23/76/555312376.db2.gz SAVGPPMHWONYPW-XPKDYRNWSA-N 1 1 365.405 2.353 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556829 555337614 /nfs/dbraw/zinc/33/76/14/555337614.db2.gz KQFYUJUJCZEKQU-IVMMDQJWSA-N 1 1 365.405 2.353 20 5 FEBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)CC2 ZINC000364666233 555367914 /nfs/dbraw/zinc/36/79/14/555367914.db2.gz ZMBIIUZKBJEDIP-UHFFFAOYSA-N 1 1 369.425 2.481 20 5 FEBDMO C[C@@H](CO)[N@H+]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000364892680 555428177 /nfs/dbraw/zinc/42/81/77/555428177.db2.gz GIBMUGXOHHVWKO-HNNXBMFYSA-N 1 1 374.441 2.181 20 5 FEBDMO C[C@@H](CO)N1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000364892680 555428179 /nfs/dbraw/zinc/42/81/79/555428179.db2.gz GIBMUGXOHHVWKO-HNNXBMFYSA-N 1 1 374.441 2.181 20 5 FEBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000364956015 555449112 /nfs/dbraw/zinc/44/91/12/555449112.db2.gz RHZGOLNCTGTHSV-LLVKDONJSA-N 1 1 356.810 2.169 20 5 FEBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365546350 555605067 /nfs/dbraw/zinc/60/50/67/555605067.db2.gz KZZKIEKOBFMIGS-SGIREYDYSA-N 1 1 355.398 2.027 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365546350 555605069 /nfs/dbraw/zinc/60/50/69/555605069.db2.gz KZZKIEKOBFMIGS-SGIREYDYSA-N 1 1 355.398 2.027 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365546350 555605072 /nfs/dbraw/zinc/60/50/72/555605072.db2.gz KZZKIEKOBFMIGS-SGIREYDYSA-N 1 1 355.398 2.027 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)c1 ZINC000365726297 555652306 /nfs/dbraw/zinc/65/23/06/555652306.db2.gz WWDIUMRAKXDCEE-UHFFFAOYSA-N 1 1 358.324 2.413 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C[C@H]2[C@@H]1c1ccccc1 ZINC000366200883 555779816 /nfs/dbraw/zinc/77/98/16/555779816.db2.gz KBLOUMPFFXGWJV-KYJSFNMBSA-N 1 1 352.394 2.365 20 5 FEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000366281936 555800813 /nfs/dbraw/zinc/80/08/13/555800813.db2.gz CQQZQWRPTUJZCE-MSOLQXFVSA-N 1 1 361.442 2.287 20 5 FEBDMO O=C([C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000366657700 555901065 /nfs/dbraw/zinc/90/10/65/555901065.db2.gz SEJQKAXKGUHJBY-WMZOPIPTSA-N 1 1 361.442 2.353 20 5 FEBDMO COC(=O)[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1(C)C ZINC000366669834 555903904 /nfs/dbraw/zinc/90/39/04/555903904.db2.gz PGKCRZMMADEVBW-CYBMUJFWSA-N 1 1 360.370 2.276 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1(C)C ZINC000366669834 555903906 /nfs/dbraw/zinc/90/39/06/555903906.db2.gz PGKCRZMMADEVBW-CYBMUJFWSA-N 1 1 360.370 2.276 20 5 FEBDMO O=c1cc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@@H]3C2)c2c(ccc3ccccc32)o1 ZINC000366763328 555928010 /nfs/dbraw/zinc/92/80/10/555928010.db2.gz ZDQSZFREDLRQTB-SJORKVTESA-N 1 1 364.401 2.036 20 5 FEBDMO O=C(c1csc(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367283127 556007443 /nfs/dbraw/zinc/00/74/43/556007443.db2.gz SBDMDWKXRZYWDR-GFCCVEGCSA-N 1 1 368.365 2.397 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000367296660 556010809 /nfs/dbraw/zinc/01/08/09/556010809.db2.gz RNCBJURLCUXUQN-MRXNPFEDSA-N 1 1 366.849 2.162 20 5 FEBDMO CCN1CCC(CC[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000514855914 561983566 /nfs/dbraw/zinc/98/35/66/561983566.db2.gz GCXUUPUHUOOIOV-UHFFFAOYSA-N 1 1 369.487 2.080 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000368267107 556263879 /nfs/dbraw/zinc/26/38/79/556263879.db2.gz NWTKIQSIWYEMJJ-AWEZNQCLSA-N 1 1 366.466 2.258 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000368375607 556291569 /nfs/dbraw/zinc/29/15/69/556291569.db2.gz WUYJMYATQDGJGM-ZIAGYGMSSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000368375607 556291573 /nfs/dbraw/zinc/29/15/73/556291573.db2.gz WUYJMYATQDGJGM-ZIAGYGMSSA-N 1 1 352.387 2.146 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000368615160 556363451 /nfs/dbraw/zinc/36/34/51/556363451.db2.gz RUXGASYMAHIHRE-GVDBMIGSSA-N 1 1 364.442 2.473 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662418 556377987 /nfs/dbraw/zinc/37/79/87/556377987.db2.gz ICLKXGZRMLCLPR-MORSLUCNSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662418 556377990 /nfs/dbraw/zinc/37/79/90/556377990.db2.gz ICLKXGZRMLCLPR-MORSLUCNSA-N 1 1 374.441 2.397 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664826 556378737 /nfs/dbraw/zinc/37/87/37/556378737.db2.gz YUEZPSIPGNXHGQ-GDBMZVCRSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664826 556378739 /nfs/dbraw/zinc/37/87/39/556378739.db2.gz YUEZPSIPGNXHGQ-GDBMZVCRSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664826 556378743 /nfs/dbraw/zinc/37/87/43/556378743.db2.gz YUEZPSIPGNXHGQ-GDBMZVCRSA-N 1 1 360.414 2.246 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@@H]21 ZINC000515422629 562010111 /nfs/dbraw/zinc/01/01/11/562010111.db2.gz BRUBKXKWZBECRL-DOMZBBRYSA-N 1 1 358.423 2.494 20 5 FEBDMO Cc1cc(C2=CC[N@H+](C[C@@H]3CCS(=O)(=O)C3)CC2)cc([N+](=O)[O-])c1N ZINC000369476140 556607387 /nfs/dbraw/zinc/60/73/87/556607387.db2.gz ITVXCDZZYOUSSL-ZDUSSCGKSA-N 1 1 365.455 2.009 20 5 FEBDMO Cc1cc(C2=CC[N@@H+](C[C@@H]3CCS(=O)(=O)C3)CC2)cc([N+](=O)[O-])c1N ZINC000369476140 556607389 /nfs/dbraw/zinc/60/73/89/556607389.db2.gz ITVXCDZZYOUSSL-ZDUSSCGKSA-N 1 1 365.455 2.009 20 5 FEBDMO CC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000369530844 556622666 /nfs/dbraw/zinc/62/26/66/556622666.db2.gz ILVLYGHTMCLBDY-KZNAEPCWSA-N 1 1 350.415 2.288 20 5 FEBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000369530844 556622669 /nfs/dbraw/zinc/62/26/69/556622669.db2.gz ILVLYGHTMCLBDY-KZNAEPCWSA-N 1 1 350.415 2.288 20 5 FEBDMO C[C@@H](CCNC(=O)c1ccnc(N)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000516313892 562039591 /nfs/dbraw/zinc/03/95/91/562039591.db2.gz ULRNEENECUHUQD-ZDUSSCGKSA-N 1 1 357.414 2.212 20 5 FEBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)NCCC1=CCCCC1 ZINC000369692031 556669489 /nfs/dbraw/zinc/66/94/89/556669489.db2.gz GSUFCUSJWYMMDS-UHFFFAOYSA-N 1 1 361.446 2.435 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369795613 556697482 /nfs/dbraw/zinc/69/74/82/556697482.db2.gz TVSZFPCLUYRBSU-XYJFISCASA-N 1 1 358.442 2.263 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963292 556743126 /nfs/dbraw/zinc/74/31/26/556743126.db2.gz QGIRYRHXGJEYLU-FDPIWHGQSA-N 1 1 363.458 2.107 20 5 FEBDMO CCc1ccc(C(=O)N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC000370000191 556753952 /nfs/dbraw/zinc/75/39/52/556753952.db2.gz XNODVKBIFYTTDS-INIZCTEOSA-N 1 1 374.485 2.257 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[S@](=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000370210568 556812084 /nfs/dbraw/zinc/81/20/84/556812084.db2.gz RBBRFWKTPRIXFF-OIRASMEMSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[S@](=O)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000370210568 556812087 /nfs/dbraw/zinc/81/20/87/556812087.db2.gz RBBRFWKTPRIXFF-OIRASMEMSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1cc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352410 556847675 /nfs/dbraw/zinc/84/76/75/556847675.db2.gz YSPKKLVLEFDESM-GJZGRUSLSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352410 556847678 /nfs/dbraw/zinc/84/76/78/556847678.db2.gz YSPKKLVLEFDESM-GJZGRUSLSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352410 556847679 /nfs/dbraw/zinc/84/76/79/556847679.db2.gz YSPKKLVLEFDESM-GJZGRUSLSA-N 1 1 360.414 2.246 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000370698588 556943500 /nfs/dbraw/zinc/94/35/00/556943500.db2.gz OHPOFFBCRSVOMI-CQSZACIVSA-N 1 1 361.402 2.128 20 5 FEBDMO CCc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)n1 ZINC000370737569 556954043 /nfs/dbraw/zinc/95/40/43/556954043.db2.gz GQJSPAIWMRUKPR-CQSZACIVSA-N 1 1 369.425 2.426 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@@H]2[C@H]1c1ccccc1 ZINC000371052487 557059263 /nfs/dbraw/zinc/05/92/63/557059263.db2.gz ILFAGLKDPXQEMM-XOKHGSTOSA-N 1 1 368.393 2.070 20 5 FEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000371125411 557081815 /nfs/dbraw/zinc/08/18/15/557081815.db2.gz AIXSKHPXWIKJSA-OAHLLOKOSA-N 1 1 371.441 2.481 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000371254666 557120896 /nfs/dbraw/zinc/12/08/96/557120896.db2.gz YJUOJRBGJVGPAY-DZFIZOCASA-N 1 1 367.405 2.464 20 5 FEBDMO CC(C)N1CC[NH+](C2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000371342324 557153363 /nfs/dbraw/zinc/15/33/63/557153363.db2.gz XASDUNZPFDRADX-UHFFFAOYSA-N 1 1 360.458 2.225 20 5 FEBDMO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371492063 557198714 /nfs/dbraw/zinc/19/87/14/557198714.db2.gz AKGDGIVLNZIJMU-DOTOQJQBSA-N 1 1 371.441 2.208 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000371802171 557297232 /nfs/dbraw/zinc/29/72/32/557297232.db2.gz JTSOKXFFWQRPPJ-UHFFFAOYSA-N 1 1 351.428 2.101 20 5 FEBDMO CCN(C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000372289774 557431272 /nfs/dbraw/zinc/43/12/72/557431272.db2.gz RHVKHEBVIVZHFT-MRXNPFEDSA-N 1 1 357.414 2.481 20 5 FEBDMO CCN(C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000372289774 557431275 /nfs/dbraw/zinc/43/12/75/557431275.db2.gz RHVKHEBVIVZHFT-MRXNPFEDSA-N 1 1 357.414 2.481 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000372925982 557589572 /nfs/dbraw/zinc/58/95/72/557589572.db2.gz CMRPXGYYGDHIFQ-FIXIBIHLSA-N 1 1 355.797 2.253 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)cn1 ZINC000373122421 557633377 /nfs/dbraw/zinc/63/33/77/557633377.db2.gz FKVRHZJAVBGVEM-UHFFFAOYSA-N 1 1 367.321 2.465 20 5 FEBDMO CC(C)NC(=O)c1ccc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000373672499 557736086 /nfs/dbraw/zinc/73/60/86/557736086.db2.gz IEPDOFADDIGQBG-HUUCEWRRSA-N 1 1 362.430 2.008 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1c1ccc(F)cc1 ZINC000373725220 557745703 /nfs/dbraw/zinc/74/57/03/557745703.db2.gz FRBOCROKXWNUAG-SJORKVTESA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1c1ccc(F)cc1 ZINC000373725220 557745704 /nfs/dbraw/zinc/74/57/04/557745704.db2.gz FRBOCROKXWNUAG-SJORKVTESA-N 1 1 358.373 2.491 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000373929126 557789443 /nfs/dbraw/zinc/78/94/43/557789443.db2.gz LPRXCZYLDDCZSM-UONOGXRCSA-N 1 1 355.398 2.137 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374021713 557809200 /nfs/dbraw/zinc/80/92/00/557809200.db2.gz IMUGYAZPPXSNGL-BBRMVZONSA-N 1 1 355.398 2.137 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000374022344 557809768 /nfs/dbraw/zinc/80/97/68/557809768.db2.gz PFPMWINCOIEFKX-YRGRVCCFSA-N 1 1 353.444 2.370 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000374377322 557874805 /nfs/dbraw/zinc/87/48/05/557874805.db2.gz JOYVCPUEYYOSTH-CYBMUJFWSA-N 1 1 366.393 2.228 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1 ZINC000374550187 557898372 /nfs/dbraw/zinc/89/83/72/557898372.db2.gz HPRUKOJYYVAODU-CHWSQXEVSA-N 1 1 362.352 2.207 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000374871254 557944114 /nfs/dbraw/zinc/94/41/14/557944114.db2.gz CPUKKCLBBMETKG-KSSFIOAISA-N 1 1 360.458 2.378 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000374871254 557944116 /nfs/dbraw/zinc/94/41/16/557944116.db2.gz CPUKKCLBBMETKG-KSSFIOAISA-N 1 1 360.458 2.378 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1OC ZINC000375017026 557964707 /nfs/dbraw/zinc/96/47/07/557964707.db2.gz GFHODUGVZIGKEZ-SWLSCSKDSA-N 1 1 363.414 2.168 20 5 FEBDMO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)nn1 ZINC000375173991 557987359 /nfs/dbraw/zinc/98/73/59/557987359.db2.gz DODNWNLFYPJXOJ-CQSZACIVSA-N 1 1 359.386 2.118 20 5 FEBDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)nn1 ZINC000375173991 557987361 /nfs/dbraw/zinc/98/73/61/557987361.db2.gz DODNWNLFYPJXOJ-CQSZACIVSA-N 1 1 359.386 2.118 20 5 FEBDMO NC(=O)[C@]1(O)CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000375520158 558042376 /nfs/dbraw/zinc/04/23/76/558042376.db2.gz SGFSSHGURKVMCG-KRWDZBQOSA-N 1 1 361.423 2.136 20 5 FEBDMO O=C(CC[N@H+]1CCCC[C@@H]1CN1CCCC1=O)Nc1ccccc1[N+](=O)[O-] ZINC000375594877 558054248 /nfs/dbraw/zinc/05/42/48/558054248.db2.gz BZCGABJNVYNAGK-OAHLLOKOSA-N 1 1 374.441 2.400 20 5 FEBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000375723507 558073105 /nfs/dbraw/zinc/07/31/05/558073105.db2.gz QBTIIXLDRFDDIC-KRWDZBQOSA-N 1 1 365.434 2.267 20 5 FEBDMO CC(C)(C)OC(=O)N1CCC[C@]2(CC[N@H+]2CCn2cc([N+](=O)[O-])cn2)C1 ZINC000375723507 558073106 /nfs/dbraw/zinc/07/31/06/558073106.db2.gz QBTIIXLDRFDDIC-KRWDZBQOSA-N 1 1 365.434 2.267 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000375802185 558081592 /nfs/dbraw/zinc/08/15/92/558081592.db2.gz RBLLVMMQPCSIMP-UHFFFAOYSA-N 1 1 360.389 2.108 20 5 FEBDMO CCN1C(=O)[C@@H]2C[N@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCN2C1=O ZINC000375841471 558088138 /nfs/dbraw/zinc/08/81/38/558088138.db2.gz NUYDTJKHRCLVFB-INIZCTEOSA-N 1 1 360.414 2.187 20 5 FEBDMO CCN1C(=O)[C@@H]2C[N@@H+](Cc3ccc(C(C)C)c([N+](=O)[O-])c3)CCN2C1=O ZINC000375841471 558088140 /nfs/dbraw/zinc/08/81/40/558088140.db2.gz NUYDTJKHRCLVFB-INIZCTEOSA-N 1 1 360.414 2.187 20 5 FEBDMO O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522650437 562200976 /nfs/dbraw/zinc/20/09/76/562200976.db2.gz MUVPRTBEWWKNNK-GFCCVEGCSA-N 1 1 353.806 2.370 20 5 FEBDMO O=C(N=c1cc(-c2cccc([N+](=O)[O-])c2)[nH][nH]1)[C@H]1CCCc2[nH+]ccn21 ZINC000377783125 558419205 /nfs/dbraw/zinc/41/92/05/558419205.db2.gz QFMMUTYWOUMQFT-CQSZACIVSA-N 1 1 352.354 2.698 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000378642495 558599719 /nfs/dbraw/zinc/59/97/19/558599719.db2.gz PGNFLGVEPDYUBY-INIZCTEOSA-N 1 1 359.357 2.486 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000378642495 558599723 /nfs/dbraw/zinc/59/97/23/558599723.db2.gz PGNFLGVEPDYUBY-INIZCTEOSA-N 1 1 359.357 2.486 20 5 FEBDMO Cc1nn(CCC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000523944788 562221902 /nfs/dbraw/zinc/22/19/02/562221902.db2.gz WBCHFQHDAORSPR-OKILXGFUSA-N 1 1 365.478 2.282 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000408063816 558642833 /nfs/dbraw/zinc/64/28/33/558642833.db2.gz XCXVKLSFGRVBCR-KBPBESRZSA-N 1 1 373.862 2.462 20 5 FEBDMO C[C@@H]1CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)[C@@H](C)C[N@H+]1C ZINC000408067950 558643422 /nfs/dbraw/zinc/64/34/22/558643422.db2.gz GAOYLTUNQVPSRS-CABCVRRESA-N 1 1 360.458 2.362 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000411132424 558842512 /nfs/dbraw/zinc/84/25/12/558842512.db2.gz JYXAQRUYBPOTKD-KGLIPLIRSA-N 1 1 362.430 2.221 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C)[C@H]2CO)c([N+](=O)[O-])c1 ZINC000411401364 558888319 /nfs/dbraw/zinc/88/83/19/558888319.db2.gz XHYDFKMEGQXKRA-BLLLJJGKSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000411601525 558927102 /nfs/dbraw/zinc/92/71/02/558927102.db2.gz ANWBWWQSPNGFCT-RWMBFGLXSA-N 1 1 351.403 2.430 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000411666195 558939312 /nfs/dbraw/zinc/93/93/12/558939312.db2.gz MEKRABIHBRJDNR-KRWDZBQOSA-N 1 1 370.409 2.472 20 5 FEBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411776766 558960424 /nfs/dbraw/zinc/96/04/24/558960424.db2.gz XOHSFVWOSFBBEQ-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000525819731 562256190 /nfs/dbraw/zinc/25/61/90/562256190.db2.gz RSHBBKAJMQYAIO-JTQLQIEISA-N 1 1 361.851 2.177 20 5 FEBDMO NC(=O)[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000411976625 558998493 /nfs/dbraw/zinc/99/84/93/558998493.db2.gz ITXUAXCZJJDURS-JKSUJKDBSA-N 1 1 355.394 2.175 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000412051132 559006836 /nfs/dbraw/zinc/00/68/36/559006836.db2.gz VVSAALOLMHRBEW-MJBXVCDLSA-N 1 1 363.414 2.025 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)cccc1[N+](=O)[O-] ZINC000412086731 559011863 /nfs/dbraw/zinc/01/18/63/559011863.db2.gz RIDXRKCJXQLVFR-CQSZACIVSA-N 1 1 362.430 2.221 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000412094380 559012880 /nfs/dbraw/zinc/01/28/80/559012880.db2.gz DXAZPSVEJRYLNJ-KRWDZBQOSA-N 1 1 360.370 2.420 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000412094380 559012882 /nfs/dbraw/zinc/01/28/82/559012882.db2.gz DXAZPSVEJRYLNJ-KRWDZBQOSA-N 1 1 360.370 2.420 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412289770 559025304 /nfs/dbraw/zinc/02/53/04/559025304.db2.gz NWFLNAHJRSIUOL-MDASCCDHSA-N 1 1 373.453 2.410 20 5 FEBDMO CCN1CC[NH+]([C@@H]2CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000413135029 559081623 /nfs/dbraw/zinc/08/16/23/559081623.db2.gz LUSJGSCJQULUMI-QGZVFWFLSA-N 1 1 355.442 2.359 20 5 FEBDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159992 559151291 /nfs/dbraw/zinc/15/12/91/559151291.db2.gz XIDMEYPSFWCPHW-QAPCUYQASA-N 1 1 364.442 2.472 20 5 FEBDMO COC(=O)COc1ccc(CNCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000414807348 559188824 /nfs/dbraw/zinc/18/88/24/559188824.db2.gz CRYBURGFPJIMNF-ZDUSSCGKSA-N 1 1 373.409 2.456 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000416435857 559312641 /nfs/dbraw/zinc/31/26/41/559312641.db2.gz HBFHOVKUTLBSKU-UHFFFAOYSA-N 1 1 366.443 2.427 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1C ZINC000416500422 559318036 /nfs/dbraw/zinc/31/80/36/559318036.db2.gz HALGAFLRSBBGFP-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000417385258 559360374 /nfs/dbraw/zinc/36/03/74/559360374.db2.gz LWURSGCGTHHRGC-XJKSGUPXSA-N 1 1 365.384 2.347 20 5 FEBDMO [NH3+]C[C@@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420460983 559488633 /nfs/dbraw/zinc/48/86/33/559488633.db2.gz SXNFSXGXCOISLO-VXNVDRBHSA-N 1 1 368.242 2.307 20 5 FEBDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000420921514 559511529 /nfs/dbraw/zinc/51/15/29/559511529.db2.gz DBHYXHPOKDZEEY-MSOLQXFVSA-N 1 1 362.405 2.389 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000421767320 559552568 /nfs/dbraw/zinc/55/25/68/559552568.db2.gz ALWIDWLOFBGKMU-UHFFFAOYSA-N 1 1 362.474 2.310 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000421767320 559552569 /nfs/dbraw/zinc/55/25/69/559552569.db2.gz ALWIDWLOFBGKMU-UHFFFAOYSA-N 1 1 362.474 2.310 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000421771562 559552744 /nfs/dbraw/zinc/55/27/44/559552744.db2.gz MFQAFHVEMJWBJO-UHFFFAOYSA-N 1 1 362.474 2.215 20 5 FEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000423693289 559636216 /nfs/dbraw/zinc/63/62/16/559636216.db2.gz RVIJCTYTPNWDOX-CYBMUJFWSA-N 1 1 360.183 2.131 20 5 FEBDMO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425427400 559701726 /nfs/dbraw/zinc/70/17/26/559701726.db2.gz UMTAZRIHSZHAJG-JTQLQIEISA-N 1 1 356.220 2.445 20 5 FEBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000425427400 559701727 /nfs/dbraw/zinc/70/17/27/559701727.db2.gz UMTAZRIHSZHAJG-JTQLQIEISA-N 1 1 356.220 2.445 20 5 FEBDMO COCC[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000426530270 559737038 /nfs/dbraw/zinc/73/70/38/559737038.db2.gz OKAFVCYFFDRMNS-QGZVFWFLSA-N 1 1 360.414 2.233 20 5 FEBDMO C[C@H]1C[C@H]1[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H](C)C1 ZINC000429018053 559788806 /nfs/dbraw/zinc/78/88/06/559788806.db2.gz HJLRYJNQJDXQBA-RVKKMQEKSA-N 1 1 372.469 2.146 20 5 FEBDMO C[N@H+](CCCNC(=O)C1CCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429548815 559801017 /nfs/dbraw/zinc/80/10/17/559801017.db2.gz RBPDEPRXAUFYFQ-UHFFFAOYSA-N 1 1 373.413 2.383 20 5 FEBDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000429548815 559801018 /nfs/dbraw/zinc/80/10/18/559801018.db2.gz RBPDEPRXAUFYFQ-UHFFFAOYSA-N 1 1 373.413 2.383 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429559152 559801531 /nfs/dbraw/zinc/80/15/31/559801531.db2.gz WGGRBRLVADQFRZ-ZDUSSCGKSA-N 1 1 362.430 2.160 20 5 FEBDMO CCC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCNCC1 ZINC000431070112 559833276 /nfs/dbraw/zinc/83/32/76/559833276.db2.gz XPEQHQACGZVVGD-UHFFFAOYSA-N 1 1 362.430 2.357 20 5 FEBDMO CCC[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCNCC1 ZINC000431070112 559833277 /nfs/dbraw/zinc/83/32/77/559833277.db2.gz XPEQHQACGZVVGD-UHFFFAOYSA-N 1 1 362.430 2.357 20 5 FEBDMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000434493774 559901504 /nfs/dbraw/zinc/90/15/04/559901504.db2.gz VSGFUJHBCSPSBS-CYBMUJFWSA-N 1 1 364.475 2.047 20 5 FEBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000439475804 559995119 /nfs/dbraw/zinc/99/51/19/559995119.db2.gz FNARGMLZMCYZOH-SFHVURJKSA-N 1 1 366.414 2.395 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000440801692 560018384 /nfs/dbraw/zinc/01/83/84/560018384.db2.gz RGWDBSKJDWVUPH-SECBINFHSA-N 1 1 368.242 2.322 20 5 FEBDMO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440820822 560019051 /nfs/dbraw/zinc/01/90/51/560019051.db2.gz ZVELCSXWMNQORA-OIBJUYFYSA-N 1 1 368.242 2.178 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443328632 560080344 /nfs/dbraw/zinc/08/03/44/560080344.db2.gz QNCYITVQHLTZBF-SLEUVZQESA-N 1 1 351.403 2.023 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443328632 560080345 /nfs/dbraw/zinc/08/03/45/560080345.db2.gz QNCYITVQHLTZBF-SLEUVZQESA-N 1 1 351.403 2.023 20 5 FEBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000443653111 560089249 /nfs/dbraw/zinc/08/92/49/560089249.db2.gz LHSBLNBSYHKBLW-BETUJISGSA-N 1 1 353.394 2.353 20 5 FEBDMO COC(=O)COc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1[N+](=O)[O-] ZINC000446966242 560154356 /nfs/dbraw/zinc/15/43/56/560154356.db2.gz LSEOTAYVURDXIY-UHFFFAOYSA-N 1 1 356.338 2.057 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448325851 560184949 /nfs/dbraw/zinc/18/49/49/560184949.db2.gz SZXNKDFAYPKLLG-OAHLLOKOSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@@]12C[N@H+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555951 560189779 /nfs/dbraw/zinc/18/97/79/560189779.db2.gz NSHANPLCDLUPSN-ILKHFPFNSA-N 1 1 367.405 2.371 20 5 FEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1N1CCN(C)CC1 ZINC000449104444 560216302 /nfs/dbraw/zinc/21/63/02/560216302.db2.gz FQZLSXBGYVHYFW-MRXNPFEDSA-N 1 1 369.469 2.462 20 5 FEBDMO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449464779 560231041 /nfs/dbraw/zinc/23/10/41/560231041.db2.gz ZIRXWYFGFNIXLP-USXIJHARSA-N 1 1 360.414 2.059 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+]1C ZINC000449931058 560245611 /nfs/dbraw/zinc/24/56/11/560245611.db2.gz XWALEBNSBCUYBF-DZGCQCFKSA-N 1 1 357.414 2.335 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449956783 560246335 /nfs/dbraw/zinc/24/63/35/560246335.db2.gz AXKDMDSGLSLUTB-QGZVFWFLSA-N 1 1 357.414 2.397 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000450182425 560253107 /nfs/dbraw/zinc/25/31/07/560253107.db2.gz CHTGFGSOCAIZED-UHFFFAOYSA-N 1 1 368.397 2.448 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC([N@@H+](C)CCCO)CC1 ZINC000450338238 560259111 /nfs/dbraw/zinc/25/91/11/560259111.db2.gz JTWSBTBTNSAZMA-UHFFFAOYSA-N 1 1 374.441 2.435 20 5 FEBDMO CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000450562313 560266289 /nfs/dbraw/zinc/26/62/89/560266289.db2.gz GOMLKZVOQUMRKK-OAHLLOKOSA-N 1 1 371.397 2.248 20 5 FEBDMO CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000450562313 560266290 /nfs/dbraw/zinc/26/62/90/560266290.db2.gz GOMLKZVOQUMRKK-OAHLLOKOSA-N 1 1 371.397 2.248 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CCC[N@@H+]1CCCO ZINC000450594307 560267413 /nfs/dbraw/zinc/26/74/13/560267413.db2.gz KFJITEXPXLTNRZ-LLVKDONJSA-N 1 1 359.224 2.011 20 5 FEBDMO CCc1cc(N2CC[N@@H+](CCO)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450960220 560280054 /nfs/dbraw/zinc/28/00/54/560280054.db2.gz ZVRDWLIRNKELFJ-AWEZNQCLSA-N 1 1 371.441 2.117 20 5 FEBDMO C[C@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@H+](C2CC2)C1 ZINC000451096388 560286901 /nfs/dbraw/zinc/28/69/01/560286901.db2.gz XCQAHMKTLUOXEE-AWEZNQCLSA-N 1 1 374.441 2.309 20 5 FEBDMO C[C@@H]1CN(C2CC2)CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000451096388 560286902 /nfs/dbraw/zinc/28/69/02/560286902.db2.gz XCQAHMKTLUOXEE-AWEZNQCLSA-N 1 1 374.441 2.309 20 5 FEBDMO C[C@@H]1CN(C2CC2)CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000451096388 560286903 /nfs/dbraw/zinc/28/69/03/560286903.db2.gz XCQAHMKTLUOXEE-AWEZNQCLSA-N 1 1 374.441 2.309 20 5 FEBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451260548 560296479 /nfs/dbraw/zinc/29/64/79/560296479.db2.gz UTXQOOXBQWTZMW-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451759848 560326961 /nfs/dbraw/zinc/32/69/61/560326961.db2.gz SICMNOPIODADBX-VWLOTQADSA-N 1 1 367.471 2.465 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451759848 560326962 /nfs/dbraw/zinc/32/69/62/560326962.db2.gz SICMNOPIODADBX-VWLOTQADSA-N 1 1 367.471 2.465 20 5 FEBDMO CO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451845656 560332088 /nfs/dbraw/zinc/33/20/88/560332088.db2.gz ITQOLMIEAJCNRA-XOKHGSTOSA-N 1 1 350.415 2.224 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451861537 560332989 /nfs/dbraw/zinc/33/29/89/560332989.db2.gz XSHAPCIZLUMGNQ-HOTGVXAUSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451861537 560332990 /nfs/dbraw/zinc/33/29/90/560332990.db2.gz XSHAPCIZLUMGNQ-HOTGVXAUSA-N 1 1 363.414 2.431 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000452085293 560350262 /nfs/dbraw/zinc/35/02/62/560350262.db2.gz JXVQHWYSMAYZLE-UHFFFAOYSA-N 1 1 361.851 2.401 20 5 FEBDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000452092243 560350799 /nfs/dbraw/zinc/35/07/99/560350799.db2.gz UHIJWVZXMIYJKC-LBPRGKRZSA-N 1 1 365.386 2.011 20 5 FEBDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000452092243 560350800 /nfs/dbraw/zinc/35/08/00/560350800.db2.gz UHIJWVZXMIYJKC-LBPRGKRZSA-N 1 1 365.386 2.011 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000452098684 560351099 /nfs/dbraw/zinc/35/10/99/560351099.db2.gz AVPRYLMJKCIOKS-NSHDSACASA-N 1 1 361.851 2.351 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452382812 560362089 /nfs/dbraw/zinc/36/20/89/560362089.db2.gz NAXXHSPPNBBZDM-CYBMUJFWSA-N 1 1 367.471 2.283 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452786246 560373963 /nfs/dbraw/zinc/37/39/63/560373963.db2.gz XFHDFKSUEVCCRA-CYBMUJFWSA-N 1 1 355.822 2.133 20 5 FEBDMO CNc1nc(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000454287210 560437993 /nfs/dbraw/zinc/43/79/93/560437993.db2.gz MZWAZIUCLJUKDE-HNNXBMFYSA-N 1 1 373.413 2.073 20 5 FEBDMO CNc1nc(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000455993899 560503825 /nfs/dbraw/zinc/50/38/25/560503825.db2.gz LWXWEYSFSHPVFL-CYBMUJFWSA-N 1 1 357.414 2.282 20 5 FEBDMO CCNC(=O)C1C[NH+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000459609686 560697669 /nfs/dbraw/zinc/69/76/69/560697669.db2.gz QWTXEMOWBMIUBQ-UHFFFAOYSA-N 1 1 359.382 2.431 20 5 FEBDMO COc1cc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)ccc1[N+](=O)[O-] ZINC000465364365 560863963 /nfs/dbraw/zinc/86/39/63/560863963.db2.gz KLZVKFWSQNOGEB-UHFFFAOYSA-N 1 1 372.381 2.356 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000467424389 560909774 /nfs/dbraw/zinc/90/97/74/560909774.db2.gz SOXKVRWOQJASFZ-LBPRGKRZSA-N 1 1 359.473 2.214 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000469251292 560951120 /nfs/dbraw/zinc/95/11/20/560951120.db2.gz VBXMCAJTOVPIAI-GASCZTMLSA-N 1 1 374.441 2.117 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000469251292 560951121 /nfs/dbraw/zinc/95/11/21/560951121.db2.gz VBXMCAJTOVPIAI-GASCZTMLSA-N 1 1 374.441 2.117 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000469274423 560951507 /nfs/dbraw/zinc/95/15/07/560951507.db2.gz SICMMXOFFGUQAF-CQSZACIVSA-N 1 1 374.441 2.384 20 5 FEBDMO C[C@@H](C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000470105887 560974516 /nfs/dbraw/zinc/97/45/16/560974516.db2.gz RIYNAVJCNBKPJI-UONOGXRCSA-N 1 1 367.421 2.455 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470913204 560993820 /nfs/dbraw/zinc/99/38/20/560993820.db2.gz MSIQUWWJCSERIK-PXAZEXFGSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470913204 560993819 /nfs/dbraw/zinc/99/38/19/560993819.db2.gz MSIQUWWJCSERIK-PXAZEXFGSA-N 1 1 351.403 2.431 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000472074391 561017396 /nfs/dbraw/zinc/01/73/96/561017396.db2.gz NMFJIUOGHXWFMC-UHFFFAOYSA-N 1 1 354.359 2.003 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](CO)c1ccsc1 ZINC000473158405 561043028 /nfs/dbraw/zinc/04/30/28/561043028.db2.gz DRWOBBFYRWZEIA-IINYFYTJSA-N 1 1 365.411 2.315 20 5 FEBDMO Cc1c(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000473295485 561046873 /nfs/dbraw/zinc/04/68/73/561046873.db2.gz XSZFZGGSXWDZLF-OAHLLOKOSA-N 1 1 374.441 2.032 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000473932592 561061032 /nfs/dbraw/zinc/06/10/32/561061032.db2.gz MDNLUDOPHMUSOC-GXTWGEPZSA-N 1 1 355.460 2.302 20 5 FEBDMO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000475568747 561100067 /nfs/dbraw/zinc/10/00/67/561100067.db2.gz FNEGPJQXVQFXPK-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000475584456 561100402 /nfs/dbraw/zinc/10/04/02/561100402.db2.gz YUZJHJWDHAKVKN-CQSZACIVSA-N 1 1 350.419 2.444 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000475692788 561102447 /nfs/dbraw/zinc/10/24/47/561102447.db2.gz BFFYJNVRFJQQGT-AWEZNQCLSA-N 1 1 352.387 2.005 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000476646536 561125182 /nfs/dbraw/zinc/12/51/82/561125182.db2.gz GKGDDTZNRVVYSU-WFASDCNBSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000476646536 561125183 /nfs/dbraw/zinc/12/51/83/561125183.db2.gz GKGDDTZNRVVYSU-WFASDCNBSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000477006946 561134199 /nfs/dbraw/zinc/13/41/99/561134199.db2.gz BACXNSBDZKPGOM-IAQYHMDHSA-N 1 1 363.443 2.203 20 5 FEBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000532392673 562476201 /nfs/dbraw/zinc/47/62/01/562476201.db2.gz WUBFTBAMYYSSON-RDTXWAMCSA-N 1 1 370.409 2.009 20 5 FEBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000532392673 562476202 /nfs/dbraw/zinc/47/62/02/562476202.db2.gz WUBFTBAMYYSSON-RDTXWAMCSA-N 1 1 370.409 2.009 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCO)CC2)c([N+](=O)[O-])c1 ZINC000533282437 562503748 /nfs/dbraw/zinc/50/37/48/562503748.db2.gz UJJWPPQZNFDIHO-LBPRGKRZSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000533866799 562520196 /nfs/dbraw/zinc/52/01/96/562520196.db2.gz MSQAWPIIPKYAJG-CYBMUJFWSA-N 1 1 373.413 2.155 20 5 FEBDMO COCCO[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000535578113 562561935 /nfs/dbraw/zinc/56/19/35/562561935.db2.gz AXIBSOMVDXHLHK-HNNXBMFYSA-N 1 1 354.403 2.110 20 5 FEBDMO CS[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC000536470850 562576297 /nfs/dbraw/zinc/57/62/97/562576297.db2.gz DQIXEXFTKGFGBE-CVEARBPZSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1[NH+](C)C ZINC000536470850 562576298 /nfs/dbraw/zinc/57/62/98/562576298.db2.gz DQIXEXFTKGFGBE-CVEARBPZSA-N 1 1 366.487 2.209 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000541762860 562619337 /nfs/dbraw/zinc/61/93/37/562619337.db2.gz NDHZVYVJXFKMAF-UHFFFAOYSA-N 1 1 356.350 2.437 20 5 FEBDMO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751090 568175279 /nfs/dbraw/zinc/17/52/79/568175279.db2.gz XRVQJSBCBPCPCP-IRXDYDNUSA-N 1 1 365.474 2.292 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751090 568175280 /nfs/dbraw/zinc/17/52/80/568175280.db2.gz XRVQJSBCBPCPCP-IRXDYDNUSA-N 1 1 365.474 2.292 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000604529780 568310776 /nfs/dbraw/zinc/31/07/76/568310776.db2.gz RNHUFZMVMJSKOR-UHFFFAOYSA-N 1 1 368.397 2.300 20 5 FEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000569828518 568427966 /nfs/dbraw/zinc/42/79/66/568427966.db2.gz NGBCRHRFPNGWDV-AWEZNQCLSA-N 1 1 367.471 2.389 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000569828518 568427967 /nfs/dbraw/zinc/42/79/67/568427967.db2.gz NGBCRHRFPNGWDV-AWEZNQCLSA-N 1 1 367.471 2.389 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000557462509 674449699 /nfs/dbraw/zinc/44/96/99/674449699.db2.gz DDTYGOKKQHVIKU-LLVKDONJSA-N 1 1 352.416 2.023 20 5 FEBDMO C[NH+](C)Cc1cnc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000809537671 674496120 /nfs/dbraw/zinc/49/61/20/674496120.db2.gz AXABUPFKAJQLHA-UHFFFAOYSA-N 1 1 361.471 2.435 20 5 FEBDMO CC1(C)CC(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000560263090 674573834 /nfs/dbraw/zinc/57/38/34/674573834.db2.gz WJCMWFXDLNDQNW-CQSZACIVSA-N 1 1 351.447 2.233 20 5 FEBDMO Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814599 675015602 /nfs/dbraw/zinc/01/56/02/675015602.db2.gz UZRXAOBFRIZUTM-YALNPMBYSA-N 1 1 363.845 2.204 20 5 FEBDMO Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814599 675015604 /nfs/dbraw/zinc/01/56/04/675015604.db2.gz UZRXAOBFRIZUTM-YALNPMBYSA-N 1 1 363.845 2.204 20 5 FEBDMO Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC3[N+](=O)[O-])C[C@H]2C1 ZINC001048814599 675015605 /nfs/dbraw/zinc/01/56/05/675015605.db2.gz UZRXAOBFRIZUTM-YALNPMBYSA-N 1 1 363.845 2.204 20 5 FEBDMO C[C@@H]1CN=C(N2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000079497271 670606355 /nfs/dbraw/zinc/60/63/55/670606355.db2.gz DCEJKMSSOISAAT-CQSZACIVSA-N 1 1 364.471 2.473 20 5 FEBDMO C[N@@H+]1CCO[C@@H](CSCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000571083518 670813871 /nfs/dbraw/zinc/81/38/71/670813871.db2.gz PDWMCJQAFNWVSJ-LLVKDONJSA-N 1 1 359.835 2.251 20 5 FEBDMO C[N@H+]1CCO[C@@H](CSCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000571083518 670813880 /nfs/dbraw/zinc/81/38/80/670813880.db2.gz PDWMCJQAFNWVSJ-LLVKDONJSA-N 1 1 359.835 2.251 20 5 FEBDMO CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3c[nH]nc3[N+](=O)[O-])sc2C1 ZINC000566134640 675185001 /nfs/dbraw/zinc/18/50/01/675185001.db2.gz IAPDNOHSMZWIMX-UHFFFAOYSA-N 1 1 350.404 2.183 20 5 FEBDMO CC(C)[NH+](CCNCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000574939085 671287511 /nfs/dbraw/zinc/28/75/11/671287511.db2.gz AKXFEHXAXREICY-UHFFFAOYSA-N 1 1 357.476 2.077 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000576070543 671341915 /nfs/dbraw/zinc/34/19/15/671341915.db2.gz WJKXEEGREKTVCA-TXEJJXNPSA-N 1 1 351.403 2.167 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576580863 671379151 /nfs/dbraw/zinc/37/91/51/671379151.db2.gz KACTWEMMENLOTJ-XHSDSOJGSA-N 1 1 350.415 2.226 20 5 FEBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000608812977 675904682 /nfs/dbraw/zinc/90/46/82/675904682.db2.gz UMNODSHTBHTFJY-UHFFFAOYSA-N 1 1 351.451 2.249 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000580984465 671852954 /nfs/dbraw/zinc/85/29/54/671852954.db2.gz AHURJHXFSDKZME-LBPRGKRZSA-N 1 1 358.464 2.035 20 5 FEBDMO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1[N+](=O)[O-] ZINC000610133758 675955839 /nfs/dbraw/zinc/95/58/39/675955839.db2.gz TWURPKONSDLKTE-CHWSQXEVSA-N 1 1 350.419 2.476 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000610134982 675956398 /nfs/dbraw/zinc/95/63/98/675956398.db2.gz ICEHETOULDFPGK-KGLIPLIRSA-N 1 1 355.460 2.397 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000128840865 672053496 /nfs/dbraw/zinc/05/34/96/672053496.db2.gz ZSZUXMFIGJJFKK-IYBDPMFKSA-N 1 1 351.447 2.405 20 5 FEBDMO COCCN1[C@H](C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000128840865 672053497 /nfs/dbraw/zinc/05/34/97/672053497.db2.gz ZSZUXMFIGJJFKK-IYBDPMFKSA-N 1 1 351.447 2.405 20 5 FEBDMO COCCN1[C@H](C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000128840865 672053499 /nfs/dbraw/zinc/05/34/99/672053499.db2.gz ZSZUXMFIGJJFKK-IYBDPMFKSA-N 1 1 351.447 2.405 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+](C)C1CCCC1 ZINC000132384917 672097639 /nfs/dbraw/zinc/09/76/39/672097639.db2.gz PFLWKJCEKHGNNN-UHFFFAOYSA-N 1 1 359.423 2.195 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583866933 672133533 /nfs/dbraw/zinc/13/35/33/672133533.db2.gz LYNSBTNAAPIQCJ-UXLLHSPISA-N 1 1 351.447 2.187 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583866933 672133535 /nfs/dbraw/zinc/13/35/35/672133535.db2.gz LYNSBTNAAPIQCJ-UXLLHSPISA-N 1 1 351.447 2.187 20 5 FEBDMO C[C@@]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000154614590 672219274 /nfs/dbraw/zinc/21/92/74/672219274.db2.gz LFTURXOPLNKRJP-WBVHZDCISA-N 1 1 363.801 2.272 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cccc([N+](=O)[O-])c1Br ZINC000159095176 672277532 /nfs/dbraw/zinc/27/75/32/672277532.db2.gz SSCKADSLGROWKW-VIFPVBQESA-N 1 1 354.204 2.324 20 5 FEBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)CO ZINC000589254086 672516939 /nfs/dbraw/zinc/51/69/39/672516939.db2.gz BGRYBEHKZWIELJ-UHFFFAOYSA-N 1 1 364.183 2.402 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590046968 672556431 /nfs/dbraw/zinc/55/64/31/672556431.db2.gz QEUYGKLGAQXGHI-HZMBPMFUSA-N 1 1 368.231 2.442 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590441779 672582851 /nfs/dbraw/zinc/58/28/51/672582851.db2.gz DWTBQEMPEBTJDY-SMDDNHRTSA-N 1 1 353.806 2.180 20 5 FEBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000590554810 672589230 /nfs/dbraw/zinc/58/92/30/672589230.db2.gz FTFXZPLPFIXFOZ-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000590662187 672599408 /nfs/dbraw/zinc/59/94/08/672599408.db2.gz BQZWZEDCLWOJBT-GWCFXTLKSA-N 1 1 362.304 2.127 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000590662187 672599411 /nfs/dbraw/zinc/59/94/11/672599411.db2.gz BQZWZEDCLWOJBT-GWCFXTLKSA-N 1 1 362.304 2.127 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000590662188 672599504 /nfs/dbraw/zinc/59/95/04/672599504.db2.gz BQZWZEDCLWOJBT-GXFFZTMASA-N 1 1 362.304 2.127 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000590662188 672599509 /nfs/dbraw/zinc/59/95/09/672599509.db2.gz BQZWZEDCLWOJBT-GXFFZTMASA-N 1 1 362.304 2.127 20 5 FEBDMO C[C@@H](CSc1ccccc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593045599 672867409 /nfs/dbraw/zinc/86/74/09/672867409.db2.gz JIOXKCXNRXUUAT-ZFWWWQNUSA-N 1 1 350.444 2.265 20 5 FEBDMO C[C@H](CCO)[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000593107702 672877506 /nfs/dbraw/zinc/87/75/06/672877506.db2.gz MUWLBZJDULWUDH-LLVKDONJSA-N 1 1 364.427 2.360 20 5 FEBDMO C[C@H](CCO)[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000593107702 672877509 /nfs/dbraw/zinc/87/75/09/672877509.db2.gz MUWLBZJDULWUDH-LLVKDONJSA-N 1 1 364.427 2.360 20 5 FEBDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C(=O)N1c1cnn(C)c1 ZINC000612185431 676072671 /nfs/dbraw/zinc/07/26/71/676072671.db2.gz CVTOCWBEUSHFOV-MEBBXXQBSA-N 1 1 363.805 2.265 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000725825296 673092953 /nfs/dbraw/zinc/09/29/53/673092953.db2.gz WVRPYTBXBHDUNH-RYUDHWBXSA-N 1 1 359.835 2.153 20 5 FEBDMO CC(C)Oc1nc(NCCC[N@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594577451 673101238 /nfs/dbraw/zinc/10/12/38/673101238.db2.gz ZZBMNBVLTPPPAL-AWEZNQCLSA-N 1 1 352.435 2.690 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000594789269 673142784 /nfs/dbraw/zinc/14/27/84/673142784.db2.gz KHWSSFDZFLBOAP-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000594789269 673142787 /nfs/dbraw/zinc/14/27/87/673142787.db2.gz KHWSSFDZFLBOAP-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594792486 673144560 /nfs/dbraw/zinc/14/45/60/673144560.db2.gz RIEWCMUPTNOLEH-ZDUSSCGKSA-N 1 1 355.460 2.302 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594793104 673144898 /nfs/dbraw/zinc/14/48/98/673144898.db2.gz UYNBYWHFDYYPQE-CQSZACIVSA-N 1 1 355.460 2.135 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595409659 673245455 /nfs/dbraw/zinc/24/54/55/673245455.db2.gz FMNNHMUDPJJDHB-HNNXBMFYSA-N 1 1 367.471 2.304 20 5 FEBDMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc(F)cc2[N+](=O)[O-])c1 ZINC000595416376 673247637 /nfs/dbraw/zinc/24/76/37/673247637.db2.gz VZJKZSYXLPIPDY-LLVKDONJSA-N 1 1 367.402 2.493 20 5 FEBDMO C[C@H](CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000732034443 673351173 /nfs/dbraw/zinc/35/11/73/673351173.db2.gz FWNBDYALJYIWSH-SECBINFHSA-N 1 1 363.386 2.486 20 5 FEBDMO COC(=O)c1c(Cl)c(N[C@@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000596250440 673371882 /nfs/dbraw/zinc/37/18/82/673371882.db2.gz PBVZEYPVWSPVFV-LLVKDONJSA-N 1 1 371.821 2.294 20 5 FEBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596476330 673388520 /nfs/dbraw/zinc/38/85/20/673388520.db2.gz CRZOAIWDQJQALS-GFCCVEGCSA-N 1 1 368.459 2.061 20 5 FEBDMO COC(=O)c1c(Cl)c(NC2CC([NH+]3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000599095468 673632868 /nfs/dbraw/zinc/63/28/68/673632868.db2.gz VXPCEPZTNBXGJX-UHFFFAOYSA-N 1 1 369.805 2.310 20 5 FEBDMO C[C@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599104757 673633768 /nfs/dbraw/zinc/63/37/68/673633768.db2.gz NNVPXROHZNAURM-CBAPKCEASA-N 1 1 368.242 2.320 20 5 FEBDMO CCOC(=O)c1sc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)nc1C ZINC000543548555 673652752 /nfs/dbraw/zinc/65/27/52/673652752.db2.gz VKAOXVBVEJLFRZ-JTQLQIEISA-N 1 1 353.404 2.084 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[NH+](CC2CC2)CC1 ZINC000740866489 673658027 /nfs/dbraw/zinc/65/80/27/673658027.db2.gz SSNLZICECIQUFW-UHFFFAOYSA-N 1 1 351.378 2.443 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C ZINC000740894707 673659709 /nfs/dbraw/zinc/65/97/09/673659709.db2.gz VSHLHQCEXPCIAZ-NEPJUHHUSA-N 1 1 359.423 2.227 20 5 FEBDMO COc1cc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000599542844 673689830 /nfs/dbraw/zinc/68/98/30/673689830.db2.gz FHLUVSVJJUGGBX-HNNXBMFYSA-N 1 1 350.415 2.357 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1 ZINC000599544274 673690088 /nfs/dbraw/zinc/69/00/88/673690088.db2.gz YTVILXIFKPALNU-INIZCTEOSA-N 1 1 350.415 2.227 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C[C@@]1(C)CCCS1 ZINC000600164976 673745387 /nfs/dbraw/zinc/74/53/87/673745387.db2.gz MPZIGAKFPSBWJY-OAHLLOKOSA-N 1 1 373.500 2.091 20 5 FEBDMO COCCc1ncc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601149530 673829331 /nfs/dbraw/zinc/82/93/31/673829331.db2.gz NPQPMFYYQDGDJC-MRXNPFEDSA-N 1 1 351.428 2.238 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)CCCO1 ZINC000601155911 673829578 /nfs/dbraw/zinc/82/95/78/673829578.db2.gz OIKPZWSVTWRCDT-JTQLQIEISA-N 1 1 365.356 2.260 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000746053465 673862366 /nfs/dbraw/zinc/86/23/66/673862366.db2.gz LDBRYYBLEKOVGF-ZDUSSCGKSA-N 1 1 371.434 2.086 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000602768901 673910624 /nfs/dbraw/zinc/91/06/24/673910624.db2.gz WVCGRUXFPXFGDW-UHFFFAOYSA-N 1 1 351.794 2.324 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000602768901 673910628 /nfs/dbraw/zinc/91/06/28/673910628.db2.gz WVCGRUXFPXFGDW-UHFFFAOYSA-N 1 1 351.794 2.324 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000602846450 673911755 /nfs/dbraw/zinc/91/17/55/673911755.db2.gz OPTVDZMCGRLPIB-JSGCOSHPSA-N 1 1 352.435 2.399 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+](CCN2CCOCC2)[C@@H]2CCSC2)cs1 ZINC000602880489 673912838 /nfs/dbraw/zinc/91/28/38/673912838.db2.gz GIPOQTYUWANMIJ-CQSZACIVSA-N 1 1 357.501 2.296 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+](CCN2CCOCC2)[C@@H]2CCSC2)cs1 ZINC000602880489 673912841 /nfs/dbraw/zinc/91/28/41/673912841.db2.gz GIPOQTYUWANMIJ-CQSZACIVSA-N 1 1 357.501 2.296 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000567763903 675319814 /nfs/dbraw/zinc/31/98/14/675319814.db2.gz UAXFYARMXLZUFN-NSHDSACASA-N 1 1 352.416 2.023 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000822931083 675517248 /nfs/dbraw/zinc/51/72/48/675517248.db2.gz KAHDUAYQDCABBR-STQMWFEESA-N 1 1 369.849 2.094 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000825456186 675653823 /nfs/dbraw/zinc/65/38/23/675653823.db2.gz MAZRQLANKKKVHM-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000825644194 675662040 /nfs/dbraw/zinc/66/20/40/675662040.db2.gz XRDAGTDIALJUQE-NWDGAFQWSA-N 1 1 353.806 2.150 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000825863572 675671651 /nfs/dbraw/zinc/67/16/51/675671651.db2.gz SQHPXLOAQMFLRR-AWEZNQCLSA-N 1 1 366.849 2.100 20 5 FEBDMO O=C1CC[C@H]2C[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000827139766 675733065 /nfs/dbraw/zinc/73/30/65/675733065.db2.gz DXVYHZULXXRCFY-GXFFZTMASA-N 1 1 368.231 2.458 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000827139766 675733067 /nfs/dbraw/zinc/73/30/67/675733067.db2.gz DXVYHZULXXRCFY-GXFFZTMASA-N 1 1 368.231 2.458 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000603640473 675800275 /nfs/dbraw/zinc/80/02/75/675800275.db2.gz GIVICHSIPYKUAU-UONOGXRCSA-N 1 1 355.460 2.444 20 5 FEBDMO Cc1sc(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000604489577 675805211 /nfs/dbraw/zinc/80/52/11/675805211.db2.gz NXVOSOTYRJWRSF-CYBMUJFWSA-N 1 1 353.444 2.292 20 5 FEBDMO Cc1sc(C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000604489577 675805213 /nfs/dbraw/zinc/80/52/13/675805213.db2.gz NXVOSOTYRJWRSF-CYBMUJFWSA-N 1 1 353.444 2.292 20 5 FEBDMO COC(=O)CC[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000839491514 680756564 /nfs/dbraw/zinc/75/65/64/680756564.db2.gz IABHQYRESVWKSZ-UHFFFAOYSA-N 1 1 357.794 2.460 20 5 FEBDMO COC(=O)CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000839491514 680756565 /nfs/dbraw/zinc/75/65/65/680756565.db2.gz IABHQYRESVWKSZ-UHFFFAOYSA-N 1 1 357.794 2.460 20 5 FEBDMO C[C@@H]1CCSCC[N@@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840051310 680795159 /nfs/dbraw/zinc/79/51/59/680795159.db2.gz BLUQTZTWQAUVAE-WBMJQRKESA-N 1 1 351.428 2.317 20 5 FEBDMO C[C@@H]1CCSCC[N@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840051310 680795160 /nfs/dbraw/zinc/79/51/60/680795160.db2.gz BLUQTZTWQAUVAE-WBMJQRKESA-N 1 1 351.428 2.317 20 5 FEBDMO COC(=O)[C@H]1CSCC[N@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000840186915 680805866 /nfs/dbraw/zinc/80/58/66/680805866.db2.gz SFJAOFJQXKOLRX-GFCCVEGCSA-N 1 1 364.427 2.048 20 5 FEBDMO COC(=O)[C@H]1CSCC[N@@H+](Cn2nc(C)c3cc([N+](=O)[O-])ccc32)C1 ZINC000840186915 680805868 /nfs/dbraw/zinc/80/58/68/680805868.db2.gz SFJAOFJQXKOLRX-GFCCVEGCSA-N 1 1 364.427 2.048 20 5 FEBDMO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832285722 680120064 /nfs/dbraw/zinc/12/00/64/680120064.db2.gz WOZQMLUQWYZHNO-DOMZBBRYSA-N 1 1 361.364 2.444 20 5 FEBDMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832285722 680120065 /nfs/dbraw/zinc/12/00/65/680120065.db2.gz WOZQMLUQWYZHNO-DOMZBBRYSA-N 1 1 361.364 2.444 20 5 FEBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2c(Cl)oc3ccccc32)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063715 680193443 /nfs/dbraw/zinc/19/34/43/680193443.db2.gz IQHFBBHAJJHJTK-IQOUGMIPSA-N 1 1 363.801 2.488 20 5 FEBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc(C(F)F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983655819 680318654 /nfs/dbraw/zinc/31/86/54/680318654.db2.gz WCEMYWIOUJMKOP-NMFUWQPSSA-N 1 1 353.369 2.274 20 5 FEBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643087 680436593 /nfs/dbraw/zinc/43/65/93/680436593.db2.gz JQUMWTBBMKVUBD-KLHDSHLOSA-N 1 1 353.369 2.147 20 5 FEBDMO O=C(NCC1CC[NH+](CCc2ccccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399267 680460431 /nfs/dbraw/zinc/46/04/31/680460431.db2.gz LFNICNJQBKZDAX-NVXWUHKLSA-N 1 1 365.861 2.376 20 5 FEBDMO Cc1c(C(=O)NCC[N@H+]2CCCC2(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837177165 680563780 /nfs/dbraw/zinc/56/37/80/680563780.db2.gz NSSQHUPXRAQGTD-UHFFFAOYSA-N 1 1 350.375 2.416 20 5 FEBDMO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837186123 680565165 /nfs/dbraw/zinc/56/51/65/680565165.db2.gz NCQQYVOBJRKSGC-LBPRGKRZSA-N 1 1 350.375 2.366 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)OCCn1cc[nH+]c1C ZINC000838095097 680672830 /nfs/dbraw/zinc/67/28/30/680672830.db2.gz JUCVAERNUWUUOB-UHFFFAOYSA-N 1 1 350.306 2.054 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766247734 680871601 /nfs/dbraw/zinc/87/16/01/680871601.db2.gz IIGCYTMKCRQNSR-GHMZBOCLSA-N 1 1 350.375 2.366 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000766247734 680871602 /nfs/dbraw/zinc/87/16/02/680871602.db2.gz IIGCYTMKCRQNSR-GHMZBOCLSA-N 1 1 350.375 2.366 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000768712230 680955782 /nfs/dbraw/zinc/95/57/82/680955782.db2.gz NZVYVWKXLDAQQY-CQSZACIVSA-N 1 1 366.849 2.100 20 5 FEBDMO CNC(=O)[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769403669 680981382 /nfs/dbraw/zinc/98/13/82/680981382.db2.gz JUWRBTOLHTXLQL-JTQLQIEISA-N 1 1 356.220 2.315 20 5 FEBDMO CNC(=O)[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769403669 680981384 /nfs/dbraw/zinc/98/13/84/680981384.db2.gz JUWRBTOLHTXLQL-JTQLQIEISA-N 1 1 356.220 2.315 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000844643417 681069985 /nfs/dbraw/zinc/06/99/85/681069985.db2.gz RFIILMARVNXINP-UTUOFQBUSA-N 1 1 352.410 2.353 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000773853535 681157581 /nfs/dbraw/zinc/15/75/81/681157581.db2.gz WDBUSJSMVBVFLV-NSHDSACASA-N 1 1 350.394 2.014 20 5 FEBDMO COCC[N@H+]1CC[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000932264553 681208981 /nfs/dbraw/zinc/20/89/81/681208981.db2.gz ZOIQAGSZAYTBON-LBPRGKRZSA-N 1 1 355.822 2.018 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000933433180 681411045 /nfs/dbraw/zinc/41/10/45/681411045.db2.gz CHBPMYMSGBWAMX-GZMMTYOYSA-N 1 1 358.801 2.382 20 5 FEBDMO C[N@H+]1CC[C@H](CCOC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000847822437 681436996 /nfs/dbraw/zinc/43/69/96/681436996.db2.gz CCKAYDTVSFVUQI-GFCCVEGCSA-N 1 1 351.359 2.321 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000849411795 681719980 /nfs/dbraw/zinc/71/99/80/681719980.db2.gz TWKQOKILLGLADJ-LLVKDONJSA-N 1 1 359.423 2.133 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000779892627 681767203 /nfs/dbraw/zinc/76/72/03/681767203.db2.gz JLEJBDLPONAXRZ-GFCCVEGCSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000779892627 681767205 /nfs/dbraw/zinc/76/72/05/681767205.db2.gz JLEJBDLPONAXRZ-GFCCVEGCSA-N 1 1 373.862 2.414 20 5 FEBDMO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000913536257 685479486 /nfs/dbraw/zinc/47/94/86/685479486.db2.gz OESQGYSXUDITKN-TXEJJXNPSA-N 1 1 354.204 2.276 20 5 FEBDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000913536257 685479487 /nfs/dbraw/zinc/47/94/87/685479487.db2.gz OESQGYSXUDITKN-TXEJJXNPSA-N 1 1 354.204 2.276 20 5 FEBDMO O=C(CC[N@@H+](C1CC1)C1(CO)CCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000852158939 682229770 /nfs/dbraw/zinc/22/97/70/682229770.db2.gz KCIIDQOSMJJXSD-UHFFFAOYSA-N 1 1 351.378 2.442 20 5 FEBDMO O=C(C[N@@H+](CCOCCO)C1CCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852293096 682255610 /nfs/dbraw/zinc/25/56/10/682255610.db2.gz SZIKRHVJYMYWRY-UHFFFAOYSA-N 1 1 371.821 2.050 20 5 FEBDMO O=C(C[N@H+](CCOCCO)C1CCC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852293096 682255612 /nfs/dbraw/zinc/25/56/12/682255612.db2.gz SZIKRHVJYMYWRY-UHFFFAOYSA-N 1 1 371.821 2.050 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000917829215 685534890 /nfs/dbraw/zinc/53/48/90/685534890.db2.gz OZCIBMTWPBMYLK-CJNGLKHVSA-N 1 1 350.419 2.066 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000790448806 682678576 /nfs/dbraw/zinc/67/85/76/682678576.db2.gz CZKLPKHUHLNQBW-OAHLLOKOSA-N 1 1 373.450 2.441 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000856478579 682787296 /nfs/dbraw/zinc/78/72/96/682787296.db2.gz CYWLCGVOLIJEMM-GFCCVEGCSA-N 1 1 350.394 2.168 20 5 FEBDMO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC(C)(C)OC1=O ZINC000795661471 683077824 /nfs/dbraw/zinc/07/78/24/683077824.db2.gz LQTGCOHBGQDFRT-CYBMUJFWSA-N 1 1 353.350 2.088 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CC(C)(C)OC1=O ZINC000795661471 683077827 /nfs/dbraw/zinc/07/78/27/683077827.db2.gz LQTGCOHBGQDFRT-CYBMUJFWSA-N 1 1 353.350 2.088 20 5 FEBDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000859532091 683124240 /nfs/dbraw/zinc/12/42/40/683124240.db2.gz UMMLHIWDQTUWGI-HNNXBMFYSA-N 1 1 353.419 2.475 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860444468 683244281 /nfs/dbraw/zinc/24/42/81/683244281.db2.gz ABVNWLLVUFRBJV-UHFFFAOYSA-N 1 1 355.822 2.167 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929619824 683618298 /nfs/dbraw/zinc/61/82/98/683618298.db2.gz LHTZTIYFXRJMDH-SNVBAGLBSA-N 1 1 356.220 2.315 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929619824 683618301 /nfs/dbraw/zinc/61/83/01/683618301.db2.gz LHTZTIYFXRJMDH-SNVBAGLBSA-N 1 1 356.220 2.315 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930716560 683775468 /nfs/dbraw/zinc/77/54/68/683775468.db2.gz OMYJDGAOMPSMAA-SNVBAGLBSA-N 1 1 356.220 2.267 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930716560 683775473 /nfs/dbraw/zinc/77/54/73/683775473.db2.gz OMYJDGAOMPSMAA-SNVBAGLBSA-N 1 1 356.220 2.267 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)CC[C@@H]2N1 ZINC000930995313 683815433 /nfs/dbraw/zinc/81/54/33/683815433.db2.gz ANLLNLHQIIVDPC-YGRLFVJLSA-N 1 1 368.231 2.458 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)CC[C@@H]2N1 ZINC000930995313 683815437 /nfs/dbraw/zinc/81/54/37/683815437.db2.gz ANLLNLHQIIVDPC-YGRLFVJLSA-N 1 1 368.231 2.458 20 5 FEBDMO CC[NH+]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000864390923 683845094 /nfs/dbraw/zinc/84/50/94/683845094.db2.gz JATWXRPVDSPPBS-UHFFFAOYSA-N 1 1 356.220 2.064 20 5 FEBDMO CCN1CCN([C@H](C)C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866233138 684085003 /nfs/dbraw/zinc/08/50/03/684085003.db2.gz RPKDUBIQSZRFIT-LSDHHAIUSA-N 1 1 352.454 2.281 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000866893891 684175842 /nfs/dbraw/zinc/17/58/42/684175842.db2.gz UQJWCILCEUFVIT-ZDUSSCGKSA-N 1 1 373.450 2.395 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000866972199 684189509 /nfs/dbraw/zinc/18/95/09/684189509.db2.gz NQKLZRBUKMBBBK-OCCSQVGLSA-N 1 1 371.434 2.147 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000866994384 684193191 /nfs/dbraw/zinc/19/31/91/684193191.db2.gz RLAXKIPCYHPZMR-UHFFFAOYSA-N 1 1 370.406 2.258 20 5 FEBDMO O=C1CC2(CCOCC2)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000872286754 684935012 /nfs/dbraw/zinc/93/50/12/684935012.db2.gz QLVYRIRJCIZDLH-UHFFFAOYSA-N 1 1 353.806 2.119 20 5 FEBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000872286754 684935014 /nfs/dbraw/zinc/93/50/14/684935014.db2.gz QLVYRIRJCIZDLH-UHFFFAOYSA-N 1 1 353.806 2.119 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC1CC([NH+]2CCOCC2)C1 ZINC000911561140 685225222 /nfs/dbraw/zinc/22/52/22/685225222.db2.gz KHSFQODODSXKPN-UHFFFAOYSA-N 1 1 367.833 2.160 20 5 FEBDMO CC(C)(C)S(=O)(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000878525170 686601390 /nfs/dbraw/zinc/60/13/90/686601390.db2.gz YEISYCVVDZKOAX-UHFFFAOYSA-N 1 1 358.464 2.032 20 5 FEBDMO C[C@]12C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880013092 686972885 /nfs/dbraw/zinc/97/28/85/686972885.db2.gz FALRSNYNQCPHQE-CALCHBBNSA-N 1 1 368.455 2.120 20 5 FEBDMO C[C@]12C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000880013092 686972891 /nfs/dbraw/zinc/97/28/91/686972891.db2.gz FALRSNYNQCPHQE-CALCHBBNSA-N 1 1 368.455 2.120 20 5 FEBDMO CC[N@H+]1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000882487601 687375950 /nfs/dbraw/zinc/37/59/50/687375950.db2.gz GVZKWZJSMNWZHG-LBPRGKRZSA-N 1 1 356.220 2.110 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884956019 687974201 /nfs/dbraw/zinc/97/42/01/687974201.db2.gz XPNJHFXWSJKMSO-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000885874847 688175391 /nfs/dbraw/zinc/17/53/91/688175391.db2.gz BIISLPQCCVYOIG-CYBMUJFWSA-N 1 1 353.806 2.231 20 5 FEBDMO CC1(C)CC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000890072266 688875236 /nfs/dbraw/zinc/87/52/36/688875236.db2.gz PUOPGIYIQPTQSX-UHFFFAOYSA-N 1 1 371.235 2.214 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000894048445 689456214 /nfs/dbraw/zinc/45/62/14/689456214.db2.gz WKQGNLKDDMCSQR-IUODEOHRSA-N 1 1 352.822 2.136 20 5 FEBDMO C[C@]1(Br)C[C@@H]1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000894801420 689598911 /nfs/dbraw/zinc/59/89/11/689598911.db2.gz JBWCFKZPCZIECW-RISCZKNCSA-N 1 1 355.236 2.285 20 5 FEBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898490512 690192788 /nfs/dbraw/zinc/19/27/88/690192788.db2.gz SJHZPKHRJSSDOY-OAHLLOKOSA-N 1 1 352.410 2.337 20 5 FEBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898490512 690192792 /nfs/dbraw/zinc/19/27/92/690192792.db2.gz SJHZPKHRJSSDOY-OAHLLOKOSA-N 1 1 352.410 2.337 20 5 FEBDMO C[C@@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)C[NH+]1CCOCC1 ZINC000900784961 690561572 /nfs/dbraw/zinc/56/15/72/690561572.db2.gz YUEPDHHEYYHYEF-JTQLQIEISA-N 1 1 359.785 2.085 20 5 FEBDMO COc1cc([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903154497 690857019 /nfs/dbraw/zinc/85/70/19/690857019.db2.gz ZHZFGNIIUMNSES-LSDHHAIUSA-N 1 1 350.463 2.280 20 5 FEBDMO COc1cc([C@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903154494 690857196 /nfs/dbraw/zinc/85/71/96/690857196.db2.gz ZHZFGNIIUMNSES-CABCVRRESA-N 1 1 350.463 2.280 20 5 FEBDMO C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000907071220 691386764 /nfs/dbraw/zinc/38/67/64/691386764.db2.gz OXTWZVCQHDJKAX-NHYWBVRUSA-N 1 1 355.822 2.016 20 5 FEBDMO C[C@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000907071220 691386768 /nfs/dbraw/zinc/38/67/68/691386768.db2.gz OXTWZVCQHDJKAX-NHYWBVRUSA-N 1 1 355.822 2.016 20 5 FEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1F)C2 ZINC001164814830 720099012 /nfs/dbraw/zinc/09/90/12/720099012.db2.gz WZSFYKJDROZJGN-KDOFPFPSSA-N 1 1 364.421 2.314 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(F)c1 ZINC001164865826 721074255 /nfs/dbraw/zinc/07/42/55/721074255.db2.gz AICZNBOWOJKWOE-CVEARBPZSA-N 1 1 373.388 2.004 20 5 FEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790782 721390776 /nfs/dbraw/zinc/39/07/76/721390776.db2.gz YFFAMFAMUVGXOB-AOOOYVTPSA-N 1 1 366.834 2.063 20 5 FEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164790782 721390777 /nfs/dbraw/zinc/39/07/77/721390777.db2.gz YFFAMFAMUVGXOB-AOOOYVTPSA-N 1 1 366.834 2.063 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164902109 721520517 /nfs/dbraw/zinc/52/05/17/721520517.db2.gz ZGLLPAZGMFXANQ-GDBMZVCRSA-N 1 1 358.373 2.471 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000549639319 674055479 /nfs/dbraw/zinc/05/54/79/674055479.db2.gz HTGIMTHVCQOLRH-YIONKMFJSA-N 1 1 351.451 2.198 20 5 FEBDMO Cc1nn(CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000016626579 539634078 /nfs/dbraw/zinc/63/40/78/539634078.db2.gz AYLLVFHWBBWJFQ-OAHLLOKOSA-N 1 1 371.441 2.314 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020512026 539676131 /nfs/dbraw/zinc/67/61/31/539676131.db2.gz PGVDEKDJRQYOMK-UHFFFAOYSA-N 1 1 355.394 2.318 20 5 FEBDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000026198118 539780512 /nfs/dbraw/zinc/78/05/12/539780512.db2.gz FABFULOAQBMFGP-QWHCGFSZSA-N 1 1 351.403 2.431 20 5 FEBDMO CN1CC[NH+](C(C)(C)CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000043342368 540098398 /nfs/dbraw/zinc/09/83/98/540098398.db2.gz SMRGZYNMZPDCMI-UHFFFAOYSA-N 1 1 369.853 2.396 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000053690873 540550026 /nfs/dbraw/zinc/55/00/26/540550026.db2.gz LEBRRYIACFWLLG-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000053690873 540550027 /nfs/dbraw/zinc/55/00/27/540550027.db2.gz LEBRRYIACFWLLG-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO Cc1noc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054676255 540601704 /nfs/dbraw/zinc/60/17/04/540601704.db2.gz XXJBJYZCUCXBLH-CYBMUJFWSA-N 1 1 359.386 2.494 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000056140902 540706390 /nfs/dbraw/zinc/70/63/90/540706390.db2.gz ZLWFTZPLPMRKTK-AGUYFDCRSA-N 1 1 353.444 2.054 20 5 FEBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000066641804 541353408 /nfs/dbraw/zinc/35/34/08/541353408.db2.gz UKEGSHNLQOVNFP-UHFFFAOYSA-N 1 1 363.414 2.312 20 5 FEBDMO CCN(C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1)S(C)(=O)=O ZINC000066883510 541386029 /nfs/dbraw/zinc/38/60/29/541386029.db2.gz SMRKRNZVEHWPDZ-UHFFFAOYSA-N 1 1 355.460 2.149 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000067382960 541452593 /nfs/dbraw/zinc/45/25/93/541452593.db2.gz NCQCSOBLYAIPNI-CQSZACIVSA-N 1 1 357.414 2.456 20 5 FEBDMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000067393838 541455152 /nfs/dbraw/zinc/45/51/52/541455152.db2.gz JTVUZESTZHMDKL-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067706479 541502550 /nfs/dbraw/zinc/50/25/50/541502550.db2.gz DLQIFYTYAOCVIK-INIZCTEOSA-N 1 1 354.410 2.397 20 5 FEBDMO COc1cc(OCC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000068882474 541636613 /nfs/dbraw/zinc/63/66/13/541636613.db2.gz WWCBLXYEEOCTCZ-ZIAGYGMSSA-N 1 1 365.430 2.219 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069034478 541650100 /nfs/dbraw/zinc/65/01/00/541650100.db2.gz YEUFKNBZEPFRPP-CQSZACIVSA-N 1 1 350.419 2.147 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069428193 541685632 /nfs/dbraw/zinc/68/56/32/541685632.db2.gz CEZZMGLRLPKEQZ-CYBMUJFWSA-N 1 1 361.402 2.114 20 5 FEBDMO CCN1CC[NH+](Cc2ccc(CNc3c([N+](=O)[O-])ncn3C)cc2)CC1 ZINC000071954624 541776340 /nfs/dbraw/zinc/77/63/40/541776340.db2.gz YAFJQCBEFSLEKY-UHFFFAOYSA-N 1 1 358.446 2.078 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000071895880 541774787 /nfs/dbraw/zinc/77/47/87/541774787.db2.gz VEPRRXWNQCTPRI-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO COC(=O)c1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)o1 ZINC000072665047 541847343 /nfs/dbraw/zinc/84/73/43/541847343.db2.gz ABSDAFFBZKXYTJ-CYBMUJFWSA-N 1 1 360.370 2.364 20 5 FEBDMO COC(=O)c1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)o1 ZINC000072665047 541847345 /nfs/dbraw/zinc/84/73/45/541847345.db2.gz ABSDAFFBZKXYTJ-CYBMUJFWSA-N 1 1 360.370 2.364 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000072665162 541847458 /nfs/dbraw/zinc/84/74/58/541847458.db2.gz HOPAWBQERYACSA-YOEHRIQHSA-N 1 1 367.409 2.282 20 5 FEBDMO O=C1[C@@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000072665162 541847461 /nfs/dbraw/zinc/84/74/61/541847461.db2.gz HOPAWBQERYACSA-YOEHRIQHSA-N 1 1 367.409 2.282 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000072855592 541882171 /nfs/dbraw/zinc/88/21/71/541882171.db2.gz XYLPXUDPGQOQGY-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO Cc1cc(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ncc1[N+](=O)[O-] ZINC000074740886 542116692 /nfs/dbraw/zinc/11/66/92/542116692.db2.gz JTVINIAZFRSACY-UHFFFAOYSA-N 1 1 369.425 2.298 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000077140534 542348440 /nfs/dbraw/zinc/34/84/40/542348440.db2.gz QOKNZARGHOWKBJ-ZDUSSCGKSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000077140534 542348443 /nfs/dbraw/zinc/34/84/43/542348443.db2.gz QOKNZARGHOWKBJ-ZDUSSCGKSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000077140534 542348447 /nfs/dbraw/zinc/34/84/47/542348447.db2.gz QOKNZARGHOWKBJ-ZDUSSCGKSA-N 1 1 357.414 2.363 20 5 FEBDMO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078207615 542448206 /nfs/dbraw/zinc/44/82/06/542448206.db2.gz QQHGUUIZXSUSGI-FDQGKXFDSA-N 1 1 358.442 2.217 20 5 FEBDMO C[C@](O)(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000078343436 542456402 /nfs/dbraw/zinc/45/64/02/542456402.db2.gz XXGHKMJKKNOYED-AWEZNQCLSA-N 1 1 363.336 2.109 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000079709693 542538474 /nfs/dbraw/zinc/53/84/74/542538474.db2.gz ILVQLWMDQJOWBY-RDJZCZTQSA-N 1 1 371.441 2.351 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000089933238 542776171 /nfs/dbraw/zinc/77/61/71/542776171.db2.gz XSDTVMGIVKAKLX-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1cc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000089959999 542776763 /nfs/dbraw/zinc/77/67/63/542776763.db2.gz ITDNAKQUSUVSPN-OALUTQOASA-N 1 1 369.421 2.268 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1F ZINC000093001796 542900965 /nfs/dbraw/zinc/90/09/65/542900965.db2.gz XWRPOOSDSNEPBJ-NEPJUHHUSA-N 1 1 359.423 2.146 20 5 FEBDMO COC(=O)c1ccccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534197 542933304 /nfs/dbraw/zinc/93/33/04/542933304.db2.gz WMNXIZGMZWFGKV-AWEZNQCLSA-N 1 1 356.382 2.463 20 5 FEBDMO COC(=O)c1ccccc1C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534197 542933309 /nfs/dbraw/zinc/93/33/09/542933309.db2.gz WMNXIZGMZWFGKV-AWEZNQCLSA-N 1 1 356.382 2.463 20 5 FEBDMO Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000103133623 543094380 /nfs/dbraw/zinc/09/43/80/543094380.db2.gz MYVQISPODTUFRW-MRXNPFEDSA-N 1 1 368.437 2.471 20 5 FEBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106521585 543233098 /nfs/dbraw/zinc/23/30/98/543233098.db2.gz VEOUNGJLJCEEEV-AWEZNQCLSA-N 1 1 361.446 2.323 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106791202 543247334 /nfs/dbraw/zinc/24/73/34/543247334.db2.gz ZMHKRRJPFGEMHR-GFCCVEGCSA-N 1 1 351.378 2.246 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000107325694 543266325 /nfs/dbraw/zinc/26/63/25/543266325.db2.gz QLEGNLLMUOUCSP-QGZVFWFLSA-N 1 1 361.446 2.229 20 5 FEBDMO C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[N@H+]1CCC[C@H](C)C1 ZINC000109986185 543345695 /nfs/dbraw/zinc/34/56/95/543345695.db2.gz MWKCHWVNIGDFBR-STQMWFEESA-N 1 1 372.425 2.287 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000110993885 543377967 /nfs/dbraw/zinc/37/79/67/543377967.db2.gz FJULWRLJLUCABG-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000110994974 543377991 /nfs/dbraw/zinc/37/79/91/543377991.db2.gz SKPOIKNLLYFRCO-MRXNPFEDSA-N 1 1 372.429 2.088 20 5 FEBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCn1cccn1 ZINC000111279535 543392477 /nfs/dbraw/zinc/39/24/77/543392477.db2.gz HEHLVTLDMIPBRT-NSHDSACASA-N 1 1 351.794 2.404 20 5 FEBDMO C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCn1cccn1 ZINC000111279535 543392479 /nfs/dbraw/zinc/39/24/79/543392479.db2.gz HEHLVTLDMIPBRT-NSHDSACASA-N 1 1 351.794 2.404 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1=O ZINC000112852324 543465145 /nfs/dbraw/zinc/46/51/45/543465145.db2.gz KGVADHMQVPDBQZ-HUUCEWRRSA-N 1 1 374.441 2.175 20 5 FEBDMO COC[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112988492 543471115 /nfs/dbraw/zinc/47/11/15/543471115.db2.gz JAGREUJHEGYFER-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113306197 543483810 /nfs/dbraw/zinc/48/38/10/543483810.db2.gz BFWXHMQXSJPWCF-JQWIXIFHSA-N 1 1 373.862 2.414 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000113301457 543483373 /nfs/dbraw/zinc/48/33/73/543483373.db2.gz DBTIOXNFNZRLNL-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO CCC[N@H+]1CCCN(CC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])CC1 ZINC000114463550 543518605 /nfs/dbraw/zinc/51/86/05/543518605.db2.gz RCNQLJMQSCDFFH-UHFFFAOYSA-N 1 1 364.446 2.350 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000115586065 543575797 /nfs/dbraw/zinc/57/57/97/543575797.db2.gz NTOMMVDPKJQOCE-NSHDSACASA-N 1 1 361.851 2.211 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000123896947 543789998 /nfs/dbraw/zinc/78/99/98/543789998.db2.gz YILCWGZIQKIPKK-IUODEOHRSA-N 1 1 363.414 2.326 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cccc1[N+](=O)[O-] ZINC000124970522 543854176 /nfs/dbraw/zinc/85/41/76/543854176.db2.gz RSWQSHBHSFXZIP-RHSMWYFYSA-N 1 1 374.441 2.222 20 5 FEBDMO Cc1c(NC(=O)CCN2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000125238922 543869637 /nfs/dbraw/zinc/86/96/37/543869637.db2.gz WJVHYKOZUFSCSM-UHFFFAOYSA-N 1 1 369.425 2.449 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1C ZINC000126277319 543928038 /nfs/dbraw/zinc/92/80/38/543928038.db2.gz BNKPEEYIAZLIGN-DGCLKSJQSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1C ZINC000126277319 543928040 /nfs/dbraw/zinc/92/80/40/543928040.db2.gz BNKPEEYIAZLIGN-DGCLKSJQSA-N 1 1 353.444 2.115 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126471226 543937688 /nfs/dbraw/zinc/93/76/88/543937688.db2.gz JKNNZQJAXOIELF-YOEHRIQHSA-N 1 1 358.442 2.482 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000128547695 544059002 /nfs/dbraw/zinc/05/90/02/544059002.db2.gz AVPGKGJYMFCIJN-CYBMUJFWSA-N 1 1 361.402 2.187 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129857800 544129715 /nfs/dbraw/zinc/12/97/15/544129715.db2.gz BWPKEFIAFDRTAB-KRWDZBQOSA-N 1 1 363.462 2.475 20 5 FEBDMO CC(C)OC(=O)[C@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000130115772 544139171 /nfs/dbraw/zinc/13/91/71/544139171.db2.gz RCSBHPWZUKYRDQ-LBPRGKRZSA-N 1 1 365.386 2.165 20 5 FEBDMO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000130115772 544139173 /nfs/dbraw/zinc/13/91/73/544139173.db2.gz RCSBHPWZUKYRDQ-LBPRGKRZSA-N 1 1 365.386 2.165 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)C2CC2)cc1 ZINC000130821720 544166702 /nfs/dbraw/zinc/16/67/02/544166702.db2.gz VLOLPNIIFNQKBE-ROUUACIJSA-N 1 1 350.415 2.116 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000078644242 221670112 /nfs/dbraw/zinc/67/01/12/221670112.db2.gz AOTNQDYHEUYXMN-GFCCVEGCSA-N 1 1 356.810 2.481 20 5 FEBDMO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141575986 544413552 /nfs/dbraw/zinc/41/35/52/544413552.db2.gz MTNZBZQZMADMHW-KRWDZBQOSA-N 1 1 355.398 2.091 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3ccc(Cl)cn3)CC2)c1 ZINC000137010222 544382926 /nfs/dbraw/zinc/38/29/26/544382926.db2.gz KSTGIGBGOPREBU-INIZCTEOSA-N 1 1 362.817 2.499 20 5 FEBDMO COc1ccccc1[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000137051409 544383976 /nfs/dbraw/zinc/38/39/76/544383976.db2.gz BRJPCVQODUKTEV-CQSZACIVSA-N 1 1 373.413 2.284 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000146584621 544440325 /nfs/dbraw/zinc/44/03/25/544440325.db2.gz MEHNDJSSESHUEU-OAHLLOKOSA-N 1 1 353.444 2.016 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000152559835 544667556 /nfs/dbraw/zinc/66/75/56/544667556.db2.gz BNIATEDEHCFMPA-UHFFFAOYSA-N 1 1 372.400 2.416 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153047897 544727017 /nfs/dbraw/zinc/72/70/17/544727017.db2.gz PCRFFJRSWLJBGQ-AGIUHOORSA-N 1 1 351.403 2.166 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153047897 544727021 /nfs/dbraw/zinc/72/70/21/544727021.db2.gz PCRFFJRSWLJBGQ-AGIUHOORSA-N 1 1 351.403 2.166 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](C)CC1 ZINC000152709019 544686809 /nfs/dbraw/zinc/68/68/09/544686809.db2.gz GVGFIEAVSUVGLH-MRXNPFEDSA-N 1 1 368.865 2.250 20 5 FEBDMO O=c1n2ccccc2nn1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153308214 544759651 /nfs/dbraw/zinc/75/96/51/544759651.db2.gz XUOUSIVWRSPUFV-UHFFFAOYSA-N 1 1 353.382 2.069 20 5 FEBDMO O=c1n2ccccc2nn1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153308214 544759655 /nfs/dbraw/zinc/75/96/55/544759655.db2.gz XUOUSIVWRSPUFV-UHFFFAOYSA-N 1 1 353.382 2.069 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000154353942 544895634 /nfs/dbraw/zinc/89/56/34/544895634.db2.gz STHSYQKLHPOOST-CQSZACIVSA-N 1 1 351.451 2.153 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000155115791 544991880 /nfs/dbraw/zinc/99/18/80/544991880.db2.gz FJQNEUSHGSYIDU-OAHLLOKOSA-N 1 1 355.460 2.088 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000803493088 674245836 /nfs/dbraw/zinc/24/58/36/674245836.db2.gz JDWLBMFJZKXXQS-WFASDCNBSA-N 1 1 351.403 2.360 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000187460725 328027257 /nfs/dbraw/zinc/02/72/57/328027257.db2.gz AJJDXLVMAIRVQP-MRXNPFEDSA-N 1 1 371.441 2.277 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000187986976 328058520 /nfs/dbraw/zinc/05/85/20/328058520.db2.gz RYMNPCLIEHOITL-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1CC(C)(C)O ZINC000188617799 328099107 /nfs/dbraw/zinc/09/91/07/328099107.db2.gz YVHWURNSDZCBBU-CYBMUJFWSA-N 1 1 372.425 2.060 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000189144737 328131163 /nfs/dbraw/zinc/13/11/63/328131163.db2.gz WJCYGILVOFCKLP-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1CCO ZINC000190248346 328196577 /nfs/dbraw/zinc/19/65/77/328196577.db2.gz YSLOGYLIJINIQC-CYBMUJFWSA-N 1 1 362.455 2.217 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H]2CO)c([N+](=O)[O-])cc1OCC(F)F ZINC000190410233 328206106 /nfs/dbraw/zinc/20/61/06/328206106.db2.gz FWZRDEIXBOMNPG-GXFFZTMASA-N 1 1 360.357 2.450 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000191710692 328278356 /nfs/dbraw/zinc/27/83/56/328278356.db2.gz UXODXLKRVJRREQ-ZFWWWQNUSA-N 1 1 357.414 2.062 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000191716854 328278516 /nfs/dbraw/zinc/27/85/16/328278516.db2.gz JKBXCQJYYFNZIW-MRXNPFEDSA-N 1 1 371.441 2.452 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000191757412 328280296 /nfs/dbraw/zinc/28/02/96/328280296.db2.gz VHUFZMBVFOPRGM-ZDUSSCGKSA-N 1 1 365.821 2.497 20 5 FEBDMO CCOC(=O)c1ccnc(N(C)CC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000078455434 325046189 /nfs/dbraw/zinc/04/61/89/325046189.db2.gz GHNYAMCGBPICET-CYBMUJFWSA-N 1 1 350.419 2.477 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000078650793 325055821 /nfs/dbraw/zinc/05/58/21/325055821.db2.gz WHVNJXFICKQJNK-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000079541196 325096134 /nfs/dbraw/zinc/09/61/34/325096134.db2.gz DHPZOZICKFVCFA-UHFFFAOYSA-N 1 1 363.336 2.312 20 5 FEBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000080147867 325120305 /nfs/dbraw/zinc/12/03/05/325120305.db2.gz PUVOPXIXDHNKMS-AWEZNQCLSA-N 1 1 364.446 2.097 20 5 FEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000083249252 325217697 /nfs/dbraw/zinc/21/76/97/325217697.db2.gz NROSFTDQMQBPLR-HRCADAONSA-N 1 1 354.451 2.068 20 5 FEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000087316821 325279098 /nfs/dbraw/zinc/27/90/98/325279098.db2.gz WXGVOWWITZQTNM-GOSISDBHSA-N 1 1 361.442 2.241 20 5 FEBDMO O=c1[nH]c(CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc2ccccc21 ZINC000088605452 325298642 /nfs/dbraw/zinc/29/86/42/325298642.db2.gz NCRQLCZNXLDGBB-UHFFFAOYSA-N 1 1 350.378 2.432 20 5 FEBDMO O=c1[nH]c(CC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)nc2ccccc21 ZINC000088605452 325298645 /nfs/dbraw/zinc/29/86/45/325298645.db2.gz NCRQLCZNXLDGBB-UHFFFAOYSA-N 1 1 350.378 2.432 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000090461679 325359750 /nfs/dbraw/zinc/35/97/50/325359750.db2.gz ZBNWHJOUSAYGPC-CHWSQXEVSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000090461679 325359751 /nfs/dbraw/zinc/35/97/51/325359751.db2.gz ZBNWHJOUSAYGPC-CHWSQXEVSA-N 1 1 353.806 2.231 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000090552059 325363277 /nfs/dbraw/zinc/36/32/77/325363277.db2.gz ZBARNFQFJLXMRZ-SFHVURJKSA-N 1 1 357.410 2.090 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000090551954 325363522 /nfs/dbraw/zinc/36/35/22/325363522.db2.gz MZCNJYPBOIQTSW-HIFRSBDPSA-N 1 1 363.439 2.406 20 5 FEBDMO Cn1cc(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091926189 325398227 /nfs/dbraw/zinc/39/82/27/325398227.db2.gz XWYBXAOXKCNKJK-ROUUACIJSA-N 1 1 372.425 2.375 20 5 FEBDMO Cn1cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000091926189 325398229 /nfs/dbraw/zinc/39/82/29/325398229.db2.gz XWYBXAOXKCNKJK-ROUUACIJSA-N 1 1 372.425 2.375 20 5 FEBDMO COCCOC1CC[NH+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000116885891 326039953 /nfs/dbraw/zinc/03/99/53/326039953.db2.gz BDOQAIFWNIYNNX-CQSZACIVSA-N 1 1 365.430 2.358 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000117985640 326076084 /nfs/dbraw/zinc/07/60/84/326076084.db2.gz KEOBFOHGHLMVHP-UHFFFAOYSA-N 1 1 350.419 2.280 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000119673822 326186970 /nfs/dbraw/zinc/18/69/70/326186970.db2.gz OOANDANJAQGHML-GFCCVEGCSA-N 1 1 350.375 2.211 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000120669785 326277409 /nfs/dbraw/zinc/27/74/09/326277409.db2.gz WVKVRQKQNUNRNU-WDEREUQCSA-N 1 1 368.821 2.128 20 5 FEBDMO COCCCOC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122536030 326400689 /nfs/dbraw/zinc/40/06/89/326400689.db2.gz CDFARQQCJMGAMN-UHFFFAOYSA-N 1 1 365.430 2.075 20 5 FEBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133104650 326603092 /nfs/dbraw/zinc/60/30/92/326603092.db2.gz YDHGZWWDEWACSV-UHFFFAOYSA-N 1 1 373.384 2.496 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)s1 ZINC000158420235 326895561 /nfs/dbraw/zinc/89/55/61/326895561.db2.gz GSBYCQAVPGVYLB-UHFFFAOYSA-N 1 1 369.468 2.341 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCOCC1 ZINC000161365255 326996913 /nfs/dbraw/zinc/99/69/13/326996913.db2.gz PSJLFZGHHRRQDS-UHFFFAOYSA-N 1 1 353.444 2.159 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3c([N+](=O)[O-])cnn3C)cc2)C1 ZINC000162081071 327016484 /nfs/dbraw/zinc/01/64/84/327016484.db2.gz QWIMZQDPFNZBBX-CQSZACIVSA-N 1 1 371.441 2.490 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000162723656 327033092 /nfs/dbraw/zinc/03/30/92/327033092.db2.gz JOESIMHDLACJPM-UKRRQHHQSA-N 1 1 357.414 2.443 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(c3cc4c(cc3[N+](=O)[O-])CCC(=O)N4)CC2)CCO1 ZINC000170639718 327089935 /nfs/dbraw/zinc/08/99/35/327089935.db2.gz GKKGRNMJOLATPE-ZDUSSCGKSA-N 1 1 374.441 2.169 20 5 FEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000170801679 327099921 /nfs/dbraw/zinc/09/99/21/327099921.db2.gz WPDGKJXSGVPUOG-IBGZPJMESA-N 1 1 369.421 2.409 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000170962848 327110030 /nfs/dbraw/zinc/11/00/30/327110030.db2.gz SBMRWYSHDTUPTH-QGZVFWFLSA-N 1 1 361.446 2.229 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000171618628 327148612 /nfs/dbraw/zinc/14/86/12/327148612.db2.gz JQCPUZQSBLMEQT-AWEZNQCLSA-N 1 1 357.414 2.391 20 5 FEBDMO CN1CCC(CNC(=O)c2ccc([N+](=O)[O-])s2)([NH+]2CCCCC2)CC1 ZINC000172752549 327216913 /nfs/dbraw/zinc/21/69/13/327216913.db2.gz ZZQRKZSLDBTYFP-UHFFFAOYSA-N 1 1 366.487 2.336 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000172843148 327221914 /nfs/dbraw/zinc/22/19/14/327221914.db2.gz RFDKMDLTAREFMS-CYBMUJFWSA-N 1 1 350.375 2.449 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000173463239 327259156 /nfs/dbraw/zinc/25/91/56/327259156.db2.gz AJTNTCGIBREMBA-CQSZACIVSA-N 1 1 356.382 2.447 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000173572358 327267886 /nfs/dbraw/zinc/26/78/86/327267886.db2.gz PCFRCCKWKCCJJT-INIZCTEOSA-N 1 1 374.441 2.222 20 5 FEBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174194955 327312161 /nfs/dbraw/zinc/31/21/61/327312161.db2.gz UBZXQMFOMRHETI-GFCCVEGCSA-N 1 1 353.806 2.043 20 5 FEBDMO C[N@H+](Cc1ccccc1OC(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174715920 327345301 /nfs/dbraw/zinc/34/53/01/327345301.db2.gz GUWJJPHHFVRIIL-ZDUSSCGKSA-N 1 1 374.319 2.183 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000174818026 327353195 /nfs/dbraw/zinc/35/31/95/327353195.db2.gz FGDYTWKLOFWAJG-MRXNPFEDSA-N 1 1 372.429 2.468 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000264633003 329043006 /nfs/dbraw/zinc/04/30/06/329043006.db2.gz MIZZAMPJOLUART-CQSZACIVSA-N 1 1 358.442 2.409 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264669735 329046476 /nfs/dbraw/zinc/04/64/76/329046476.db2.gz WEUODESJLXXCHV-CQSZACIVSA-N 1 1 358.442 2.409 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264880119 329070490 /nfs/dbraw/zinc/07/04/90/329070490.db2.gz CMOJIAIYOSJUSW-CYBMUJFWSA-N 1 1 363.414 2.360 20 5 FEBDMO CCN1CC[NH+](Cc2ccccc2CNc2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000265092687 329090119 /nfs/dbraw/zinc/09/01/19/329090119.db2.gz AUNGIDRAOHWONN-UHFFFAOYSA-N 1 1 372.473 2.386 20 5 FEBDMO COc1cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980823 329178766 /nfs/dbraw/zinc/17/87/66/329178766.db2.gz YXSQRJHKRGRKHO-QWHCGFSZSA-N 1 1 365.430 2.462 20 5 FEBDMO CC1(C)C[N@H+](CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCO1 ZINC000266190646 329198819 /nfs/dbraw/zinc/19/88/19/329198819.db2.gz BSYKLXYZKKAJJE-UHFFFAOYSA-N 1 1 364.402 2.074 20 5 FEBDMO CC1(C)C[N@@H+](CCNc2ccc([N+](=O)[O-])cc2N2CCOC2=O)CCO1 ZINC000266190646 329198821 /nfs/dbraw/zinc/19/88/21/329198821.db2.gz BSYKLXYZKKAJJE-UHFFFAOYSA-N 1 1 364.402 2.074 20 5 FEBDMO C[N@H+](Cc1cccc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266569069 329237180 /nfs/dbraw/zinc/23/71/80/329237180.db2.gz KXFBSFGBGOOQGH-AWEZNQCLSA-N 1 1 369.219 2.047 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000266614054 329241785 /nfs/dbraw/zinc/24/17/85/329241785.db2.gz IQBIEFPVKYCFFI-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000266614054 329241787 /nfs/dbraw/zinc/24/17/87/329241787.db2.gz IQBIEFPVKYCFFI-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000266966366 329277825 /nfs/dbraw/zinc/27/78/25/329277825.db2.gz ZSDLGIMENJKSMX-OCCSQVGLSA-N 1 1 353.423 2.026 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000267058229 329287439 /nfs/dbraw/zinc/28/74/39/329287439.db2.gz IARKLBTZOAFJCQ-UHFFFAOYSA-N 1 1 357.414 2.028 20 5 FEBDMO CN(C)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000267279459 329310086 /nfs/dbraw/zinc/31/00/86/329310086.db2.gz VAEKBCJVTGIPJF-UHFFFAOYSA-N 1 1 372.267 2.190 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000267492358 329333031 /nfs/dbraw/zinc/33/30/31/329333031.db2.gz WZSCSIOMAJOUCP-UHFFFAOYSA-N 1 1 374.260 2.136 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160130 329392037 /nfs/dbraw/zinc/39/20/37/329392037.db2.gz VKCRFPAIPCAGRV-DGCLKSJQSA-N 1 1 351.403 2.071 20 5 FEBDMO COc1cc(NC[C@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000268183654 329394357 /nfs/dbraw/zinc/39/43/57/329394357.db2.gz UGGMSNWLZLPACH-MRXNPFEDSA-N 1 1 354.426 2.426 20 5 FEBDMO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)nc2)C1 ZINC000272667180 329802981 /nfs/dbraw/zinc/80/29/81/329802981.db2.gz JFDLPZNXSJALSL-CQSZACIVSA-N 1 1 371.397 2.088 20 5 FEBDMO Cc1cc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nc(C2CC2)[nH+]1 ZINC000273360633 329858666 /nfs/dbraw/zinc/85/86/66/329858666.db2.gz WLFFSMLRKJHVEY-UHFFFAOYSA-N 1 1 362.411 2.456 20 5 FEBDMO Cc1ncc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000273465779 329867225 /nfs/dbraw/zinc/86/72/25/329867225.db2.gz RDXRATQSFJIGPN-NSHDSACASA-N 1 1 364.427 2.126 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000275449588 330050003 /nfs/dbraw/zinc/05/00/03/330050003.db2.gz NNVKFBRMXSTSMI-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000367206631 330230163 /nfs/dbraw/zinc/23/01/63/330230163.db2.gz RWGKKBAEFMYYRY-LJQANCHMSA-N 1 1 371.441 2.210 20 5 FEBDMO COc1ccc(OCC[N@@H+](CCO)[C@@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000433184864 330275421 /nfs/dbraw/zinc/27/54/21/330275421.db2.gz YFKIABNGFWQMGH-CYBMUJFWSA-N 1 1 356.444 2.172 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)OC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000804848859 674303485 /nfs/dbraw/zinc/30/34/85/674303485.db2.gz LAYZQJZYCNZIJJ-CQSZACIVSA-N 1 1 352.387 2.117 20 5 FEBDMO CN(C[C@H](O)C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000818165367 675200577 /nfs/dbraw/zinc/20/05/77/675200577.db2.gz GWWJLYTXDJDPPX-OAHLLOKOSA-N 1 1 353.419 2.254 20 5 FEBDMO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000805825426 674355669 /nfs/dbraw/zinc/35/56/69/674355669.db2.gz UWFGYDFOFVHCKU-CYBMUJFWSA-N 1 1 350.375 2.241 20 5 FEBDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000805825426 674355671 /nfs/dbraw/zinc/35/56/71/674355671.db2.gz UWFGYDFOFVHCKU-CYBMUJFWSA-N 1 1 350.375 2.241 20 5 FEBDMO Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000247559977 549357882 /nfs/dbraw/zinc/35/78/82/549357882.db2.gz ZNRFJFZCTLCFQF-GXTWGEPZSA-N 1 1 372.429 2.039 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155556789 545542412 /nfs/dbraw/zinc/54/24/12/545542412.db2.gz LKLMVPAPMNZIOG-CJNGLKHVSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000155580227 545545529 /nfs/dbraw/zinc/54/55/29/545545529.db2.gz BOHPKWISTYWBHB-DYVFJYSZSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000155907190 545582626 /nfs/dbraw/zinc/58/26/26/545582626.db2.gz KWVZYLRDPVEMHV-LBPRGKRZSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC1CCOCC1 ZINC000155973476 545588103 /nfs/dbraw/zinc/58/81/03/545588103.db2.gz VYXWXUMXIVQWKH-LBPRGKRZSA-N 1 1 351.403 2.289 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])ccc1Cl ZINC000156691172 545648051 /nfs/dbraw/zinc/64/80/51/545648051.db2.gz IEKWJDTZGMZXPL-CYBMUJFWSA-N 1 1 355.822 2.215 20 5 FEBDMO C[C@H](O)C[C@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156931196 545678710 /nfs/dbraw/zinc/67/87/10/545678710.db2.gz BQNJEFTWONICKD-BBRMVZONSA-N 1 1 361.398 2.264 20 5 FEBDMO C[C@H](O)C[C@H]1COCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156931196 545678716 /nfs/dbraw/zinc/67/87/16/545678716.db2.gz BQNJEFTWONICKD-BBRMVZONSA-N 1 1 361.398 2.264 20 5 FEBDMO Cc1ccc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000159311488 545942266 /nfs/dbraw/zinc/94/22/66/545942266.db2.gz BYIAWBCDLYPGJR-GOSISDBHSA-N 1 1 369.421 2.052 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000159892273 545989387 /nfs/dbraw/zinc/98/93/87/545989387.db2.gz PCPZFMHADZTLKK-UHFFFAOYSA-N 1 1 363.462 2.442 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000479932897 561199702 /nfs/dbraw/zinc/19/97/02/561199702.db2.gz ZXXHJQHUETXRNE-UHFFFAOYSA-N 1 1 367.402 2.274 20 5 FEBDMO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000176261892 546425388 /nfs/dbraw/zinc/42/53/88/546425388.db2.gz GYPPLYHJIBIIFK-UHFFFAOYSA-N 1 1 370.312 2.253 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000176261892 546425390 /nfs/dbraw/zinc/42/53/90/546425390.db2.gz GYPPLYHJIBIIFK-UHFFFAOYSA-N 1 1 370.312 2.253 20 5 FEBDMO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000480482311 561210129 /nfs/dbraw/zinc/21/01/29/561210129.db2.gz LDTZDKCZZSGRLR-UHFFFAOYSA-N 1 1 359.430 2.072 20 5 FEBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000177126307 546550280 /nfs/dbraw/zinc/55/02/80/546550280.db2.gz KBWYOHFZAPJVFN-HZPDHXFCSA-N 1 1 361.398 2.488 20 5 FEBDMO C[N@H+]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C2(CCCCC2)C1 ZINC000178724497 546839146 /nfs/dbraw/zinc/83/91/46/546839146.db2.gz SOOMQQIYBSIHGG-UHFFFAOYSA-N 1 1 372.469 2.434 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000481727492 561239879 /nfs/dbraw/zinc/23/98/79/561239879.db2.gz VLCKCDXLPTVAOF-KBPBESRZSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000481727492 561239880 /nfs/dbraw/zinc/23/98/80/561239880.db2.gz VLCKCDXLPTVAOF-KBPBESRZSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745294 561240728 /nfs/dbraw/zinc/24/07/28/561240728.db2.gz CHFYAHMSRNZIFD-GOEBONIOSA-N 1 1 352.387 2.016 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1Cc1ccccc1 ZINC000180582694 547135789 /nfs/dbraw/zinc/13/57/89/547135789.db2.gz SWMKGGBHGAPCJF-HIFRSBDPSA-N 1 1 369.425 2.355 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000181093164 547248761 /nfs/dbraw/zinc/24/87/61/547248761.db2.gz DXPYOIMAQNUIGH-BBRMVZONSA-N 1 1 369.425 2.212 20 5 FEBDMO CC(=O)N1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(C)(C)C1 ZINC000182184060 547449872 /nfs/dbraw/zinc/44/98/72/547449872.db2.gz NDJDZXUNULUDFD-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO CC(=O)N1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C1 ZINC000182213253 547454636 /nfs/dbraw/zinc/45/46/36/547454636.db2.gz OJCLXIKGHOUJMO-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000484294174 561295827 /nfs/dbraw/zinc/29/58/27/561295827.db2.gz ARUAELLWUDGQBO-LJQANCHMSA-N 1 1 372.425 2.432 20 5 FEBDMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000484294174 561295828 /nfs/dbraw/zinc/29/58/28/561295828.db2.gz ARUAELLWUDGQBO-LJQANCHMSA-N 1 1 372.425 2.432 20 5 FEBDMO C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1F ZINC000183341752 547641285 /nfs/dbraw/zinc/64/12/85/547641285.db2.gz IAKOCUKNMVNGLD-UKRRQHHQSA-N 1 1 367.421 2.191 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000183391895 547649839 /nfs/dbraw/zinc/64/98/39/547649839.db2.gz BPOYTPCMPDEINK-MRXNPFEDSA-N 1 1 373.384 2.231 20 5 FEBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000184221245 547789922 /nfs/dbraw/zinc/78/99/22/547789922.db2.gz DTSZWBVCLXNXJJ-IRXDYDNUSA-N 1 1 368.405 2.494 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184718138 547869119 /nfs/dbraw/zinc/86/91/19/547869119.db2.gz XVVXRFZTKQOGHM-OAHLLOKOSA-N 1 1 369.487 2.382 20 5 FEBDMO CN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000185169653 547945642 /nfs/dbraw/zinc/94/56/42/547945642.db2.gz XHWGAVXQDOXZJY-OAHLLOKOSA-N 1 1 369.425 2.309 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000185282244 547964744 /nfs/dbraw/zinc/96/47/44/547964744.db2.gz LCWXHGXICRXFQJ-WFASDCNBSA-N 1 1 371.434 2.147 20 5 FEBDMO CSc1cccc(C(=O)N2CCN(c3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000485498350 561320505 /nfs/dbraw/zinc/32/05/05/561320505.db2.gz CMUHFZVJRIIYFO-UHFFFAOYSA-N 1 1 361.427 2.013 20 5 FEBDMO C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCOCC1 ZINC000185820256 548039574 /nfs/dbraw/zinc/03/95/74/548039574.db2.gz GOVYYUDWWPFWNI-LBPRGKRZSA-N 1 1 370.837 2.016 20 5 FEBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000186820087 548200394 /nfs/dbraw/zinc/20/03/94/548200394.db2.gz COKHMEMISDHQHN-UHFFFAOYSA-N 1 1 374.372 2.183 20 5 FEBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000186820087 548200396 /nfs/dbraw/zinc/20/03/96/548200396.db2.gz COKHMEMISDHQHN-UHFFFAOYSA-N 1 1 374.372 2.183 20 5 FEBDMO CC[C@@H]1C[N@H+](CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000486017880 561335465 /nfs/dbraw/zinc/33/54/65/561335465.db2.gz QKACEAQQEABYDT-QGZVFWFLSA-N 1 1 371.441 2.305 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCNc2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CCO1 ZINC000486017880 561335466 /nfs/dbraw/zinc/33/54/66/561335466.db2.gz QKACEAQQEABYDT-QGZVFWFLSA-N 1 1 371.441 2.305 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000194961522 548556614 /nfs/dbraw/zinc/55/66/14/548556614.db2.gz LMUZBNSJNSZMCJ-DLBZAZTESA-N 1 1 369.421 2.268 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000245431636 548917072 /nfs/dbraw/zinc/91/70/72/548917072.db2.gz AVZWNCZAEPXFPX-KGLIPLIRSA-N 1 1 364.446 2.204 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000245853248 549004121 /nfs/dbraw/zinc/00/41/21/549004121.db2.gz JPQLPQDVVZFYBX-LSDHHAIUSA-N 1 1 365.455 2.180 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000246102686 549052250 /nfs/dbraw/zinc/05/22/50/549052250.db2.gz LSSXDMDXXVFDCZ-GXTWGEPZSA-N 1 1 371.434 2.147 20 5 FEBDMO O=C(CN1CC[N@H+]2CCCC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246157318 549065725 /nfs/dbraw/zinc/06/57/25/549065725.db2.gz HEVXMBLCCNGYQY-ZDUSSCGKSA-N 1 1 352.822 2.357 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000246219947 549081690 /nfs/dbraw/zinc/08/16/90/549081690.db2.gz PUSHEBDUYNYXON-JSGCOSHPSA-N 1 1 355.460 2.315 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000246230310 549084488 /nfs/dbraw/zinc/08/44/88/549084488.db2.gz SCNIHANQMYYBAO-ZFWWWQNUSA-N 1 1 362.430 2.101 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCSC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000488413262 561389498 /nfs/dbraw/zinc/38/94/98/561389498.db2.gz YVECJWCTVUKRLO-GFCCVEGCSA-N 1 1 354.428 2.332 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000246250543 549089030 /nfs/dbraw/zinc/08/90/30/549089030.db2.gz JFTYSUBUCHXPEC-VVWQDTPRSA-N 1 1 363.458 2.202 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000246250543 549089032 /nfs/dbraw/zinc/08/90/32/549089032.db2.gz JFTYSUBUCHXPEC-VVWQDTPRSA-N 1 1 363.458 2.202 20 5 FEBDMO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000246291391 549099139 /nfs/dbraw/zinc/09/91/39/549099139.db2.gz OVSSXBLCFOSDPE-ZWKOTPCHSA-N 1 1 355.394 2.366 20 5 FEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000246291391 549099144 /nfs/dbraw/zinc/09/91/44/549099144.db2.gz OVSSXBLCFOSDPE-ZWKOTPCHSA-N 1 1 355.394 2.366 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000246319692 549105038 /nfs/dbraw/zinc/10/50/38/549105038.db2.gz DCCYEMWOPQTDII-TUAOUCFPSA-N 1 1 361.489 2.301 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1F ZINC000246322618 549106650 /nfs/dbraw/zinc/10/66/50/549106650.db2.gz RUSJSGHWRONSGN-JSGCOSHPSA-N 1 1 371.434 2.147 20 5 FEBDMO C[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000246628837 549177539 /nfs/dbraw/zinc/17/75/39/549177539.db2.gz IVRPVKYPVYBFHN-ZIAGYGMSSA-N 1 1 355.460 2.135 20 5 FEBDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000488805530 561397418 /nfs/dbraw/zinc/39/74/18/561397418.db2.gz XTPLLVJRHHCTFG-QAPCUYQASA-N 1 1 360.414 2.170 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C)C1 ZINC000246810105 549218118 /nfs/dbraw/zinc/21/81/18/549218118.db2.gz NXIHSRXALKAVCD-SUMWQHHRSA-N 1 1 364.446 2.165 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246865542 549230997 /nfs/dbraw/zinc/23/09/97/549230997.db2.gz WEDGPBWCULNXSF-BBRMVZONSA-N 1 1 355.460 2.087 20 5 FEBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000261893679 549767016 /nfs/dbraw/zinc/76/70/16/549767016.db2.gz FWIGDLLAHVSQMP-KRWDZBQOSA-N 1 1 355.394 2.319 20 5 FEBDMO CCOCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000491137045 561443323 /nfs/dbraw/zinc/44/33/23/561443323.db2.gz PMBUSXLHYQJKLA-UHFFFAOYSA-N 1 1 367.421 2.489 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@H](c3nnc(C)[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427773 550064090 /nfs/dbraw/zinc/06/40/90/550064090.db2.gz DZRPULGUKNIJEQ-ZDUSSCGKSA-N 1 1 361.402 2.288 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427773 550064093 /nfs/dbraw/zinc/06/40/93/550064093.db2.gz DZRPULGUKNIJEQ-ZDUSSCGKSA-N 1 1 361.402 2.288 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268427773 550064095 /nfs/dbraw/zinc/06/40/95/550064095.db2.gz DZRPULGUKNIJEQ-ZDUSSCGKSA-N 1 1 361.402 2.288 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870970 550315914 /nfs/dbraw/zinc/31/59/14/550315914.db2.gz OCJPTJYNRXBODF-PKOBYXMFSA-N 1 1 369.421 2.208 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000271344938 550367205 /nfs/dbraw/zinc/36/72/05/550367205.db2.gz DAEGLHXMTZMOKT-UHFFFAOYSA-N 1 1 371.441 2.313 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000272311901 550436726 /nfs/dbraw/zinc/43/67/26/550436726.db2.gz IJFFGKOLARZCCV-GWCFXTLKSA-N 1 1 363.443 2.402 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCOCC3(CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000273087590 550484423 /nfs/dbraw/zinc/48/44/23/550484423.db2.gz SAAAOIFHWIKOJI-UHFFFAOYSA-N 1 1 366.414 2.111 20 5 FEBDMO CC1([C@@H]2CCC[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)OCCO1 ZINC000273130658 550486485 /nfs/dbraw/zinc/48/64/85/550486485.db2.gz SWLFLQRPMSTXCS-OAHLLOKOSA-N 1 1 364.398 2.436 20 5 FEBDMO CCc1ccc([C@H](COC)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000273215974 550489828 /nfs/dbraw/zinc/48/98/28/550489828.db2.gz CIAOUECAHLEMNZ-HIFRSBDPSA-N 1 1 364.398 2.467 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000273339374 550494906 /nfs/dbraw/zinc/49/49/06/550494906.db2.gz NLWZWPDTPMKBKC-HNNXBMFYSA-N 1 1 350.415 2.227 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)NCC2=CC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000273722364 550509124 /nfs/dbraw/zinc/50/91/24/550509124.db2.gz GWODBGGUADOHSU-UHFFFAOYSA-N 1 1 359.835 2.097 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278044306 550742415 /nfs/dbraw/zinc/74/24/15/550742415.db2.gz CHGFCDDBBXSDGU-XJKSGUPXSA-N 1 1 370.409 2.336 20 5 FEBDMO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000278343147 550775304 /nfs/dbraw/zinc/77/53/04/550775304.db2.gz JFEWKWGTALZUQZ-NSHDSACASA-N 1 1 360.336 2.167 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278390495 550780273 /nfs/dbraw/zinc/78/02/73/550780273.db2.gz ZUWOLLCQEPHOFS-LBPRGKRZSA-N 1 1 360.418 2.145 20 5 FEBDMO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000278417995 550783480 /nfs/dbraw/zinc/78/34/80/550783480.db2.gz YVQKIEMYBMQYLQ-WFASDCNBSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000278417995 550783481 /nfs/dbraw/zinc/78/34/81/550783481.db2.gz YVQKIEMYBMQYLQ-WFASDCNBSA-N 1 1 358.822 2.094 20 5 FEBDMO Cc1c(CC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000278534327 550796219 /nfs/dbraw/zinc/79/62/19/550796219.db2.gz SELKVASBUNLEIS-CQSZACIVSA-N 1 1 361.442 2.157 20 5 FEBDMO CCC(=O)c1ccc(N2CCN(c3ccc(N)[nH+]c3)CC2)c([N+](=O)[O-])c1 ZINC000280741679 551027191 /nfs/dbraw/zinc/02/71/91/551027191.db2.gz OLTBZIMTSFRTFF-UHFFFAOYSA-N 1 1 355.398 2.491 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000280791213 551032774 /nfs/dbraw/zinc/03/27/74/551032774.db2.gz UOZRFKZSRRVBOJ-UHFFFAOYSA-N 1 1 373.461 2.139 20 5 FEBDMO NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282053517 551174694 /nfs/dbraw/zinc/17/46/94/551174694.db2.gz YAAYSKFRMMKGEL-LBPRGKRZSA-N 1 1 370.413 2.006 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497649092 561505478 /nfs/dbraw/zinc/50/54/78/561505478.db2.gz JECBAAFCVNCNOU-HUUCEWRRSA-N 1 1 365.455 2.036 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000283711891 551414322 /nfs/dbraw/zinc/41/43/22/551414322.db2.gz DZTWRMHOQRUFCM-CYBMUJFWSA-N 1 1 350.419 2.253 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000284450327 551551742 /nfs/dbraw/zinc/55/17/42/551551742.db2.gz QWIOKKGEQWURDR-GFCCVEGCSA-N 1 1 352.410 2.414 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@@H]1C ZINC000498555135 561528147 /nfs/dbraw/zinc/52/81/47/561528147.db2.gz OSKFNUBORPVNSX-UONOGXRCSA-N 1 1 357.414 2.335 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000285529760 551770330 /nfs/dbraw/zinc/77/03/30/551770330.db2.gz HGRXHRDGKQQZNY-ZIAGYGMSSA-N 1 1 355.460 2.259 20 5 FEBDMO CCOc1ccc(NC(=O)CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000498928054 561538355 /nfs/dbraw/zinc/53/83/55/561538355.db2.gz HUKGHZMKDQKOHO-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285714587 551799886 /nfs/dbraw/zinc/79/98/86/551799886.db2.gz UCMOAUGJPZQIJM-CVEARBPZSA-N 1 1 351.403 2.229 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](C)[S@@]1=O ZINC000285827802 551816189 /nfs/dbraw/zinc/81/61/89/551816189.db2.gz HCXHSKQHILWAAA-YSDYUQAISA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H](C)[S@@]1=O ZINC000285827802 551816190 /nfs/dbraw/zinc/81/61/90/551816190.db2.gz HCXHSKQHILWAAA-YSDYUQAISA-N 1 1 367.471 2.463 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289590106 552345620 /nfs/dbraw/zinc/34/56/20/552345620.db2.gz PPMWYDWUPSZWRW-ZTFGCOKTSA-N 1 1 362.426 2.368 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000289771073 552375968 /nfs/dbraw/zinc/37/59/68/552375968.db2.gz GLBLNMGPVFLCPY-HUUCEWRRSA-N 1 1 366.805 2.131 20 5 FEBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1n[nH]c(-c3cccc([N+](=O)[O-])c3)n1)C2 ZINC000290372881 552469003 /nfs/dbraw/zinc/46/90/03/552469003.db2.gz FFUUCNFWHMVCAQ-LBPRGKRZSA-N 1 1 367.369 2.086 20 5 FEBDMO C[C@H]1C[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000290539487 552495317 /nfs/dbraw/zinc/49/53/17/552495317.db2.gz DYRYQYCZHSHPBG-GXTWGEPZSA-N 1 1 355.398 2.164 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000290823817 552544211 /nfs/dbraw/zinc/54/42/11/552544211.db2.gz OYVOPIVAAWLSBN-RHSMWYFYSA-N 1 1 374.441 2.038 20 5 FEBDMO C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000501125999 561590852 /nfs/dbraw/zinc/59/08/52/561590852.db2.gz BOXGGHKXLGRLAC-CYBMUJFWSA-N 1 1 364.446 2.423 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C2)C1 ZINC000292153323 552698881 /nfs/dbraw/zinc/69/88/81/552698881.db2.gz ISINMOAQTUNOGI-IBGZPJMESA-N 1 1 358.442 2.363 20 5 FEBDMO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000501503907 561599131 /nfs/dbraw/zinc/59/91/31/561599131.db2.gz PNIVWPGEZWNRKA-LSDHHAIUSA-N 1 1 363.462 2.426 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000292725248 552752948 /nfs/dbraw/zinc/75/29/48/552752948.db2.gz GCUFLQFCLKGOTG-MRXNPFEDSA-N 1 1 353.444 2.010 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292882640 552768183 /nfs/dbraw/zinc/76/81/83/552768183.db2.gz UITVMIRXRMJUQN-OAHLLOKOSA-N 1 1 373.862 2.355 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292888677 552768729 /nfs/dbraw/zinc/76/87/29/552768729.db2.gz UUUGHDBVVIGWAV-INIZCTEOSA-N 1 1 353.444 2.010 20 5 FEBDMO CC(C)[C@]1(CO)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000293221686 552800514 /nfs/dbraw/zinc/80/05/14/552800514.db2.gz XZBADBIAIFFJMT-LJQANCHMSA-N 1 1 361.442 2.214 20 5 FEBDMO CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000293221686 552800515 /nfs/dbraw/zinc/80/05/15/552800515.db2.gz XZBADBIAIFFJMT-LJQANCHMSA-N 1 1 361.442 2.214 20 5 FEBDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)nc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293899040 552866377 /nfs/dbraw/zinc/86/63/77/552866377.db2.gz WIZOBMHJBMNPGT-CQSZACIVSA-N 1 1 370.457 2.175 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc([N+](=O)[O-])c1OC ZINC000294329833 552897409 /nfs/dbraw/zinc/89/74/09/552897409.db2.gz XKUJKNKLJBBYJZ-SFHVURJKSA-N 1 1 363.414 2.170 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295111431 552960164 /nfs/dbraw/zinc/96/01/64/552960164.db2.gz LSTVULYOVQJNCP-OAHLLOKOSA-N 1 1 353.419 2.221 20 5 FEBDMO CN(C)C(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCCC1 ZINC000295220534 552970981 /nfs/dbraw/zinc/97/09/81/552970981.db2.gz XRFNRENTXOFWOF-UHFFFAOYSA-N 1 1 350.375 2.384 20 5 FEBDMO CN(C)C(=O)O[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295743818 553053070 /nfs/dbraw/zinc/05/30/70/553053070.db2.gz WSRUZQRLOUPRHP-CYBMUJFWSA-N 1 1 364.402 2.086 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)[C@@H](C)C1 ZINC000296966531 553236271 /nfs/dbraw/zinc/23/62/71/553236271.db2.gz CXHDBRYBAIPJQA-JSGCOSHPSA-N 1 1 355.460 2.165 20 5 FEBDMO O=C(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)N1CCOc2ccccc21 ZINC000503211286 561636748 /nfs/dbraw/zinc/63/67/48/561636748.db2.gz HRAYWQUMGFCLAF-UHFFFAOYSA-N 1 1 368.393 2.164 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000503452813 561641790 /nfs/dbraw/zinc/64/17/90/561641790.db2.gz IDUGWWWTAFKXAM-WMLDXEAASA-N 1 1 369.487 2.272 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000299255051 553537281 /nfs/dbraw/zinc/53/72/81/553537281.db2.gz JXGNTAAUKYMKQG-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000299369159 553554281 /nfs/dbraw/zinc/55/42/81/553554281.db2.gz RWKNZQZNHQVJGI-DOTOQJQBSA-N 1 1 369.425 2.243 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1CO ZINC000299729710 553608888 /nfs/dbraw/zinc/60/88/88/553608888.db2.gz WLSUFUIENZJADC-TZMCWYRMSA-N 1 1 351.403 2.167 20 5 FEBDMO CC(C)C[NH+]1CCN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC1 ZINC000301225408 553632916 /nfs/dbraw/zinc/63/29/16/553632916.db2.gz BKDKSXWZSPXWFU-UHFFFAOYSA-N 1 1 371.441 2.337 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000301730909 553675259 /nfs/dbraw/zinc/67/52/59/553675259.db2.gz XLSBJZFHYNUYKJ-GXTWGEPZSA-N 1 1 364.402 2.224 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)nn21 ZINC000301857706 553686115 /nfs/dbraw/zinc/68/61/15/553686115.db2.gz ZVEBGVUCCMKZNZ-UHFFFAOYSA-N 1 1 370.388 2.489 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302009818 553697602 /nfs/dbraw/zinc/69/76/02/553697602.db2.gz VVGPJABDWCNNHL-UKRRQHHQSA-N 1 1 367.413 2.355 20 5 FEBDMO COc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330600852 554143964 /nfs/dbraw/zinc/14/39/64/554143964.db2.gz GAWUBKJXZYHCQV-VHSXEESVSA-N 1 1 373.356 2.369 20 5 FEBDMO COc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330600852 554143965 /nfs/dbraw/zinc/14/39/65/554143965.db2.gz GAWUBKJXZYHCQV-VHSXEESVSA-N 1 1 373.356 2.369 20 5 FEBDMO C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCO1 ZINC000330714814 554162070 /nfs/dbraw/zinc/16/20/70/554162070.db2.gz SGMAIPHACJXZMO-STQMWFEESA-N 1 1 353.444 2.229 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331449499 554266271 /nfs/dbraw/zinc/26/62/71/554266271.db2.gz YVKVECFVVWRHLK-LLVKDONJSA-N 1 1 368.231 2.253 20 5 FEBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[NH+](Cc4cccnc4)CC3)c21 ZINC000509055524 561783118 /nfs/dbraw/zinc/78/31/18/561783118.db2.gz GYFPHWWZNPSMQY-UHFFFAOYSA-N 1 1 350.382 2.255 20 5 FEBDMO COc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1[N+](=O)[O-] ZINC000331906520 554344070 /nfs/dbraw/zinc/34/40/70/554344070.db2.gz KFBGKXSFOLFAFK-DAYGRLMNSA-N 1 1 350.415 2.355 20 5 FEBDMO CC(C)(C)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000332314160 554423260 /nfs/dbraw/zinc/42/32/60/554423260.db2.gz NGTNATIKFBTONF-DOTOQJQBSA-N 1 1 361.442 2.213 20 5 FEBDMO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1O ZINC000332314160 554423263 /nfs/dbraw/zinc/42/32/63/554423263.db2.gz NGTNATIKFBTONF-DOTOQJQBSA-N 1 1 361.442 2.213 20 5 FEBDMO C[C@H]1C[C@H](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000510190119 561827803 /nfs/dbraw/zinc/82/78/03/561827803.db2.gz DFHDGFDUGYSFLS-RDJZCZTQSA-N 1 1 371.441 2.208 20 5 FEBDMO CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)ccc1[N+](=O)[O-] ZINC000332619602 554484838 /nfs/dbraw/zinc/48/48/38/554484838.db2.gz WNRJKUDGZXQOBR-CABCVRRESA-N 1 1 362.430 2.370 20 5 FEBDMO CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)ccc1[N+](=O)[O-] ZINC000332619602 554484840 /nfs/dbraw/zinc/48/48/40/554484840.db2.gz WNRJKUDGZXQOBR-CABCVRRESA-N 1 1 362.430 2.370 20 5 FEBDMO Cc1sc(S(=O)(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000510533483 561838066 /nfs/dbraw/zinc/83/80/66/561838066.db2.gz KTVHURLNNRARRU-PWSUYJOCSA-N 1 1 359.473 2.212 20 5 FEBDMO CC(C)C[N@H+]1CCCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC1 ZINC000360734713 554887366 /nfs/dbraw/zinc/88/73/66/554887366.db2.gz AZTFIVQEEUSLAJ-UHFFFAOYSA-N 1 1 363.443 2.403 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000362863658 554994176 /nfs/dbraw/zinc/99/41/76/554994176.db2.gz VXAACCWDEPNJBP-CWRNSKLLSA-N 1 1 362.430 2.127 20 5 FEBDMO Cn1cc(C[C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000363134192 555037693 /nfs/dbraw/zinc/03/76/93/555037693.db2.gz DDFOGBAGQPQCFW-AWEZNQCLSA-N 1 1 357.414 2.222 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000363232786 555060133 /nfs/dbraw/zinc/06/01/33/555060133.db2.gz XNEZQSHDDFBOAG-OAHLLOKOSA-N 1 1 372.429 2.296 20 5 FEBDMO Cc1cc(S(=O)(=O)N2C[C@H]3[C@H](C2)C[N@H+]2CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000363257806 555065892 /nfs/dbraw/zinc/06/58/92/555065892.db2.gz BAFDXXXRLWUIHS-QRTARXTBSA-N 1 1 365.455 2.008 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424295 555102322 /nfs/dbraw/zinc/10/23/22/555102322.db2.gz QIXYMACANZTIAS-ZTFGCOKTSA-N 1 1 361.442 2.143 20 5 FEBDMO Cc1ccnc(C2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000363795550 555187725 /nfs/dbraw/zinc/18/77/25/555187725.db2.gz OMQCEGDFDAPAQU-UHFFFAOYSA-N 1 1 355.398 2.172 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc2c1OCCO2 ZINC000364335423 555293333 /nfs/dbraw/zinc/29/33/33/555293333.db2.gz IUPHSWODFRVAPZ-CQSZACIVSA-N 1 1 374.397 2.408 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc2c1OCCO2 ZINC000364335423 555293335 /nfs/dbraw/zinc/29/33/35/555293335.db2.gz IUPHSWODFRVAPZ-CQSZACIVSA-N 1 1 374.397 2.408 20 5 FEBDMO Cc1nn(CCC(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c(C)c1[N+](=O)[O-] ZINC000364487964 555322824 /nfs/dbraw/zinc/32/28/24/555322824.db2.gz DASPGLUGSDLHQG-UHFFFAOYSA-N 1 1 369.385 2.326 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000364962189 555451244 /nfs/dbraw/zinc/45/12/44/555451244.db2.gz UKWYGHYVAJZMHR-AWEZNQCLSA-N 1 1 354.838 2.067 20 5 FEBDMO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273157 555528707 /nfs/dbraw/zinc/52/87/07/555528707.db2.gz ZEYPWGZNYBKGBZ-RHSMWYFYSA-N 1 1 355.398 2.382 20 5 FEBDMO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273157 555528711 /nfs/dbraw/zinc/52/87/11/555528711.db2.gz ZEYPWGZNYBKGBZ-RHSMWYFYSA-N 1 1 355.398 2.382 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nnc[nH]4)C3)o2)cc1 ZINC000365903786 555697438 /nfs/dbraw/zinc/69/74/38/555697438.db2.gz QNQKFDPEWOXDSC-LBPRGKRZSA-N 1 1 355.358 2.143 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nnc[nH]4)C3)o2)cc1 ZINC000365903786 555697441 /nfs/dbraw/zinc/69/74/41/555697441.db2.gz QNQKFDPEWOXDSC-LBPRGKRZSA-N 1 1 355.358 2.143 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000366117957 555757266 /nfs/dbraw/zinc/75/72/66/555757266.db2.gz GONYPCIZANEKEC-CJNGLKHVSA-N 1 1 355.398 2.025 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000513678735 561946664 /nfs/dbraw/zinc/94/66/64/561946664.db2.gz RPHXZTLOATWTNR-FSPWUOQZSA-N 1 1 355.442 2.490 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000366565355 555877348 /nfs/dbraw/zinc/87/73/48/555877348.db2.gz UQEFCFNDZHIOTA-UKRRQHHQSA-N 1 1 365.434 2.123 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CCN3CCOCC3)CC2)c1 ZINC000366650228 555899057 /nfs/dbraw/zinc/89/90/57/555899057.db2.gz FBDBZEGIUPDYHB-IBGZPJMESA-N 1 1 363.458 2.063 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1CCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000514172225 561962254 /nfs/dbraw/zinc/96/22/54/561962254.db2.gz MXPNCCYGGYAKDP-GFCCVEGCSA-N 1 1 360.336 2.365 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c([N+](=O)[O-])c1 ZINC000366777987 555931350 /nfs/dbraw/zinc/93/13/50/555931350.db2.gz BFYTXDNLJGZCLK-FRFSOERESA-N 1 1 366.414 2.251 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)c([N+](=O)[O-])c1 ZINC000366777987 555931351 /nfs/dbraw/zinc/93/13/51/555931351.db2.gz BFYTXDNLJGZCLK-FRFSOERESA-N 1 1 366.414 2.251 20 5 FEBDMO Cc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000366849287 555950369 /nfs/dbraw/zinc/95/03/69/555950369.db2.gz JKWNRJUTXPVOQT-QGZVFWFLSA-N 1 1 369.425 2.271 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000366948087 555979290 /nfs/dbraw/zinc/97/92/90/555979290.db2.gz VKTFEWMWHLWCNH-FZKQIMNGSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000366948087 555979292 /nfs/dbraw/zinc/97/92/92/555979292.db2.gz VKTFEWMWHLWCNH-FZKQIMNGSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1c([C@@H]2CCC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)cnn1C ZINC000367332859 556020567 /nfs/dbraw/zinc/02/05/67/556020567.db2.gz JUVSWTURYIUUMT-YJBOKZPZSA-N 1 1 360.414 2.214 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cc(-c4cccnc4)n[nH]3)C2)nc1 ZINC000367423680 556044882 /nfs/dbraw/zinc/04/48/82/556044882.db2.gz WFKNECGHBODCCZ-CQSZACIVSA-N 1 1 365.397 2.461 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cc(-c4cccnc4)n[nH]3)C2)nc1 ZINC000367423680 556044886 /nfs/dbraw/zinc/04/48/86/556044886.db2.gz WFKNECGHBODCCZ-CQSZACIVSA-N 1 1 365.397 2.461 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000367567776 556084807 /nfs/dbraw/zinc/08/48/07/556084807.db2.gz ZGQYUVXKHGJOJS-MRXNPFEDSA-N 1 1 371.441 2.455 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000367586678 556090642 /nfs/dbraw/zinc/09/06/42/556090642.db2.gz PMSIBNGCCKOAIL-LJQANCHMSA-N 1 1 355.442 2.426 20 5 FEBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC000514948251 561988368 /nfs/dbraw/zinc/98/83/68/561988368.db2.gz YJOQEBGXTHGXIO-UHFFFAOYSA-N 1 1 357.414 2.342 20 5 FEBDMO O=C(NCc1c[nH+]c2n1CCCC2)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000367918323 556172433 /nfs/dbraw/zinc/17/24/33/556172433.db2.gz XFQDSCOWXQRGPP-UHFFFAOYSA-N 1 1 369.385 2.003 20 5 FEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cnc(C4OCCO4)s3)CC2)n1 ZINC000368040742 556201972 /nfs/dbraw/zinc/20/19/72/556201972.db2.gz STTLAZWIAOICIK-UHFFFAOYSA-N 1 1 365.415 2.130 20 5 FEBDMO C[N@H+]1CCCC12CCN(C(=O)c1ccn(-c3ccc([N+](=O)[O-])cc3)n1)CC2 ZINC000368189785 556243391 /nfs/dbraw/zinc/24/33/91/556243391.db2.gz ROYCDGHQHKUQPT-UHFFFAOYSA-N 1 1 369.425 2.481 20 5 FEBDMO C[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CC2)C1 ZINC000515134431 561997602 /nfs/dbraw/zinc/99/76/02/561997602.db2.gz QJSUKLQHLYEPKJ-CQSZACIVSA-N 1 1 362.430 2.099 20 5 FEBDMO C[C@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C ZINC000515216823 562001319 /nfs/dbraw/zinc/00/13/19/562001319.db2.gz PMPBCRTVMBUXRQ-ZIAGYGMSSA-N 1 1 355.460 2.277 20 5 FEBDMO CC(C)(O)C[N@@H+]1CCCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000368713299 556394579 /nfs/dbraw/zinc/39/45/79/556394579.db2.gz UTXQISQIDNABPZ-UHFFFAOYSA-N 1 1 373.251 2.035 20 5 FEBDMO CC(C)(O)C[N@H+]1CCCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000368713299 556394580 /nfs/dbraw/zinc/39/45/80/556394580.db2.gz UTXQISQIDNABPZ-UHFFFAOYSA-N 1 1 373.251 2.035 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000369082007 556499957 /nfs/dbraw/zinc/49/99/57/556499957.db2.gz VERSFPKHWBTZSB-CQSZACIVSA-N 1 1 362.430 2.420 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000369374244 556583848 /nfs/dbraw/zinc/58/38/48/556583848.db2.gz IIBCEHMCFMIEHX-KSSFIOAISA-N 1 1 363.414 2.112 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000369384230 556586207 /nfs/dbraw/zinc/58/62/07/556586207.db2.gz BJMPIEOBNUXTKY-OAHLLOKOSA-N 1 1 374.441 2.258 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000369384230 556586209 /nfs/dbraw/zinc/58/62/09/556586209.db2.gz BJMPIEOBNUXTKY-OAHLLOKOSA-N 1 1 374.441 2.258 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000369591364 556641106 /nfs/dbraw/zinc/64/11/06/556641106.db2.gz LGYHHCTVWAPPSO-JCURWCKSSA-N 1 1 363.414 2.287 20 5 FEBDMO O=C(NCc1ccccc1[N+](=O)[O-])N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000370554610 556907780 /nfs/dbraw/zinc/90/77/80/556907780.db2.gz CYXPDMJSQRQWBU-NVXWUHKLSA-N 1 1 362.430 2.037 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370750362 556957117 /nfs/dbraw/zinc/95/71/17/556957117.db2.gz PXYGWCOJCYNOIX-CZUORRHYSA-N 1 1 373.413 2.112 20 5 FEBDMO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370830449 556982530 /nfs/dbraw/zinc/98/25/30/556982530.db2.gz NHJDQUVLAPJWQJ-MEQKGCOVSA-N 1 1 372.469 2.235 20 5 FEBDMO CN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370830449 556982531 /nfs/dbraw/zinc/98/25/31/556982531.db2.gz NHJDQUVLAPJWQJ-MEQKGCOVSA-N 1 1 372.469 2.235 20 5 FEBDMO Cn1cc([C@@H]2[C@H](CNC(=O)c3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000370924323 557018005 /nfs/dbraw/zinc/01/80/05/557018005.db2.gz RMOQEVBCKPICLQ-YOEHRIQHSA-N 1 1 357.414 2.141 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000371339804 557152780 /nfs/dbraw/zinc/15/27/80/557152780.db2.gz XEZMRHPXMICUFG-UHFFFAOYSA-N 1 1 372.429 2.264 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000517484732 562091152 /nfs/dbraw/zinc/09/11/52/562091152.db2.gz GYTUZFKOMHYOGV-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000517484732 562091153 /nfs/dbraw/zinc/09/11/53/562091153.db2.gz GYTUZFKOMHYOGV-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4ncccc4O)CC3)nc2c1 ZINC000517582482 562093025 /nfs/dbraw/zinc/09/30/25/562093025.db2.gz FUSAASYDFLKOLJ-UHFFFAOYSA-N 1 1 368.397 2.284 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000371531158 557211827 /nfs/dbraw/zinc/21/18/27/557211827.db2.gz UVCXNBAAIBCHBZ-ZWKOTPCHSA-N 1 1 363.458 2.285 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000371531158 557211831 /nfs/dbraw/zinc/21/18/31/557211831.db2.gz UVCXNBAAIBCHBZ-ZWKOTPCHSA-N 1 1 363.458 2.285 20 5 FEBDMO O=c1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c2ccc(O)cc2o1 ZINC000372275536 557427995 /nfs/dbraw/zinc/42/79/95/557427995.db2.gz WYGWTTOBYSLKHC-ZDUSSCGKSA-N 1 1 370.365 2.440 20 5 FEBDMO O=c1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c2ccc(O)cc2o1 ZINC000372275536 557428000 /nfs/dbraw/zinc/42/80/00/557428000.db2.gz WYGWTTOBYSLKHC-ZDUSSCGKSA-N 1 1 370.365 2.440 20 5 FEBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372349091 557447500 /nfs/dbraw/zinc/44/75/00/557447500.db2.gz ZHIHXKMWPSYHIY-QGZVFWFLSA-N 1 1 370.453 2.353 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372408069 557463600 /nfs/dbraw/zinc/46/36/00/557463600.db2.gz FRSVXHKCMZBQGW-KSSFIOAISA-N 1 1 370.409 2.421 20 5 FEBDMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722786 557547374 /nfs/dbraw/zinc/54/73/74/557547374.db2.gz BQLKSQDQTHJLMA-WBVHZDCISA-N 1 1 370.409 2.374 20 5 FEBDMO O=C(c1ccoc1)N1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000372722835 557547660 /nfs/dbraw/zinc/54/76/60/557547660.db2.gz BCIKYPABPDBOAH-KRWDZBQOSA-N 1 1 359.382 2.069 20 5 FEBDMO O=C(c1ccoc1)N1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000372722835 557547663 /nfs/dbraw/zinc/54/76/63/557547663.db2.gz BCIKYPABPDBOAH-KRWDZBQOSA-N 1 1 359.382 2.069 20 5 FEBDMO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[NH+]2CCC1CC2 ZINC000373167111 557642769 /nfs/dbraw/zinc/64/27/69/557642769.db2.gz XIQRETUTEHUPJA-UHFFFAOYSA-N 1 1 360.233 2.339 20 5 FEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCCN1c1cccnn1 ZINC000373201784 557649048 /nfs/dbraw/zinc/64/90/48/557649048.db2.gz FVEJLIFVXZVCMX-HNNXBMFYSA-N 1 1 372.385 2.394 20 5 FEBDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[C@@H]1CCCN1c1cccnn1 ZINC000373201784 557649050 /nfs/dbraw/zinc/64/90/50/557649050.db2.gz FVEJLIFVXZVCMX-HNNXBMFYSA-N 1 1 372.385 2.394 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373471132 557699838 /nfs/dbraw/zinc/69/98/38/557699838.db2.gz KJVICLYMSZBBDF-GJZGRUSLSA-N 1 1 364.450 2.012 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000373593785 557725111 /nfs/dbraw/zinc/72/51/11/557725111.db2.gz NXRNDVTVYMFDSD-UHFFFAOYSA-N 1 1 363.805 2.381 20 5 FEBDMO C[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1ccc(F)cc1 ZINC000373725210 557745837 /nfs/dbraw/zinc/74/58/37/557745837.db2.gz FRBOCROKXWNUAG-IAGOWNOFSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1ccc(F)cc1 ZINC000373725210 557745838 /nfs/dbraw/zinc/74/58/38/557745838.db2.gz FRBOCROKXWNUAG-IAGOWNOFSA-N 1 1 358.373 2.491 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000373762472 557753554 /nfs/dbraw/zinc/75/35/54/557753554.db2.gz XAYHHVBONZEGDH-NVXWUHKLSA-N 1 1 360.414 2.425 20 5 FEBDMO CC[N@@H+]1CCO[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000373765817 557754617 /nfs/dbraw/zinc/75/46/17/557754617.db2.gz KJMVTWBSWLJJCN-CYBMUJFWSA-N 1 1 372.219 2.325 20 5 FEBDMO CC[N@H+]1CCO[C@@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000373765817 557754618 /nfs/dbraw/zinc/75/46/18/557754618.db2.gz KJMVTWBSWLJJCN-CYBMUJFWSA-N 1 1 372.219 2.325 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000373804151 557762687 /nfs/dbraw/zinc/76/26/87/557762687.db2.gz GQXCWSOMYCJFES-FUHWJXTLSA-N 1 1 363.414 2.193 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000373939094 557791851 /nfs/dbraw/zinc/79/18/51/557791851.db2.gz QMZUDMDEIVYUPL-CHWSQXEVSA-N 1 1 363.414 2.359 20 5 FEBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598582 557904731 /nfs/dbraw/zinc/90/47/31/557904731.db2.gz XUAAWFFYIUYUDQ-OWQGQXMQSA-N 1 1 360.414 2.244 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000374717353 557920822 /nfs/dbraw/zinc/92/08/22/557920822.db2.gz MOBGDQZJPCKXPL-PBHICJAKSA-N 1 1 352.398 2.288 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)cn1 ZINC000374826710 557937323 /nfs/dbraw/zinc/93/73/23/557937323.db2.gz GEEANQOMDBULOY-UHFFFAOYSA-N 1 1 356.317 2.458 20 5 FEBDMO O=C(N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1[nH]ncc1[N+](=O)[O-] ZINC000374967335 557957380 /nfs/dbraw/zinc/95/73/80/557957380.db2.gz AXXRAPNIRRJKJQ-ARFHVFGLSA-N 1 1 369.425 2.348 20 5 FEBDMO O=C(N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1n[nH]cc1[N+](=O)[O-] ZINC000374967335 557957381 /nfs/dbraw/zinc/95/73/81/557957381.db2.gz AXXRAPNIRRJKJQ-ARFHVFGLSA-N 1 1 369.425 2.348 20 5 FEBDMO Cc1cccc(NC[C@@H]2CCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[nH+]1 ZINC000375735157 558074414 /nfs/dbraw/zinc/07/44/14/558074414.db2.gz ZAJKDDZZSWFNAG-ZDUSSCGKSA-N 1 1 357.370 2.116 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000521717124 562182705 /nfs/dbraw/zinc/18/27/05/562182705.db2.gz OYXMNULIYYQLGP-VXGBXAGGSA-N 1 1 355.822 2.474 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000376983043 558247906 /nfs/dbraw/zinc/24/79/06/558247906.db2.gz PSYKWQVOCRXDDK-SJORKVTESA-N 1 1 355.394 2.431 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000377389799 558331610 /nfs/dbraw/zinc/33/16/10/558331610.db2.gz IHUSTWBURATZGY-AWEZNQCLSA-N 1 1 367.413 2.493 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000377766511 558415462 /nfs/dbraw/zinc/41/54/62/558415462.db2.gz FVGMIAKTQMRMPM-QZTJIDSGSA-N 1 1 355.442 2.245 20 5 FEBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000378365279 558540018 /nfs/dbraw/zinc/54/00/18/558540018.db2.gz IZIKZZBWMOVBEU-KCQAQPDRSA-N 1 1 351.451 2.192 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000378584371 558588827 /nfs/dbraw/zinc/58/88/27/558588827.db2.gz TWMCVZXSONLCIH-RVKKMQEKSA-N 1 1 367.409 2.178 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603878 558592421 /nfs/dbraw/zinc/59/24/21/558592421.db2.gz FDTZJOBXGXOLBF-HOCLYGCPSA-N 1 1 371.441 2.311 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000396479962 558623347 /nfs/dbraw/zinc/62/33/47/558623347.db2.gz KRUAJFICRSJPLO-AWEZNQCLSA-N 1 1 370.409 2.487 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000396479962 558623349 /nfs/dbraw/zinc/62/33/49/558623349.db2.gz KRUAJFICRSJPLO-AWEZNQCLSA-N 1 1 370.409 2.487 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000408371945 558671716 /nfs/dbraw/zinc/67/17/16/558671716.db2.gz GODUSSWQSKTECD-GOEBONIOSA-N 1 1 367.471 2.262 20 5 FEBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000524976759 562238828 /nfs/dbraw/zinc/23/88/28/562238828.db2.gz GWLLUFVWWJPLNE-LJQANCHMSA-N 1 1 370.409 2.353 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000411429025 558893595 /nfs/dbraw/zinc/89/35/95/558893595.db2.gz LTARJFNOAPXBRS-CQSZACIVSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ncc[nH]2)c([N+](=O)[O-])c1 ZINC000411429025 558893598 /nfs/dbraw/zinc/89/35/98/558893598.db2.gz LTARJFNOAPXBRS-CQSZACIVSA-N 1 1 359.386 2.492 20 5 FEBDMO COCC(COC)[NH+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000411841067 558974445 /nfs/dbraw/zinc/97/44/45/558974445.db2.gz DPYHULCDJVNEGC-UHFFFAOYSA-N 1 1 357.838 2.027 20 5 FEBDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411956131 558994718 /nfs/dbraw/zinc/99/47/18/558994718.db2.gz AWVSONFDDKPQKH-LJQANCHMSA-N 1 1 355.394 2.103 20 5 FEBDMO CC(C)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCC(=O)N1 ZINC000412069998 559009440 /nfs/dbraw/zinc/00/94/40/559009440.db2.gz GZMXKFWKSWCMER-ZDUSSCGKSA-N 1 1 359.386 2.134 20 5 FEBDMO CC(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@@H]1CCC(=O)N1 ZINC000412069998 559009442 /nfs/dbraw/zinc/00/94/42/559009442.db2.gz GZMXKFWKSWCMER-ZDUSSCGKSA-N 1 1 359.386 2.134 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1F ZINC000412169208 559017993 /nfs/dbraw/zinc/01/79/93/559017993.db2.gz IATVDDRDXQVMBS-WDEREUQCSA-N 1 1 351.378 2.026 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000413180523 559086104 /nfs/dbraw/zinc/08/61/04/559086104.db2.gz VPGCRPYYYUYSQM-NSHDSACASA-N 1 1 360.336 2.167 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419338390 559438170 /nfs/dbraw/zinc/43/81/70/559438170.db2.gz ZGADHTVWLWGWHH-HUUCEWRRSA-N 1 1 351.447 2.269 20 5 FEBDMO O=[N+]([O-])c1cnc2c(c1)CN(Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420951690 559513879 /nfs/dbraw/zinc/51/38/79/559513879.db2.gz SRHSWZZQEPGHAE-UHFFFAOYSA-N 1 1 368.437 2.380 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000421007572 559519253 /nfs/dbraw/zinc/51/92/53/559519253.db2.gz HRQCEWQGUYYQAF-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000421007572 559519254 /nfs/dbraw/zinc/51/92/54/559519254.db2.gz HRQCEWQGUYYQAF-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000425005748 559683182 /nfs/dbraw/zinc/68/31/82/559683182.db2.gz LSWGFYJILBWWFA-JKSUJKDBSA-N 1 1 369.425 2.158 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429402143 559797780 /nfs/dbraw/zinc/79/77/80/559797780.db2.gz NDAULPQBAIIVNN-RCBQFDQVSA-N 1 1 363.414 2.441 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000433852202 559888848 /nfs/dbraw/zinc/88/88/48/559888848.db2.gz LXBPEVGLHXEBOJ-CQSZACIVSA-N 1 1 357.414 2.446 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000434035967 559892803 /nfs/dbraw/zinc/89/28/03/559892803.db2.gz KCZBWWLQSNCHOP-BETUJISGSA-N 1 1 367.450 2.061 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc([N+](=O)[O-])c1 ZINC000434422379 559900086 /nfs/dbraw/zinc/90/00/86/559900086.db2.gz AMLZFGZZOCFXMZ-HNNXBMFYSA-N 1 1 361.398 2.128 20 5 FEBDMO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 ZINC000435750773 559929517 /nfs/dbraw/zinc/92/95/17/559929517.db2.gz ZPERCVBHQSZPNP-UHFFFAOYSA-N 1 1 373.431 2.206 20 5 FEBDMO Cc1cc(OCC(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801729 559930418 /nfs/dbraw/zinc/93/04/18/559930418.db2.gz UYQNHMOIYDQBOP-QZTJIDSGSA-N 1 1 369.421 2.496 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000439159340 559989316 /nfs/dbraw/zinc/98/93/16/559989316.db2.gz XGFXWPZFHZRGDS-YQQAZPJKSA-N 1 1 350.415 2.083 20 5 FEBDMO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440820821 560019008 /nfs/dbraw/zinc/01/90/08/560019008.db2.gz ZVELCSXWMNQORA-GMSGAONNSA-N 1 1 368.242 2.178 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000440468455 560011560 /nfs/dbraw/zinc/01/15/60/560011560.db2.gz XOEFGRQGYVPHSJ-IBGZPJMESA-N 1 1 371.393 2.102 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000441095439 560023590 /nfs/dbraw/zinc/02/35/90/560023590.db2.gz RCKNDMDICHUVBR-WDEREUQCSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000441095439 560023591 /nfs/dbraw/zinc/02/35/91/560023591.db2.gz RCKNDMDICHUVBR-WDEREUQCSA-N 1 1 368.821 2.128 20 5 FEBDMO COC(=O)[C@@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000441266708 560027464 /nfs/dbraw/zinc/02/74/64/560027464.db2.gz URUYEATZAPJZPE-KRWDZBQOSA-N 1 1 366.414 2.128 20 5 FEBDMO CCOc1ccccc1C[N@@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000441332828 560028880 /nfs/dbraw/zinc/02/88/80/560028880.db2.gz SBNFBWFQAKOAJR-OAHLLOKOSA-N 1 1 373.457 2.433 20 5 FEBDMO CCOc1ccccc1C[N@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)[C@H](C)C1 ZINC000441332828 560028881 /nfs/dbraw/zinc/02/88/81/560028881.db2.gz SBNFBWFQAKOAJR-OAHLLOKOSA-N 1 1 373.457 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000441381177 560030568 /nfs/dbraw/zinc/03/05/68/560030568.db2.gz IPKKSQGTTZFDDD-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443330703 560080109 /nfs/dbraw/zinc/08/01/09/560080109.db2.gz DJFZZNNGTBXJPC-WOSRLPQWSA-N 1 1 365.430 2.413 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000443330703 560080111 /nfs/dbraw/zinc/08/01/11/560080111.db2.gz DJFZZNNGTBXJPC-WOSRLPQWSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443331967 560080554 /nfs/dbraw/zinc/08/05/54/560080554.db2.gz WUXDLOYWSJCSEZ-WOSRLPQWSA-N 1 1 365.430 2.413 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000443979767 560098324 /nfs/dbraw/zinc/09/83/24/560098324.db2.gz BPCJVJKTJKWDHZ-UHFFFAOYSA-N 1 1 369.487 2.179 20 5 FEBDMO CC(C)c1[nH+]ccn1CCC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444634937 560117386 /nfs/dbraw/zinc/11/73/86/560117386.db2.gz IWZSVPPQWXFCEJ-UHFFFAOYSA-N 1 1 356.386 2.498 20 5 FEBDMO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000445560164 560132938 /nfs/dbraw/zinc/13/29/38/560132938.db2.gz XETCFPNJXHWGDL-DTWKUNHWSA-N 1 1 368.242 2.450 20 5 FEBDMO Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc1 ZINC000447306796 560159808 /nfs/dbraw/zinc/15/98/08/560159808.db2.gz SGQVVNSPFKOMFI-AWEZNQCLSA-N 1 1 370.413 2.208 20 5 FEBDMO CN(C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000448962757 560209079 /nfs/dbraw/zinc/20/90/79/560209079.db2.gz QRQXMBXRYVMPRH-OAHLLOKOSA-N 1 1 355.398 2.294 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12COC2 ZINC000449359265 560226600 /nfs/dbraw/zinc/22/66/00/560226600.db2.gz GMNGMGCEMZCIMW-ZDUSSCGKSA-N 1 1 354.790 2.260 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC12COC2 ZINC000449359265 560226601 /nfs/dbraw/zinc/22/66/01/560226601.db2.gz GMNGMGCEMZCIMW-ZDUSSCGKSA-N 1 1 354.790 2.260 20 5 FEBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nn(C)cc1Cl ZINC000449478707 560231515 /nfs/dbraw/zinc/23/15/15/560231515.db2.gz KRYHBYBBBXZENY-SNVBAGLBSA-N 1 1 351.794 2.489 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419601 560305756 /nfs/dbraw/zinc/30/57/56/560305756.db2.gz LSICWUSEHOBQGH-TVFCKZIOSA-N 1 1 359.426 2.326 20 5 FEBDMO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548435 560313681 /nfs/dbraw/zinc/31/36/81/560313681.db2.gz NFDANSHQOWQYMA-INIZCTEOSA-N 1 1 367.409 2.284 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451691011 560322211 /nfs/dbraw/zinc/32/22/11/560322211.db2.gz BCXXHBPCWHAJGF-DTTOXWODSA-N 1 1 359.426 2.183 20 5 FEBDMO CCOc1ccc(NC(=O)CN2CC[N@@H+](CC)C[C@H]2CC)c([N+](=O)[O-])c1 ZINC000451734062 560325588 /nfs/dbraw/zinc/32/55/88/560325588.db2.gz WJJOSBUDCVCIOS-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[C@H]1CN(CC)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451734534 560325645 /nfs/dbraw/zinc/32/56/45/560325645.db2.gz WYRNEDBGKWEBKU-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[C@H]1CN(CC)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451734534 560325646 /nfs/dbraw/zinc/32/56/46/560325646.db2.gz WYRNEDBGKWEBKU-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000451790945 560328656 /nfs/dbraw/zinc/32/86/56/560328656.db2.gz PHVZCSDYUXJBSR-KGLIPLIRSA-N 1 1 360.370 2.466 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451902927 560336033 /nfs/dbraw/zinc/33/60/33/560336033.db2.gz IOECPUIPBIQTDV-HZMBPMFUSA-N 1 1 364.320 2.227 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)CN1CCCC1 ZINC000452093021 560350688 /nfs/dbraw/zinc/35/06/88/560350688.db2.gz FXSBQKVTVIKQGO-UHFFFAOYSA-N 1 1 350.419 2.006 20 5 FEBDMO CC1(C)C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]2COC[C@@H]21 ZINC000452123429 560352678 /nfs/dbraw/zinc/35/26/78/560352678.db2.gz WGODLIJPFUBNMC-DZGCQCFKSA-N 1 1 361.398 2.250 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000454927159 560463732 /nfs/dbraw/zinc/46/37/32/560463732.db2.gz MYWOXEWHSGCMDL-AWEZNQCLSA-N 1 1 350.419 2.180 20 5 FEBDMO CNc1nc(C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456035078 560505166 /nfs/dbraw/zinc/50/51/66/560505166.db2.gz ANUWACJATBEMBO-BBRMVZONSA-N 1 1 369.425 2.282 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000456161130 560509173 /nfs/dbraw/zinc/50/91/73/560509173.db2.gz HXIZMTIYAXZERC-RISCZKNCSA-N 1 1 353.806 2.180 20 5 FEBDMO O=C1[C@H]([N@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656453 560700387 /nfs/dbraw/zinc/70/03/87/560700387.db2.gz DXGJWKZQNVZBEO-ZACQAIPSSA-N 1 1 357.410 2.201 20 5 FEBDMO COCCNC(=O)C1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000459762250 560706714 /nfs/dbraw/zinc/70/67/14/560706714.db2.gz VXVCOXTZDHTAJW-UHFFFAOYSA-N 1 1 359.382 2.240 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000461543057 560774966 /nfs/dbraw/zinc/77/49/66/560774966.db2.gz LXECYLCOFZVLPI-ZDUSSCGKSA-N 1 1 374.445 2.334 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000465994035 560877612 /nfs/dbraw/zinc/87/76/12/560877612.db2.gz YTEKBIIIBAONDB-OAHLLOKOSA-N 1 1 363.462 2.489 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467143093 560904599 /nfs/dbraw/zinc/90/45/99/560904599.db2.gz XKTSCTOLIVDBEC-ZDUSSCGKSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000467143093 560904600 /nfs/dbraw/zinc/90/46/00/560904600.db2.gz XKTSCTOLIVDBEC-ZDUSSCGKSA-N 1 1 351.403 2.433 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000470183336 560976331 /nfs/dbraw/zinc/97/63/31/560976331.db2.gz QHVUFXYOZRCSLZ-CRPZLVSXSA-N 1 1 367.471 2.400 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000470183336 560976332 /nfs/dbraw/zinc/97/63/32/560976332.db2.gz QHVUFXYOZRCSLZ-CRPZLVSXSA-N 1 1 367.471 2.400 20 5 FEBDMO O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470284161 560977978 /nfs/dbraw/zinc/97/79/78/560977978.db2.gz DSCNRMSSQGQBCK-IBGZPJMESA-N 1 1 367.405 2.459 20 5 FEBDMO O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000470284161 560977979 /nfs/dbraw/zinc/97/79/79/560977979.db2.gz DSCNRMSSQGQBCK-IBGZPJMESA-N 1 1 367.405 2.459 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000472612991 561030985 /nfs/dbraw/zinc/03/09/85/561030985.db2.gz YUBSMKPDQSKUCR-BXUZGUMPSA-N 1 1 366.393 2.004 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000476657810 561125447 /nfs/dbraw/zinc/12/54/47/561125447.db2.gz MHQMJEBSPNXNCD-DZGCQCFKSA-N 1 1 357.414 2.111 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000531137276 562435871 /nfs/dbraw/zinc/43/58/71/562435871.db2.gz QNWUHQSJSJGEJI-GOEBONIOSA-N 1 1 364.446 2.488 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000532571902 562481909 /nfs/dbraw/zinc/48/19/09/562481909.db2.gz MZFZMDXVOSNJKS-CQSZACIVSA-N 1 1 373.409 2.425 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000532571902 562481910 /nfs/dbraw/zinc/48/19/10/562481910.db2.gz MZFZMDXVOSNJKS-CQSZACIVSA-N 1 1 373.409 2.425 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000533022575 562495991 /nfs/dbraw/zinc/49/59/91/562495991.db2.gz WFGIGJSDRSDHHX-UHFFFAOYSA-N 1 1 365.430 2.094 20 5 FEBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000535245874 562553818 /nfs/dbraw/zinc/55/38/18/562553818.db2.gz GYXXJQVXSZRZRH-CQSZACIVSA-N 1 1 372.377 2.122 20 5 FEBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)C2 ZINC000535245874 562553819 /nfs/dbraw/zinc/55/38/19/562553819.db2.gz GYXXJQVXSZRZRH-CQSZACIVSA-N 1 1 372.377 2.122 20 5 FEBDMO COc1ccc(CC(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901244 562596149 /nfs/dbraw/zinc/59/61/49/562596149.db2.gz XJZYKCOOWPONSJ-IRXDYDNUSA-N 1 1 369.421 2.360 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(CCCO)CC1 ZINC000541129874 562603860 /nfs/dbraw/zinc/60/38/60/562603860.db2.gz FOSLWJGQRNGHMD-ZDUSSCGKSA-N 1 1 365.430 2.415 20 5 FEBDMO CCc1n[nH]c(C(=O)NCc2ccccc2-n2cc[nH+]c2C)c1[N+](=O)[O-] ZINC000609476761 568323963 /nfs/dbraw/zinc/32/39/63/568323963.db2.gz JWLCCHMOQKKVHR-UHFFFAOYSA-N 1 1 354.370 2.304 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820126978 599496887 /nfs/dbraw/zinc/49/68/87/599496887.db2.gz GJLPUCNECZDIJU-NSHDSACASA-N 1 1 368.401 2.218 20 5 FEBDMO C[NH+](C)Cc1cnc(CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000809549843 674496966 /nfs/dbraw/zinc/49/69/66/674496966.db2.gz ODXLKTXEISUSRN-UHFFFAOYSA-N 1 1 361.471 2.435 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000689 606226372 /nfs/dbraw/zinc/22/63/72/606226372.db2.gz HXBDWLBUNZGEHF-ZIAGYGMSSA-N 1 1 357.418 2.228 20 5 FEBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000559682705 674552758 /nfs/dbraw/zinc/55/27/58/674552758.db2.gz HFNDOMMVFWPXFG-UHFFFAOYSA-N 1 1 357.395 2.495 20 5 FEBDMO C[C@@H]([NH2+]CC(=O)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000824562264 608563182 /nfs/dbraw/zinc/56/31/82/608563182.db2.gz DMIQXELOXAUYTG-LLVKDONJSA-N 1 1 367.369 2.064 20 5 FEBDMO COc1cc(OCC(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000810846732 674564960 /nfs/dbraw/zinc/56/49/60/674564960.db2.gz IKIODMTWVOHYAI-TZMCWYRMSA-N 1 1 350.371 2.152 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@H]2C1 ZINC000812343819 674669205 /nfs/dbraw/zinc/66/92/05/674669205.db2.gz WCLQACQXMLLPQD-MNOVXSKESA-N 1 1 368.231 2.381 20 5 FEBDMO CC(C)(C)c1nnc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000564847667 675067722 /nfs/dbraw/zinc/06/77/22/675067722.db2.gz APKYQSOOWKCTKR-LLVKDONJSA-N 1 1 366.443 2.273 20 5 FEBDMO COCCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000056307750 670362251 /nfs/dbraw/zinc/36/22/51/670362251.db2.gz OIIOQPYKBSSFCQ-UHFFFAOYSA-N 1 1 353.394 2.099 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000083981564 670663642 /nfs/dbraw/zinc/66/36/42/670663642.db2.gz SLSDTXUCDWEQKK-UHFFFAOYSA-N 1 1 361.851 2.321 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000571207033 670835575 /nfs/dbraw/zinc/83/55/75/670835575.db2.gz MUKVRUMXJNWJMV-UHFFFAOYSA-N 1 1 368.242 2.180 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000565707826 675145056 /nfs/dbraw/zinc/14/50/56/675145056.db2.gz LHUINVVNJKGEDM-AWEZNQCLSA-N 1 1 370.475 2.309 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000111635899 670859902 /nfs/dbraw/zinc/85/99/02/670859902.db2.gz QJNBRHAECCBKOE-CYBMUJFWSA-N 1 1 350.375 2.416 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000572690002 671032551 /nfs/dbraw/zinc/03/25/51/671032551.db2.gz XMXKCKCFKBQVQF-CYBMUJFWSA-N 1 1 350.419 2.229 20 5 FEBDMO CC(C)(C)[NH+]1CCC(NC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000572903584 671058075 /nfs/dbraw/zinc/05/80/75/671058075.db2.gz WFSNUPGIESHQIV-MRXNPFEDSA-N 1 1 351.447 2.187 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000573566128 671137699 /nfs/dbraw/zinc/13/76/99/671137699.db2.gz DHKXKMRTRGRKAW-HNNXBMFYSA-N 1 1 350.419 2.098 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000575043334 671294683 /nfs/dbraw/zinc/29/46/83/671294683.db2.gz VKWPSNKRZHFUSX-KRWDZBQOSA-N 1 1 365.455 2.440 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000609476722 675923343 /nfs/dbraw/zinc/92/33/43/675923343.db2.gz ZVSPYXMDXGZMHU-UHFFFAOYSA-N 1 1 351.451 2.464 20 5 FEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000579853134 671765954 /nfs/dbraw/zinc/76/59/54/671765954.db2.gz DBSDWIGGUYYZMV-STQMWFEESA-N 1 1 352.410 2.099 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610133850 675955865 /nfs/dbraw/zinc/95/58/65/675955865.db2.gz ZPUXDFBEVISYOL-QWHCGFSZSA-N 1 1 355.460 2.307 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123978283 671988585 /nfs/dbraw/zinc/98/85/85/671988585.db2.gz YHVLZBHERYQNMW-QWRGUYRKSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123978283 671988588 /nfs/dbraw/zinc/98/85/88/671988588.db2.gz YHVLZBHERYQNMW-QWRGUYRKSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000124578963 671999608 /nfs/dbraw/zinc/99/96/08/671999608.db2.gz KPGSCBRVLNQXLU-WDEREUQCSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000124578963 671999611 /nfs/dbraw/zinc/99/96/11/671999611.db2.gz KPGSCBRVLNQXLU-WDEREUQCSA-N 1 1 373.862 2.460 20 5 FEBDMO CC(C)(CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000584834942 672220265 /nfs/dbraw/zinc/22/02/65/672220265.db2.gz KBILTUCKXZHAHJ-OAHLLOKOSA-N 1 1 351.447 2.046 20 5 FEBDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176225272 672374477 /nfs/dbraw/zinc/37/44/77/672374477.db2.gz ORFKFYJALLQPGX-CYBMUJFWSA-N 1 1 353.423 2.123 20 5 FEBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205227 676024810 /nfs/dbraw/zinc/02/48/10/676024810.db2.gz OPSSESXCCBBKRK-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000611205225 676025012 /nfs/dbraw/zinc/02/50/12/676025012.db2.gz OPSSESXCCBBKRK-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCS[C@@H]3COCC[C@@H]31)OCCO2 ZINC000611285304 676029945 /nfs/dbraw/zinc/02/99/45/676029945.db2.gz YALLMRUBKFUGEE-BLLLJJGKSA-N 1 1 352.412 2.072 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCS[C@@H]3COCC[C@@H]31)OCCO2 ZINC000611285304 676029947 /nfs/dbraw/zinc/02/99/47/676029947.db2.gz YALLMRUBKFUGEE-BLLLJJGKSA-N 1 1 352.412 2.072 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186802125 672556027 /nfs/dbraw/zinc/55/60/27/672556027.db2.gz VKNKSUDDAXQOSL-UHFFFAOYSA-N 1 1 365.455 2.440 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186802125 672556031 /nfs/dbraw/zinc/55/60/31/672556031.db2.gz VKNKSUDDAXQOSL-UHFFFAOYSA-N 1 1 365.455 2.440 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2CC)c([N+](=O)[O-])cc1OC ZINC000591004655 672640088 /nfs/dbraw/zinc/64/00/88/672640088.db2.gz HVNOILGYLWHJFE-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)c([N+](=O)[O-])cc1OC ZINC000591004655 672640089 /nfs/dbraw/zinc/64/00/89/672640089.db2.gz HVNOILGYLWHJFE-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1sccc1C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC000192641537 672696506 /nfs/dbraw/zinc/69/65/06/672696506.db2.gz JONJCRUJAOFLIY-UHFFFAOYSA-N 1 1 362.411 2.216 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000194345795 672757136 /nfs/dbraw/zinc/75/71/36/672757136.db2.gz QHQVBARMSKTBLP-RYUDHWBXSA-N 1 1 359.423 2.133 20 5 FEBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000592183865 672768679 /nfs/dbraw/zinc/76/86/79/672768679.db2.gz CKRMFJFOOGFMMO-AWEZNQCLSA-N 1 1 361.320 2.104 20 5 FEBDMO CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000592183865 672768682 /nfs/dbraw/zinc/76/86/82/672768682.db2.gz CKRMFJFOOGFMMO-AWEZNQCLSA-N 1 1 361.320 2.104 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c(Br)c1 ZINC000250757012 672876319 /nfs/dbraw/zinc/87/63/19/672876319.db2.gz GIZMVFQZTPADJA-ONGXEEELSA-N 1 1 357.208 2.027 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612483274 676084088 /nfs/dbraw/zinc/08/40/88/676084088.db2.gz NQBZGAGUFPVZAS-OLZOCXBDSA-N 1 1 353.394 2.064 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484772 673088289 /nfs/dbraw/zinc/08/82/89/673088289.db2.gz UJGOKUYLECJVGC-CABCVRRESA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594791360 673143846 /nfs/dbraw/zinc/14/38/46/673143846.db2.gz ODQOXZJRHGYSLN-CYBMUJFWSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000594800900 673147887 /nfs/dbraw/zinc/14/78/87/673147887.db2.gz JLQAYDGHEVKWOQ-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000595039188 673188581 /nfs/dbraw/zinc/18/85/81/673188581.db2.gz OAVXPVQDYNPRGF-AWEZNQCLSA-N 1 1 350.463 2.280 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000595039188 673188585 /nfs/dbraw/zinc/18/85/85/673188585.db2.gz OAVXPVQDYNPRGF-AWEZNQCLSA-N 1 1 350.463 2.280 20 5 FEBDMO Cc1noc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595485066 673256945 /nfs/dbraw/zinc/25/69/45/673256945.db2.gz QLZWDGOLZJEBKT-SNVBAGLBSA-N 1 1 364.324 2.172 20 5 FEBDMO Cc1noc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595485066 673256946 /nfs/dbraw/zinc/25/69/46/673256946.db2.gz QLZWDGOLZJEBKT-SNVBAGLBSA-N 1 1 364.324 2.172 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000596145993 673363030 /nfs/dbraw/zinc/36/30/30/673363030.db2.gz JLPIZVJGQWXTKR-QWHCGFSZSA-N 1 1 370.475 2.178 20 5 FEBDMO Nc1ccc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)nc1[N+](=O)[O-] ZINC000596210933 673368350 /nfs/dbraw/zinc/36/83/50/673368350.db2.gz RXKBEMSLYLVYES-CQSZACIVSA-N 1 1 359.455 2.602 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CC(C[NH+]2CCOCC2)C1 ZINC000596239995 673370967 /nfs/dbraw/zinc/37/09/67/673370967.db2.gz RRPFYRIADPFLGI-UHFFFAOYSA-N 1 1 356.220 2.126 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(NC[C@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])c1 ZINC000596305905 673375902 /nfs/dbraw/zinc/37/59/02/673375902.db2.gz CQCVNCTVYFPZND-GFCCVEGCSA-N 1 1 370.475 2.130 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596540502 673392781 /nfs/dbraw/zinc/39/27/81/673392781.db2.gz TZOIIQDLHXQIFP-ZDUSSCGKSA-N 1 1 370.247 2.393 20 5 FEBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597575913 673488882 /nfs/dbraw/zinc/48/88/82/673488882.db2.gz ACVDTGVHIBZPPZ-CABCVRRESA-N 1 1 357.332 2.060 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597575120 673488919 /nfs/dbraw/zinc/48/89/19/673488919.db2.gz LICJWNPJLOAKKX-HUUCEWRRSA-N 1 1 353.419 2.332 20 5 FEBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597575914 673488931 /nfs/dbraw/zinc/48/89/31/673488931.db2.gz ACVDTGVHIBZPPZ-GJZGRUSLSA-N 1 1 357.332 2.060 20 5 FEBDMO O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)c1csc([N+](=O)[O-])c1 ZINC000598367381 673563069 /nfs/dbraw/zinc/56/30/69/673563069.db2.gz WSNRBZXJKDRVIK-CHWSQXEVSA-N 1 1 351.428 2.030 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000598644563 673593576 /nfs/dbraw/zinc/59/35/76/673593576.db2.gz PZWUFNIHGQGWMF-QGZVFWFLSA-N 1 1 362.407 2.233 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000542651878 673595177 /nfs/dbraw/zinc/59/51/77/673595177.db2.gz MYUYJJBBSUXSFL-CYBMUJFWSA-N 1 1 367.471 2.141 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000542750206 673601944 /nfs/dbraw/zinc/60/19/44/673601944.db2.gz AQNTUMSYAUYROU-ZDUSSCGKSA-N 1 1 355.460 2.364 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000543208300 673632723 /nfs/dbraw/zinc/63/27/23/673632723.db2.gz SJBJYCRBKXHCEI-GOEBONIOSA-N 1 1 369.487 2.173 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000599544271 673690065 /nfs/dbraw/zinc/69/00/65/673690065.db2.gz YRIZQZUEOMNSSI-INIZCTEOSA-N 1 1 350.415 2.357 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCN(CCCF)CC1 ZINC000599671307 673704563 /nfs/dbraw/zinc/70/45/63/673704563.db2.gz RLOLTCATSPEAMF-UHFFFAOYSA-N 1 1 352.410 2.209 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000544660454 673724074 /nfs/dbraw/zinc/72/40/74/673724074.db2.gz REPOZIHPRBMRMA-GFCCVEGCSA-N 1 1 355.460 2.222 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000744246455 673788798 /nfs/dbraw/zinc/78/87/98/673788798.db2.gz OBLAQQFVTYQLCS-UHFFFAOYSA-N 1 1 359.423 2.277 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1[NH+]1CCOCC1 ZINC000603110705 673917444 /nfs/dbraw/zinc/91/74/44/673917444.db2.gz PHPUPCYOHNOUQR-CABCVRRESA-N 1 1 367.833 2.477 20 5 FEBDMO CN(C[C@H](O)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000822717961 675502536 /nfs/dbraw/zinc/50/25/36/675502536.db2.gz VXRMNHQMBPTEEB-OAHLLOKOSA-N 1 1 353.419 2.254 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000823133260 675531403 /nfs/dbraw/zinc/53/14/03/675531403.db2.gz LKKYYCONUAQVLG-SNVBAGLBSA-N 1 1 371.235 2.106 20 5 FEBDMO O=C(N1C[C@@H]2CC[N@@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]2C1)C(F)(F)F ZINC000824828527 675623909 /nfs/dbraw/zinc/62/39/09/675623909.db2.gz NWLYAHGAABPJAQ-QWRGUYRKSA-N 1 1 363.361 2.499 20 5 FEBDMO O=C(N1C[C@@H]2CC[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]2C1)C(F)(F)F ZINC000824828527 675623911 /nfs/dbraw/zinc/62/39/11/675623911.db2.gz NWLYAHGAABPJAQ-QWRGUYRKSA-N 1 1 363.361 2.499 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000825756320 675667579 /nfs/dbraw/zinc/66/75/79/675667579.db2.gz PEUYATXIPHXELJ-GDBMZVCRSA-N 1 1 367.833 2.228 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000619498490 676381920 /nfs/dbraw/zinc/38/19/20/676381920.db2.gz MRKOBBUYQYPGMK-CHWSQXEVSA-N 1 1 371.459 2.002 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830452063 677040478 /nfs/dbraw/zinc/04/04/78/677040478.db2.gz XGFVQBVHSZPHEB-IUODEOHRSA-N 1 1 353.419 2.473 20 5 FEBDMO CC(C)[N@H+]1CCCC[C@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000840209780 680807587 /nfs/dbraw/zinc/80/75/87/680807587.db2.gz BXSUTKQQXPWCBX-ZDUSSCGKSA-N 1 1 367.427 2.002 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831970929 680069105 /nfs/dbraw/zinc/06/91/05/680069105.db2.gz HOMJSWYRZACEBE-CYBMUJFWSA-N 1 1 352.410 2.479 20 5 FEBDMO CC[C@@H]1CN(CC)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831970929 680069106 /nfs/dbraw/zinc/06/91/06/680069106.db2.gz HOMJSWYRZACEBE-CYBMUJFWSA-N 1 1 352.410 2.479 20 5 FEBDMO CC[C@@H]1CN(CC)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831970929 680069108 /nfs/dbraw/zinc/06/91/08/680069108.db2.gz HOMJSWYRZACEBE-CYBMUJFWSA-N 1 1 352.410 2.479 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](Cc1ccc(Cl)cc1)C2 ZINC000981765191 680250652 /nfs/dbraw/zinc/25/06/52/680250652.db2.gz UCTGULISBSAFIP-HZPDHXFCSA-N 1 1 363.845 2.430 20 5 FEBDMO COc1cc(C(=O)OC[C@@H]2C[N@@H+](C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000835297514 680316166 /nfs/dbraw/zinc/31/61/66/680316166.db2.gz LOOTZWBMRKOGJX-NSHDSACASA-N 1 1 356.350 2.009 20 5 FEBDMO COc1cc(C(=O)OC[C@@H]2C[N@H+](C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000835297514 680316168 /nfs/dbraw/zinc/31/61/68/680316168.db2.gz LOOTZWBMRKOGJX-NSHDSACASA-N 1 1 356.350 2.009 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000996429712 680332318 /nfs/dbraw/zinc/33/23/18/680332318.db2.gz UBMMUFGLZPVBIL-TZMCWYRMSA-N 1 1 355.797 2.225 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000836089292 680419907 /nfs/dbraw/zinc/41/99/07/680419907.db2.gz WNJWURFPAKZSDK-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000836368729 680458778 /nfs/dbraw/zinc/45/87/78/680458778.db2.gz TVUJJCFQUJPHJK-LBPRGKRZSA-N 1 1 356.810 2.217 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000757256884 680520342 /nfs/dbraw/zinc/52/03/42/680520342.db2.gz VKYCGSSKPZOXNI-UHFFFAOYSA-N 1 1 370.837 2.112 20 5 FEBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001005383666 680573773 /nfs/dbraw/zinc/57/37/73/680573773.db2.gz URXAQPGQXPNCIU-IAGOWNOFSA-N 1 1 365.861 2.471 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000841546747 680895251 /nfs/dbraw/zinc/89/52/51/680895251.db2.gz VDEVTCCVVGOSBD-LBPRGKRZSA-N 1 1 359.423 2.053 20 5 FEBDMO COc1cc(Cc2noc([C@@H]([NH3+])CCSC)n2)c([N+](=O)[O-])c(OC)c1 ZINC000843224952 680993298 /nfs/dbraw/zinc/99/32/98/680993298.db2.gz CBPCWBUAICQQOH-NSHDSACASA-N 1 1 368.415 2.339 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770016992 681003039 /nfs/dbraw/zinc/00/30/39/681003039.db2.gz SJOJFBYKASIJTD-UHFFFAOYSA-N 1 1 369.853 2.397 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000771140347 681043671 /nfs/dbraw/zinc/04/36/71/681043671.db2.gz LGGKVTIDDVEKQN-LBPRGKRZSA-N 1 1 369.853 2.396 20 5 FEBDMO CCOc1cc(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000845814057 681154278 /nfs/dbraw/zinc/15/42/78/681154278.db2.gz JTORVMLZUZACOS-NEPJUHHUSA-N 1 1 352.387 2.499 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000773853531 681157613 /nfs/dbraw/zinc/15/76/13/681157613.db2.gz WDBUSJSMVBVFLV-LLVKDONJSA-N 1 1 350.394 2.014 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC000932907410 681325967 /nfs/dbraw/zinc/32/59/67/681325967.db2.gz DJRZFZYFGBFRKV-VIFPVBQESA-N 1 1 358.801 2.383 20 5 FEBDMO O=C1[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCN1C1CCOCC1 ZINC000776232003 681374824 /nfs/dbraw/zinc/37/48/24/681374824.db2.gz SRLJRIPJZVDXDH-OAHLLOKOSA-N 1 1 353.806 2.118 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000933278448 681385929 /nfs/dbraw/zinc/38/59/29/681385929.db2.gz LTSXJWFURIVPGC-LBPRGKRZSA-N 1 1 353.444 2.015 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000933739387 681460487 /nfs/dbraw/zinc/46/04/87/681460487.db2.gz VUVKPNSCLYMIOB-BZNIZROVSA-N 1 1 352.822 2.070 20 5 FEBDMO CN1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@@H+](C)CC1 ZINC000933992986 681494643 /nfs/dbraw/zinc/49/46/43/681494643.db2.gz SVAMOHSVJINFPD-UHFFFAOYSA-N 1 1 371.279 2.037 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581313 681581791 /nfs/dbraw/zinc/58/17/91/681581791.db2.gz OYNDDFUDNPWDAA-AAEUAGOBSA-N 1 1 355.341 2.309 20 5 FEBDMO CC1(C)CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CCO ZINC000935541029 681770839 /nfs/dbraw/zinc/77/08/39/681770839.db2.gz OWDVHSSWVKLOKT-UHFFFAOYSA-N 1 1 369.849 2.096 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[NH+](CCCCCO)CC1 ZINC000913692659 685482410 /nfs/dbraw/zinc/48/24/10/685482410.db2.gz VDKQMXUDGBCMCO-UHFFFAOYSA-N 1 1 355.822 2.169 20 5 FEBDMO C[NH+]1CCN(CC2CN(c3cccc(Br)c3[N+](=O)[O-])C2)CC1 ZINC000858611815 682985077 /nfs/dbraw/zinc/98/50/77/682985077.db2.gz SIHMYBWVQKBUBN-UHFFFAOYSA-N 1 1 369.263 2.041 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859364257 683093999 /nfs/dbraw/zinc/09/39/99/683093999.db2.gz FAYRCXWBOJUAHG-UHFFFAOYSA-N 1 1 368.865 2.252 20 5 FEBDMO Cc1c(CC(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000797021246 683216243 /nfs/dbraw/zinc/21/62/43/683216243.db2.gz WTOWHGMDFXYSPA-MRXNPFEDSA-N 1 1 350.415 2.346 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000798227962 683325770 /nfs/dbraw/zinc/32/57/70/683325770.db2.gz BKSPMPNCOGZLSN-SECBINFHSA-N 1 1 367.830 2.396 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000920704804 683362362 /nfs/dbraw/zinc/36/23/62/683362362.db2.gz KOXCHJKYEULRCP-AWEZNQCLSA-N 1 1 352.387 2.117 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455805 683455540 /nfs/dbraw/zinc/45/55/40/683455540.db2.gz UKMFVGGJMKPOCH-WCBMZHEXSA-N 1 1 359.329 2.027 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000930304578 683707954 /nfs/dbraw/zinc/70/79/54/683707954.db2.gz HWVSPOCUQZXJEI-AWEZNQCLSA-N 1 1 356.220 2.315 20 5 FEBDMO CC(C)[N@@H+](C)CCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865819302 684033278 /nfs/dbraw/zinc/03/32/78/684033278.db2.gz HZHXKLLATKNJAK-UHFFFAOYSA-N 1 1 358.236 2.356 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000866793915 684154182 /nfs/dbraw/zinc/15/41/82/684154182.db2.gz LKZZDJXDHQRPMF-LBPRGKRZSA-N 1 1 359.423 2.005 20 5 FEBDMO COc1cc(CN2CCn3cc[nH+]c32)c([N+](=O)[O-])cc1OCC(F)F ZINC000931521524 684297145 /nfs/dbraw/zinc/29/71/45/684297145.db2.gz LKTLIVZGKSYCQB-UHFFFAOYSA-N 1 1 354.313 2.464 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1Cl ZINC000869776534 684654227 /nfs/dbraw/zinc/65/42/27/684654227.db2.gz LYBLUEJMDAFEFD-NSHDSACASA-N 1 1 355.822 2.132 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OC2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000870828997 684760433 /nfs/dbraw/zinc/76/04/33/684760433.db2.gz ZVIBYVPLKIIHTE-IJGSQOGDSA-N 1 1 354.382 2.251 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1C ZINC000872663790 685000147 /nfs/dbraw/zinc/00/01/47/685000147.db2.gz LITBFDRFONRZDQ-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1C ZINC000872663790 685000149 /nfs/dbraw/zinc/00/01/49/685000149.db2.gz LITBFDRFONRZDQ-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c(C)c1[N+](=O)[O-] ZINC000872666112 685001315 /nfs/dbraw/zinc/00/13/15/685001315.db2.gz WSBKDGGHWILUND-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C[N@H+]1CCO ZINC000910928808 685140324 /nfs/dbraw/zinc/14/03/24/685140324.db2.gz RVNMSEMPSVIZMR-OLZOCXBDSA-N 1 1 369.849 2.094 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000879371146 686807549 /nfs/dbraw/zinc/80/75/49/686807549.db2.gz ZWYQHBHAFRTLMO-KBPBESRZSA-N 1 1 358.341 2.149 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000879371146 686807561 /nfs/dbraw/zinc/80/75/61/686807561.db2.gz ZWYQHBHAFRTLMO-KBPBESRZSA-N 1 1 358.341 2.149 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@H](c2nccs2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880318942 687033587 /nfs/dbraw/zinc/03/35/87/687033587.db2.gz QGKFZGODCQJIPW-CYBMUJFWSA-N 1 1 358.423 2.430 20 5 FEBDMO O=C(C[N@H+]1CC[C@@H](c2nccs2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000880318942 687033590 /nfs/dbraw/zinc/03/35/90/687033590.db2.gz QGKFZGODCQJIPW-CYBMUJFWSA-N 1 1 358.423 2.430 20 5 FEBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1SCCOC ZINC000882490857 687376639 /nfs/dbraw/zinc/37/66/39/687376639.db2.gz XVGJDIDBBMGBSN-CYBMUJFWSA-N 1 1 353.444 2.157 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756903 688818073 /nfs/dbraw/zinc/81/80/73/688818073.db2.gz PCLNTEJVKQZZKH-ZIAGYGMSSA-N 1 1 367.833 2.228 20 5 FEBDMO Cn1nc2c(c1C[NH+]1CCC(n3ccc([N+](=O)[O-])n3)CC1)CSCC2 ZINC000894579460 689558346 /nfs/dbraw/zinc/55/83/46/689558346.db2.gz LLNOBCQHQMATFZ-UHFFFAOYSA-N 1 1 362.459 2.151 20 5 FEBDMO C[C@@]1(Br)C[C@@H]1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000894801418 689599014 /nfs/dbraw/zinc/59/90/14/689599014.db2.gz JBWCFKZPCZIECW-BXUZGUMPSA-N 1 1 355.236 2.285 20 5 FEBDMO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000895689140 689755479 /nfs/dbraw/zinc/75/54/79/689755479.db2.gz VIKJFHDWBXFDKQ-FKQCQYRASA-N 1 1 369.262 2.084 20 5 FEBDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000895705789 689757033 /nfs/dbraw/zinc/75/70/33/689757033.db2.gz BPNXAQCUTGWLGW-KRWDZBQOSA-N 1 1 362.407 2.433 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c(Br)c1 ZINC000897221091 689990140 /nfs/dbraw/zinc/99/01/40/689990140.db2.gz HCFNEWKXLZMYGX-HUUCEWRRSA-N 1 1 370.247 2.393 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(Br)c1 ZINC000897221091 689990142 /nfs/dbraw/zinc/99/01/42/689990142.db2.gz HCFNEWKXLZMYGX-HUUCEWRRSA-N 1 1 370.247 2.393 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)C1 ZINC000900606306 690538006 /nfs/dbraw/zinc/53/80/06/690538006.db2.gz RWDUGICMIRAZOC-LLVKDONJSA-N 1 1 359.785 2.228 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000902980864 690826697 /nfs/dbraw/zinc/82/66/97/690826697.db2.gz VNMQYEHJUWBEFT-CYBMUJFWSA-N 1 1 352.366 2.109 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CNCCC3(F)F)CC2)cc1 ZINC000903956713 690989650 /nfs/dbraw/zinc/98/96/50/690989650.db2.gz NEIMSCZZHIDDND-CYBMUJFWSA-N 1 1 354.401 2.398 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000906458558 691271749 /nfs/dbraw/zinc/27/17/49/691271749.db2.gz GQYUSJLTQICUNX-HUUCEWRRSA-N 1 1 367.833 2.160 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)[C@@H](C)C1 ZINC000910281874 691910698 /nfs/dbraw/zinc/91/06/98/691910698.db2.gz FHLZRCMIXOFBRI-ZDUSSCGKSA-N 1 1 367.471 2.236 20 5 FEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)[C@@H]2CCCO[C@H]12 ZINC001164794230 721527442 /nfs/dbraw/zinc/52/74/42/721527442.db2.gz ADMRXHNTHGNLRD-LMMKCTJWSA-N 1 1 369.425 2.253 20 5 FEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)[C@@H]2CCCO[C@H]12 ZINC001164794230 721527446 /nfs/dbraw/zinc/52/74/46/721527446.db2.gz ADMRXHNTHGNLRD-LMMKCTJWSA-N 1 1 369.425 2.253 20 5 FEBDMO Nc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164955494 722018980 /nfs/dbraw/zinc/01/89/80/722018980.db2.gz JIUJDHVNNROWSV-UHFFFAOYSA-N 1 1 368.441 2.460 20 5 FEBDMO C[C@H]1C[C@@H](CCNc2ncc([N+](=O)[O-])c(N)n2)C[N@H+]1Cc1ccccc1 ZINC000511635221 795275543 /nfs/dbraw/zinc/27/55/43/795275543.db2.gz FBWRCMILNGFTCM-DZGCQCFKSA-N 1 1 356.430 2.102 20 5 FEBDMO COc1ccc(C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000021056839 539679585 /nfs/dbraw/zinc/67/95/85/539679585.db2.gz YRFPQSFWSNSNHZ-STQMWFEESA-N 1 1 365.430 2.221 20 5 FEBDMO COc1ccccc1[C@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000023077628 539705169 /nfs/dbraw/zinc/70/51/69/539705169.db2.gz MFROMGULISOUJT-KRWDZBQOSA-N 1 1 373.409 2.401 20 5 FEBDMO O=C(CC[NH+]1CCN(c2nccs2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000026342338 539783742 /nfs/dbraw/zinc/78/37/42/539783742.db2.gz SSRUAOMNUPVLLT-UHFFFAOYSA-N 1 1 361.427 2.202 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2CNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000076268245 542252608 /nfs/dbraw/zinc/25/26/08/542252608.db2.gz JZBPKCJWWLWWCH-BETUJISGSA-N 1 1 372.429 2.188 20 5 FEBDMO CCN1CC[NH+](Cc2ccccc2CNc2c([N+](=O)[O-])ncn2C)CC1 ZINC000041621005 540027843 /nfs/dbraw/zinc/02/78/43/540027843.db2.gz XDKFISGQYVVMFE-UHFFFAOYSA-N 1 1 358.446 2.078 20 5 FEBDMO O=C(NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000046062928 540241094 /nfs/dbraw/zinc/24/10/94/540241094.db2.gz INBACOYWFPSHPI-GOSISDBHSA-N 1 1 370.409 2.136 20 5 FEBDMO CN1CC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](c2ccccc2)C1 ZINC000046388280 540255037 /nfs/dbraw/zinc/25/50/37/540255037.db2.gz SQVMEFPRBPMWNU-SFHVURJKSA-N 1 1 371.441 2.032 20 5 FEBDMO C[N@@H+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](c2ccccc2)C1 ZINC000046388280 540255040 /nfs/dbraw/zinc/25/50/40/540255040.db2.gz SQVMEFPRBPMWNU-SFHVURJKSA-N 1 1 371.441 2.032 20 5 FEBDMO C[N@H+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@H](c2ccccc2)C1 ZINC000046388280 540255042 /nfs/dbraw/zinc/25/50/42/540255042.db2.gz SQVMEFPRBPMWNU-SFHVURJKSA-N 1 1 371.441 2.032 20 5 FEBDMO Nc1c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(F)cc1[N+](=O)[O-] ZINC000048245622 540353679 /nfs/dbraw/zinc/35/36/79/540353679.db2.gz FIRJQLURAVKHFI-CQSZACIVSA-N 1 1 358.373 2.320 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000052954618 540502055 /nfs/dbraw/zinc/50/20/55/540502055.db2.gz CJRTUHNKCSVJLG-HNNXBMFYSA-N 1 1 357.414 2.209 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000053358746 540528995 /nfs/dbraw/zinc/52/89/95/540528995.db2.gz OSQGCRHBEXQINS-HNNXBMFYSA-N 1 1 371.441 2.340 20 5 FEBDMO COC(=O)c1ccnc(N2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000055058141 540624407 /nfs/dbraw/zinc/62/44/07/540624407.db2.gz DPKFRAKFAGILLT-UHFFFAOYSA-N 1 1 370.409 2.489 20 5 FEBDMO COC(=O)c1ccnc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000055083555 540626426 /nfs/dbraw/zinc/62/64/26/540626426.db2.gz ARPWIPBVGSWIQM-UHFFFAOYSA-N 1 1 370.409 2.489 20 5 FEBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000065780124 541260882 /nfs/dbraw/zinc/26/08/82/541260882.db2.gz VERRYPRMORRJRX-UHFFFAOYSA-N 1 1 371.441 2.224 20 5 FEBDMO CC(C)[N@@H+](CCn1nc2ccccn2c1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000066434472 541317656 /nfs/dbraw/zinc/31/76/56/541317656.db2.gz BURGUIDBTOMTSI-UHFFFAOYSA-N 1 1 355.398 2.315 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000067105515 541418685 /nfs/dbraw/zinc/41/86/85/541418685.db2.gz SEWZPXSVDRFQIO-ZDUSSCGKSA-N 1 1 363.414 2.360 20 5 FEBDMO COc1cc(OCC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000068861432 541634816 /nfs/dbraw/zinc/63/48/16/541634816.db2.gz KALDQPUGGRSXPR-KBPBESRZSA-N 1 1 365.430 2.219 20 5 FEBDMO COc1cc(OCC(=O)NCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000069125889 541661244 /nfs/dbraw/zinc/66/12/44/541661244.db2.gz XNPXGZMTZLMSMN-CQSZACIVSA-N 1 1 365.430 2.363 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000074318422 542068696 /nfs/dbraw/zinc/06/86/96/542068696.db2.gz NNYOXVOIDDXBLN-ZDUSSCGKSA-N 1 1 357.414 2.275 20 5 FEBDMO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000074318422 542068702 /nfs/dbraw/zinc/06/87/02/542068702.db2.gz NNYOXVOIDDXBLN-ZDUSSCGKSA-N 1 1 357.414 2.275 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000074318422 542068706 /nfs/dbraw/zinc/06/87/06/542068706.db2.gz NNYOXVOIDDXBLN-ZDUSSCGKSA-N 1 1 357.414 2.275 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000075108470 542152843 /nfs/dbraw/zinc/15/28/43/542152843.db2.gz TVSZFPCLUYRBSU-LZLYRXPVSA-N 1 1 358.442 2.263 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000075924263 542215692 /nfs/dbraw/zinc/21/56/92/542215692.db2.gz BQJYOAWZSXPVAQ-OLZOCXBDSA-N 1 1 371.459 2.145 20 5 FEBDMO O=C(C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1)N1CCCC1 ZINC000076048502 542226872 /nfs/dbraw/zinc/22/68/72/542226872.db2.gz CAKTZCSRWSERSN-GOSISDBHSA-N 1 1 361.442 2.241 20 5 FEBDMO O=C(C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1)N1CCCC1 ZINC000076048502 542226875 /nfs/dbraw/zinc/22/68/75/542226875.db2.gz CAKTZCSRWSERSN-GOSISDBHSA-N 1 1 361.442 2.241 20 5 FEBDMO CC(=O)NCC[N@@H+](Cc1ccsc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801558943 674135292 /nfs/dbraw/zinc/13/52/92/674135292.db2.gz ZDXJVSMUSMFZHV-KRWDZBQOSA-N 1 1 363.439 2.328 20 5 FEBDMO CC(=O)NCC[N@H+](Cc1ccsc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000801558943 674135296 /nfs/dbraw/zinc/13/52/96/674135296.db2.gz ZDXJVSMUSMFZHV-KRWDZBQOSA-N 1 1 363.439 2.328 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000076659894 542308137 /nfs/dbraw/zinc/30/81/37/542308137.db2.gz PLXWMHUAXDYMBM-CQSZACIVSA-N 1 1 362.430 2.032 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N)CCC(F)(F)F ZINC000801964602 674157352 /nfs/dbraw/zinc/15/73/52/674157352.db2.gz WIIHPKTURXNIST-UHFFFAOYSA-N 1 1 366.315 2.320 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000247419287 549331768 /nfs/dbraw/zinc/33/17/68/549331768.db2.gz NUTRKTIXJRMTJV-LRDDRELGSA-N 1 1 363.443 2.052 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000081364187 542651196 /nfs/dbraw/zinc/65/11/96/542651196.db2.gz HNCIQTHVRJTDLN-ZDUSSCGKSA-N 1 1 353.394 2.303 20 5 FEBDMO COC(=O)CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCO1 ZINC000083174155 542692654 /nfs/dbraw/zinc/69/26/54/542692654.db2.gz OLCNBVFBAHSNPA-ZDUSSCGKSA-N 1 1 363.370 2.280 20 5 FEBDMO COC(=O)CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCO1 ZINC000083174155 542692656 /nfs/dbraw/zinc/69/26/56/542692656.db2.gz OLCNBVFBAHSNPA-ZDUSSCGKSA-N 1 1 363.370 2.280 20 5 FEBDMO C[N@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000087315653 542744928 /nfs/dbraw/zinc/74/49/28/542744928.db2.gz CCHSZMLAYRXPMU-LLVKDONJSA-N 1 1 356.220 2.110 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCOCC2CC2)c([N+](=O)[O-])c1 ZINC000088600728 542754486 /nfs/dbraw/zinc/75/44/86/542754486.db2.gz VDJNBLUWNGUGGX-UHFFFAOYSA-N 1 1 351.403 2.290 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(OC)c(OC)c1 ZINC000090511628 542785591 /nfs/dbraw/zinc/78/55/91/542785591.db2.gz UYBYYOFWDXFCGT-UHFFFAOYSA-N 1 1 361.398 2.296 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089963366 542779865 /nfs/dbraw/zinc/77/98/65/542779865.db2.gz WDJPRCKQLRMRLC-ROUUACIJSA-N 1 1 369.421 2.268 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092763846 542885682 /nfs/dbraw/zinc/88/56/82/542885682.db2.gz MCHIHOGFBFKXJQ-JTQLQIEISA-N 1 1 364.320 2.359 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](CO)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000092763846 542885685 /nfs/dbraw/zinc/88/56/85/542885685.db2.gz MCHIHOGFBFKXJQ-JTQLQIEISA-N 1 1 364.320 2.359 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000093003720 542901509 /nfs/dbraw/zinc/90/15/09/542901509.db2.gz LMPUSUOJQDWCCK-LBPRGKRZSA-N 1 1 359.423 2.005 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093808449 542941741 /nfs/dbraw/zinc/94/17/41/542941741.db2.gz ITRVUINKZOTQKS-CYBMUJFWSA-N 1 1 357.414 2.083 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C1 ZINC000103206334 543097155 /nfs/dbraw/zinc/09/71/55/543097155.db2.gz GIWHGFLHTKPOGG-LLVKDONJSA-N 1 1 353.444 2.397 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000103285320 543101106 /nfs/dbraw/zinc/10/11/06/543101106.db2.gz SVVBULWKLPMHLG-NXEZZACHSA-N 1 1 373.356 2.291 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)Cc1cnn(C)c1 ZINC000103474452 543109471 /nfs/dbraw/zinc/10/94/71/543109471.db2.gz KLRHLFYMPZELCP-UHFFFAOYSA-N 1 1 361.402 2.188 20 5 FEBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCCCNC1=O ZINC000105611311 543178255 /nfs/dbraw/zinc/17/82/55/543178255.db2.gz JCKDFWLFLQOGHR-HNNXBMFYSA-N 1 1 358.398 2.393 20 5 FEBDMO COC(=O)/C=C/c1ccc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000106369748 543226323 /nfs/dbraw/zinc/22/63/23/543226323.db2.gz XXLCABNVSPMQDJ-NKPGBKMFSA-N 1 1 361.398 2.056 20 5 FEBDMO COC(=O)/C=C/c1ccc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c([N+](=O)[O-])c1 ZINC000106369748 543226325 /nfs/dbraw/zinc/22/63/25/543226325.db2.gz XXLCABNVSPMQDJ-NKPGBKMFSA-N 1 1 361.398 2.056 20 5 FEBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000110428446 543357295 /nfs/dbraw/zinc/35/72/95/543357295.db2.gz YHNUUSRIHRIVTF-SFHVURJKSA-N 1 1 367.409 2.346 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCN(C)CC1 ZINC000112560663 543452400 /nfs/dbraw/zinc/45/24/00/543452400.db2.gz JPNXHYNLYWPALP-MRXNPFEDSA-N 1 1 368.865 2.250 20 5 FEBDMO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CCC[N@H+](C2CC2)CC1 ZINC000116194645 543603609 /nfs/dbraw/zinc/60/36/09/543603609.db2.gz RHNMFKZVBNZJPW-UHFFFAOYSA-N 1 1 355.398 2.091 20 5 FEBDMO CCCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000124328663 543814378 /nfs/dbraw/zinc/81/43/78/543814378.db2.gz QZHYAGRBVHBCOE-ZDUSSCGKSA-N 1 1 351.451 2.368 20 5 FEBDMO Cc1sc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000124744541 543840513 /nfs/dbraw/zinc/84/05/13/543840513.db2.gz CASLOPHNDFBEQM-LBPRGKRZSA-N 1 1 361.489 2.460 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cccc1[N+](=O)[O-] ZINC000124970764 543853727 /nfs/dbraw/zinc/85/37/27/543853727.db2.gz RSWQSHBHSFXZIP-PBHICJAKSA-N 1 1 374.441 2.222 20 5 FEBDMO Cc1c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000127255986 543981101 /nfs/dbraw/zinc/98/11/01/543981101.db2.gz ZSHGSXJPLZDGAQ-AOOOYVTPSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000127255986 543981102 /nfs/dbraw/zinc/98/11/02/543981102.db2.gz ZSHGSXJPLZDGAQ-AOOOYVTPSA-N 1 1 350.375 2.284 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000127556331 544000101 /nfs/dbraw/zinc/00/01/01/544000101.db2.gz IMQPCLYFNVQWPZ-UHFFFAOYSA-N 1 1 350.419 2.398 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129077099 544089615 /nfs/dbraw/zinc/08/96/15/544089615.db2.gz RRAJWBLCTLMCBJ-OCCSQVGLSA-N 1 1 371.434 2.147 20 5 FEBDMO Cc1cccn2cc(Cn3nc(-c4ccc([N+](=O)[O-])cc4)oc3=O)[nH+]c12 ZINC000130532966 544154659 /nfs/dbraw/zinc/15/46/59/544154659.db2.gz ZLPIXOGOJAQROR-UHFFFAOYSA-N 1 1 351.322 2.416 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000131674100 544201441 /nfs/dbraw/zinc/20/14/41/544201441.db2.gz KRRSYJIEYVCJAB-CYBMUJFWSA-N 1 1 355.822 2.215 20 5 FEBDMO Nc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000133850065 544285795 /nfs/dbraw/zinc/28/57/95/544285795.db2.gz LJXLLOPJESZYCY-HOTGVXAUSA-N 1 1 368.441 2.458 20 5 FEBDMO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452704 544347403 /nfs/dbraw/zinc/34/74/03/544347403.db2.gz GOCCZKMUQRWVGK-CVEARBPZSA-N 1 1 358.398 2.070 20 5 FEBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000135565244 544353395 /nfs/dbraw/zinc/35/33/95/544353395.db2.gz FPNARGLNIMPHRW-YOEHRIQHSA-N 1 1 360.414 2.077 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000150791766 544472547 /nfs/dbraw/zinc/47/25/47/544472547.db2.gz PCIOPJQWRDBUGC-OLZOCXBDSA-N 1 1 371.459 2.002 20 5 FEBDMO CC1(C)NC(=O)N(CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1=O ZINC000153246559 544751622 /nfs/dbraw/zinc/75/16/22/544751622.db2.gz VVXDAOBDSAKVJX-UHFFFAOYSA-N 1 1 360.414 2.280 20 5 FEBDMO Cc1c(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000153561414 544791024 /nfs/dbraw/zinc/79/10/24/544791024.db2.gz LROMDNLDZHVBRB-GFCCVEGCSA-N 1 1 350.375 2.286 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])c1F ZINC000154319441 544890389 /nfs/dbraw/zinc/89/03/89/544890389.db2.gz RUSJSGHWRONSGN-TZMCWYRMSA-N 1 1 371.434 2.147 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000154391005 544899485 /nfs/dbraw/zinc/89/94/85/544899485.db2.gz WKRBFFZYTBUODL-LJQANCHMSA-N 1 1 363.458 2.205 20 5 FEBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000553547769 674269849 /nfs/dbraw/zinc/26/98/49/674269849.db2.gz LHCQQXXJURZTKN-CQSZACIVSA-N 1 1 367.402 2.315 20 5 FEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)[C@@H](CC)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000184885944 327887435 /nfs/dbraw/zinc/88/74/35/327887435.db2.gz OEMGUYREQASWQP-DLBZAZTESA-N 1 1 363.458 2.079 20 5 FEBDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000185500792 327919546 /nfs/dbraw/zinc/91/95/46/327919546.db2.gz IMGYQYAQFVFBKX-AWEZNQCLSA-N 1 1 362.455 2.197 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(Cn4cncn4)CC3)n2)c1 ZINC000186246888 327953808 /nfs/dbraw/zinc/95/38/08/327953808.db2.gz JRGPPIBHJHAHRD-UHFFFAOYSA-N 1 1 369.385 2.149 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCC(O)(c3c(F)cccc3F)CC2)n1 ZINC000186494105 327964701 /nfs/dbraw/zinc/96/47/01/327964701.db2.gz LJVWDJMQKREPGH-UHFFFAOYSA-N 1 1 352.341 2.053 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000187171097 328006521 /nfs/dbraw/zinc/00/65/21/328006521.db2.gz VHOWZTDTZHVFDN-BBRMVZONSA-N 1 1 370.409 2.478 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000188851899 328114226 /nfs/dbraw/zinc/11/42/26/328114226.db2.gz BMNYDANXBJNRDY-ZDUSSCGKSA-N 1 1 350.419 2.212 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189200580 328134371 /nfs/dbraw/zinc/13/43/71/328134371.db2.gz GVYCBJKFNLBFEH-ZDUSSCGKSA-N 1 1 373.413 2.209 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000189555333 328154832 /nfs/dbraw/zinc/15/48/32/328154832.db2.gz FNHIQTJUGRLFMN-HUUCEWRRSA-N 1 1 351.447 2.269 20 5 FEBDMO CC[C@](C)(O)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000189717644 328163994 /nfs/dbraw/zinc/16/39/94/328163994.db2.gz KUZYVNCNVQLLRH-IBGZPJMESA-N 1 1 359.426 2.420 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000190007634 328181935 /nfs/dbraw/zinc/18/19/35/328181935.db2.gz QPRGCFQFURTXBC-ZIAGYGMSSA-N 1 1 355.460 2.315 20 5 FEBDMO [NH3+]CC(F)(F)CNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000190254876 328196814 /nfs/dbraw/zinc/19/68/14/328196814.db2.gz MFTVLZQXZZMTCX-UHFFFAOYSA-N 1 1 370.278 2.126 20 5 FEBDMO CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000190878329 328237823 /nfs/dbraw/zinc/23/78/23/328237823.db2.gz FIQKQZWJLTUULB-CQSZACIVSA-N 1 1 370.475 2.081 20 5 FEBDMO CCS(=O)(=O)CCCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000190878329 328237824 /nfs/dbraw/zinc/23/78/24/328237824.db2.gz FIQKQZWJLTUULB-CQSZACIVSA-N 1 1 370.475 2.081 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191793732 328282271 /nfs/dbraw/zinc/28/22/71/328282271.db2.gz XJPVCBQBWBJAOX-OCCSQVGLSA-N 1 1 363.414 2.363 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000192026619 328294937 /nfs/dbraw/zinc/29/49/37/328294937.db2.gz LOLPZEYFOTZHMY-CHWSQXEVSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000192026619 328294939 /nfs/dbraw/zinc/29/49/39/328294939.db2.gz LOLPZEYFOTZHMY-CHWSQXEVSA-N 1 1 353.444 2.115 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])o1 ZINC000192221189 328307533 /nfs/dbraw/zinc/30/75/33/328307533.db2.gz LAXDACLCWWFLKQ-HNNXBMFYSA-N 1 1 359.382 2.209 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193583491 328383649 /nfs/dbraw/zinc/38/36/49/328383649.db2.gz DIMFEYNWFSOPRS-KBPBESRZSA-N 1 1 362.430 2.422 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193586476 328383802 /nfs/dbraw/zinc/38/38/02/328383802.db2.gz QDXMEOPLHIOVHB-HNNXBMFYSA-N 1 1 356.382 2.090 20 5 FEBDMO C[C@@H](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000193663604 328388438 /nfs/dbraw/zinc/38/84/38/328388438.db2.gz KKLOFFMZIYNRHA-ZDUSSCGKSA-N 1 1 358.398 2.336 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000193719440 328391413 /nfs/dbraw/zinc/39/14/13/328391413.db2.gz SYOMWDQRJFGWPE-UHFFFAOYSA-N 1 1 357.414 2.487 20 5 FEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078087283 325030915 /nfs/dbraw/zinc/03/09/15/325030915.db2.gz NKUFRBMKJMDRCI-SFHVURJKSA-N 1 1 355.394 2.112 20 5 FEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078087283 325030921 /nfs/dbraw/zinc/03/09/21/325030921.db2.gz NKUFRBMKJMDRCI-SFHVURJKSA-N 1 1 355.394 2.112 20 5 FEBDMO CCOC(=O)c1ccnc(N(C)CC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000078455423 325046443 /nfs/dbraw/zinc/04/64/43/325046443.db2.gz GHNYAMCGBPICET-ZDUSSCGKSA-N 1 1 350.419 2.477 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(c2nccc(C(=O)OCC)c2[N+](=O)[O-])C1 ZINC000078562979 325051985 /nfs/dbraw/zinc/05/19/85/325051985.db2.gz PYMDLJCPDSKZJQ-CYBMUJFWSA-N 1 1 350.419 2.335 20 5 FEBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000081033753 325155532 /nfs/dbraw/zinc/15/55/32/325155532.db2.gz WDCCVWPROJRJEL-UHFFFAOYSA-N 1 1 353.806 2.185 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000087332846 325279878 /nfs/dbraw/zinc/27/98/78/325279878.db2.gz AARNRLZHYXUPLD-HNNXBMFYSA-N 1 1 361.442 2.239 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)co2)cc1 ZINC000089905658 325341357 /nfs/dbraw/zinc/34/13/57/325341357.db2.gz VCQOBTDHGCNRPO-HNNXBMFYSA-N 1 1 372.425 2.404 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)co2)cc1 ZINC000089905658 325341359 /nfs/dbraw/zinc/34/13/59/325341359.db2.gz VCQOBTDHGCNRPO-HNNXBMFYSA-N 1 1 372.425 2.404 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000090551951 325362790 /nfs/dbraw/zinc/36/27/90/325362790.db2.gz MZCNJYPBOIQTSW-DZGCQCFKSA-N 1 1 363.439 2.406 20 5 FEBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCCC1=CCCCC1 ZINC000118866545 326109764 /nfs/dbraw/zinc/10/97/64/326109764.db2.gz KTVQADGLRFKKHE-INIZCTEOSA-N 1 1 373.457 2.483 20 5 FEBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)NCCC1=CCCCC1 ZINC000118866545 326109766 /nfs/dbraw/zinc/10/97/66/326109766.db2.gz KTVQADGLRFKKHE-INIZCTEOSA-N 1 1 373.457 2.483 20 5 FEBDMO Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866589 326110194 /nfs/dbraw/zinc/11/01/94/326110194.db2.gz LLXOLMYWQPEBOY-INIZCTEOSA-N 1 1 369.425 2.101 20 5 FEBDMO Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866589 326110198 /nfs/dbraw/zinc/11/01/98/326110198.db2.gz LLXOLMYWQPEBOY-INIZCTEOSA-N 1 1 369.425 2.101 20 5 FEBDMO C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000119641660 326183558 /nfs/dbraw/zinc/18/35/58/326183558.db2.gz ORNMBVSVQUERMR-AWEZNQCLSA-N 1 1 358.398 2.128 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000119929362 326213099 /nfs/dbraw/zinc/21/30/99/326213099.db2.gz KCWWQAMFOSUSJU-QGTPRVQTSA-N 1 1 359.426 2.229 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120381230 326254195 /nfs/dbraw/zinc/25/41/95/326254195.db2.gz FUYIDDVCXORCQY-QGTPRVQTSA-N 1 1 359.426 2.229 20 5 FEBDMO Cc1c(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000122197148 326387440 /nfs/dbraw/zinc/38/74/40/326387440.db2.gz LEUSPHOKADKZDG-KRWDZBQOSA-N 1 1 361.442 2.159 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000122367632 326394127 /nfs/dbraw/zinc/39/41/27/326394127.db2.gz KHYTWMHOSQBGKA-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)COc3ccccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000157948071 326880181 /nfs/dbraw/zinc/88/01/81/326880181.db2.gz RMGRQZVSGWCOBV-UHFFFAOYSA-N 1 1 370.409 2.462 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000162723768 327032973 /nfs/dbraw/zinc/03/29/73/327032973.db2.gz JOESIMHDLACJPM-DZGCQCFKSA-N 1 1 357.414 2.443 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000163508146 327053353 /nfs/dbraw/zinc/05/33/53/327053353.db2.gz BGMOSKLGVOQJBX-UHFFFAOYSA-N 1 1 364.431 2.413 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000170962849 327110120 /nfs/dbraw/zinc/11/01/20/327110120.db2.gz SBMRWYSHDTUPTH-KRWDZBQOSA-N 1 1 361.446 2.229 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171025903 327113245 /nfs/dbraw/zinc/11/32/45/327113245.db2.gz PAFVCTQOMOBELG-VNHYZAJKSA-N 1 1 362.430 2.012 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171025903 327113246 /nfs/dbraw/zinc/11/32/46/327113246.db2.gz PAFVCTQOMOBELG-VNHYZAJKSA-N 1 1 362.430 2.012 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172717765 327215179 /nfs/dbraw/zinc/21/51/79/327215179.db2.gz LIQBAEWZJUGBPR-IBGZPJMESA-N 1 1 369.421 2.454 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172717765 327215180 /nfs/dbraw/zinc/21/51/80/327215180.db2.gz LIQBAEWZJUGBPR-IBGZPJMESA-N 1 1 369.421 2.454 20 5 FEBDMO C[NH+]1CCC(CNC(=O)c2csc([N+](=O)[O-])c2)(N2CCCCC2)CC1 ZINC000172753909 327217235 /nfs/dbraw/zinc/21/72/35/327217235.db2.gz WTVQBSOGJXNHHL-UHFFFAOYSA-N 1 1 366.487 2.336 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000172843153 327222003 /nfs/dbraw/zinc/22/20/03/327222003.db2.gz RFDKMDLTAREFMS-ZDUSSCGKSA-N 1 1 350.375 2.449 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173247298 327243951 /nfs/dbraw/zinc/24/39/51/327243951.db2.gz WUCDAOJAAKNXIH-PWSUYJOCSA-N 1 1 361.851 2.209 20 5 FEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000173842138 327288257 /nfs/dbraw/zinc/28/82/57/327288257.db2.gz RYDZKGCZXKGRLQ-UONOGXRCSA-N 1 1 353.444 2.231 20 5 FEBDMO COCCOC[C@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000174114091 327307014 /nfs/dbraw/zinc/30/70/14/327307014.db2.gz HKQCCLAJJLZGQG-ZDUSSCGKSA-N 1 1 362.386 2.130 20 5 FEBDMO CSc1ccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000174195409 327312138 /nfs/dbraw/zinc/31/21/38/327312138.db2.gz ZTHPGPJSMCWQBX-CYBMUJFWSA-N 1 1 365.455 2.111 20 5 FEBDMO CCc1ccc(C(=O)NCCCCN2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000174229702 327314380 /nfs/dbraw/zinc/31/43/80/327314380.db2.gz CBPYKRMYKKLUOF-UHFFFAOYSA-N 1 1 362.474 2.305 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000174738265 327347555 /nfs/dbraw/zinc/34/75/55/327347555.db2.gz GZEDRUVYEUUTOV-OAHLLOKOSA-N 1 1 352.341 2.095 20 5 FEBDMO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccccc1OC ZINC000174809143 327352680 /nfs/dbraw/zinc/35/26/80/327352680.db2.gz RRRLRXAVWONYFO-UHFFFAOYSA-N 1 1 361.402 2.151 20 5 FEBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1ccccc1OC ZINC000174809143 327352682 /nfs/dbraw/zinc/35/26/82/327352682.db2.gz RRRLRXAVWONYFO-UHFFFAOYSA-N 1 1 361.402 2.151 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000175108721 327374626 /nfs/dbraw/zinc/37/46/26/327374626.db2.gz UJTDANFWMMKIQM-UHFFFAOYSA-N 1 1 357.370 2.051 20 5 FEBDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000175281393 327384341 /nfs/dbraw/zinc/38/43/41/327384341.db2.gz MZZFGEMKEWTIPU-KRWDZBQOSA-N 1 1 371.441 2.162 20 5 FEBDMO C[N@@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000175312681 327386486 /nfs/dbraw/zinc/38/64/86/327386486.db2.gz HBZAPDJMYPSYJA-UHFFFAOYSA-N 1 1 353.444 2.234 20 5 FEBDMO C[N@H+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000175312681 327386487 /nfs/dbraw/zinc/38/64/87/327386487.db2.gz HBZAPDJMYPSYJA-UHFFFAOYSA-N 1 1 353.444 2.234 20 5 FEBDMO CC(C)[N@@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264649210 329044342 /nfs/dbraw/zinc/04/43/42/329044342.db2.gz HZHOVQZIQAKURB-SNVBAGLBSA-N 1 1 363.386 2.486 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000264649210 329044344 /nfs/dbraw/zinc/04/43/44/329044344.db2.gz HZHOVQZIQAKURB-SNVBAGLBSA-N 1 1 363.386 2.486 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000264669729 329046521 /nfs/dbraw/zinc/04/65/21/329046521.db2.gz WEUODESJLXXCHV-AWEZNQCLSA-N 1 1 358.442 2.409 20 5 FEBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264696012 329049951 /nfs/dbraw/zinc/04/99/51/329049951.db2.gz GGJANDBJWQRVSJ-LLVKDONJSA-N 1 1 366.418 2.039 20 5 FEBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264696012 329049953 /nfs/dbraw/zinc/04/99/53/329049953.db2.gz GGJANDBJWQRVSJ-LLVKDONJSA-N 1 1 366.418 2.039 20 5 FEBDMO C[C@@H](c1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1)[NH+]1CCOCC1 ZINC000264731797 329054233 /nfs/dbraw/zinc/05/42/33/329054233.db2.gz ZORTYTCNYMIRKG-AWEZNQCLSA-N 1 1 373.413 2.213 20 5 FEBDMO CC1(C)COCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000266405772 329219499 /nfs/dbraw/zinc/21/94/99/329219499.db2.gz PZZGMMIBOPPDNS-UHFFFAOYSA-N 1 1 364.402 2.074 20 5 FEBDMO CC1(C)COCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1N1CCOC1=O ZINC000266405772 329219500 /nfs/dbraw/zinc/21/95/00/329219500.db2.gz PZZGMMIBOPPDNS-UHFFFAOYSA-N 1 1 364.402 2.074 20 5 FEBDMO Cc1n[nH]c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000266427906 329221840 /nfs/dbraw/zinc/22/18/40/329221840.db2.gz RMRYGICSMONKMU-OAHLLOKOSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000266427906 329221842 /nfs/dbraw/zinc/22/18/42/329221842.db2.gz RMRYGICSMONKMU-OAHLLOKOSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000266427906 329221843 /nfs/dbraw/zinc/22/18/43/329221843.db2.gz RMRYGICSMONKMU-OAHLLOKOSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266810660 329261885 /nfs/dbraw/zinc/26/18/85/329261885.db2.gz KBPZIWFURSATPL-UHFFFAOYSA-N 1 1 373.413 2.353 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000268101543 329385387 /nfs/dbraw/zinc/38/53/87/329385387.db2.gz IAFJMDTWOYNFCI-OAHLLOKOSA-N 1 1 364.446 2.381 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268129087 329388151 /nfs/dbraw/zinc/38/81/51/329388151.db2.gz SJPBMLQGWUSALW-UHFFFAOYSA-N 1 1 358.851 2.096 20 5 FEBDMO COc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000268160128 329391972 /nfs/dbraw/zinc/39/19/72/329391972.db2.gz VKCRFPAIPCAGRV-AAEUAGOBSA-N 1 1 351.403 2.071 20 5 FEBDMO COc1cccc([C@@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000269159357 329491586 /nfs/dbraw/zinc/49/15/86/329491586.db2.gz WWERVPMQZCDGJU-QGZVFWFLSA-N 1 1 359.382 2.342 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000272289781 329767054 /nfs/dbraw/zinc/76/70/54/329767054.db2.gz HBDRPMGTJHNNOF-CQSZACIVSA-N 1 1 369.425 2.280 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061803 330212449 /nfs/dbraw/zinc/21/24/49/330212449.db2.gz YMBRSQDCEZAVAV-ROUUACIJSA-N 1 1 374.441 2.132 20 5 FEBDMO Cn1cc([C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000377929942 330252346 /nfs/dbraw/zinc/25/23/46/330252346.db2.gz BBCVCFHXFMVRBD-GOEBONIOSA-N 1 1 369.425 2.133 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000157174565 545708434 /nfs/dbraw/zinc/70/84/34/545708434.db2.gz YZAIBVLZUWKHJF-KDOFPFPSSA-N 1 1 369.425 2.337 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000157174398 545708503 /nfs/dbraw/zinc/70/85/03/545708503.db2.gz YZAIBVLZUWKHJF-RDTXWAMCSA-N 1 1 369.425 2.337 20 5 FEBDMO Cc1cnc(CC[N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000157466534 545745109 /nfs/dbraw/zinc/74/51/09/545745109.db2.gz FVESHCVVZYNPGT-UHFFFAOYSA-N 1 1 360.439 2.423 20 5 FEBDMO Cc1cnc(CC[N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)s1 ZINC000157466534 545745112 /nfs/dbraw/zinc/74/51/12/545745112.db2.gz FVESHCVVZYNPGT-UHFFFAOYSA-N 1 1 360.439 2.423 20 5 FEBDMO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000157997264 545810117 /nfs/dbraw/zinc/81/01/17/545810117.db2.gz QSIDFMKYAXYBNQ-OAHLLOKOSA-N 1 1 363.805 2.182 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000157997264 545810122 /nfs/dbraw/zinc/81/01/22/545810122.db2.gz QSIDFMKYAXYBNQ-OAHLLOKOSA-N 1 1 363.805 2.182 20 5 FEBDMO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000478037952 561158812 /nfs/dbraw/zinc/15/88/12/561158812.db2.gz TYKOTBLZTQTSPZ-QGZVFWFLSA-N 1 1 358.377 2.385 20 5 FEBDMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)cn1 ZINC000478037952 561158813 /nfs/dbraw/zinc/15/88/13/561158813.db2.gz TYKOTBLZTQTSPZ-QGZVFWFLSA-N 1 1 358.377 2.385 20 5 FEBDMO Cc1c(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000478374299 561165228 /nfs/dbraw/zinc/16/52/28/561165228.db2.gz ADGPETINSSXSDU-OKILXGFUSA-N 1 1 364.446 2.202 20 5 FEBDMO COc1ccc([C@H]2[C@H](CNC(=O)c3[nH]ncc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000159797802 545981208 /nfs/dbraw/zinc/98/12/08/545981208.db2.gz AGFQXKIVIJOOPJ-GUYCJALGSA-N 1 1 373.413 2.139 20 5 FEBDMO COc1ccc([C@H]2[C@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCC[N@@H+]2C)cc1 ZINC000159797802 545981212 /nfs/dbraw/zinc/98/12/12/545981212.db2.gz AGFQXKIVIJOOPJ-GUYCJALGSA-N 1 1 373.413 2.139 20 5 FEBDMO COc1ccc([C@H]2[C@H](CNC(=O)c3n[nH]cc3[N+](=O)[O-])CCC[N@H+]2C)cc1 ZINC000159797802 545981215 /nfs/dbraw/zinc/98/12/15/545981215.db2.gz AGFQXKIVIJOOPJ-GUYCJALGSA-N 1 1 373.413 2.139 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000160242027 546021046 /nfs/dbraw/zinc/02/10/46/546021046.db2.gz LDXXHOBATSCCNY-WBMJQRKESA-N 1 1 355.398 2.021 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000160417115 546038289 /nfs/dbraw/zinc/03/82/89/546038289.db2.gz PUMSGLRYNSFRCE-VXGBXAGGSA-N 1 1 353.394 2.352 20 5 FEBDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174657613 546301656 /nfs/dbraw/zinc/30/16/56/546301656.db2.gz ZCZIUGPFQUGVAZ-AWEZNQCLSA-N 1 1 358.320 2.303 20 5 FEBDMO COc1cccc(C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]2CCCO2)c1 ZINC000176218150 546420773 /nfs/dbraw/zinc/42/07/73/546420773.db2.gz JYYMHPSJGFURRC-QGZVFWFLSA-N 1 1 360.414 2.481 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000481608257 561237274 /nfs/dbraw/zinc/23/72/74/561237274.db2.gz DYFDPYWQICMQLC-ZDUSSCGKSA-N 1 1 362.430 2.078 20 5 FEBDMO COCCO[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000179350576 546936639 /nfs/dbraw/zinc/93/66/39/546936639.db2.gz BFMAKGWCGVQWCF-INIZCTEOSA-N 1 1 365.430 2.359 20 5 FEBDMO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[N@H+](C2CC2)CC1 ZINC000179726292 547004275 /nfs/dbraw/zinc/00/42/75/547004275.db2.gz CDFZMKRBDCWZBF-UHFFFAOYSA-N 1 1 355.398 2.091 20 5 FEBDMO CCCS(=O)(=O)NC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000180018880 547039492 /nfs/dbraw/zinc/03/94/92/547039492.db2.gz NFNKFXWRERHHOC-FNORWQNLSA-N 1 1 367.471 2.402 20 5 FEBDMO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000180917175 547208590 /nfs/dbraw/zinc/20/85/90/547208590.db2.gz UMQZUNZHQJSLPH-ZDUSSCGKSA-N 1 1 354.410 2.354 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000180922504 547209808 /nfs/dbraw/zinc/20/98/08/547209808.db2.gz OCXZLMFHEOWCFV-FRRDWIJNSA-N 1 1 363.414 2.420 20 5 FEBDMO O=C(C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000181065591 547242564 /nfs/dbraw/zinc/24/25/64/547242564.db2.gz VGDXATUWADTRJG-LJQANCHMSA-N 1 1 355.394 2.133 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000181404528 547309605 /nfs/dbraw/zinc/30/96/05/547309605.db2.gz QPTVGADVVYFRRM-GXTWGEPZSA-N 1 1 351.403 2.167 20 5 FEBDMO CNC(=O)C[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C)c1ccccc1 ZINC000483411182 561276405 /nfs/dbraw/zinc/27/64/05/561276405.db2.gz RFXNRQXTNGNYAX-KRWDZBQOSA-N 1 1 370.409 2.309 20 5 FEBDMO C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000182218258 547455673 /nfs/dbraw/zinc/45/56/73/547455673.db2.gz JUQJNNLSBQFNIE-VYDXJSESSA-N 1 1 360.414 2.114 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182681937 547533623 /nfs/dbraw/zinc/53/36/23/547533623.db2.gz QGBLDHADBDSANP-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCCCNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000183785344 547719488 /nfs/dbraw/zinc/71/94/88/547719488.db2.gz UZCJVMKWUPATGX-ZDUSSCGKSA-N 1 1 370.475 2.166 20 5 FEBDMO O=C(CC[N@H+]1CCOCC2(CCOCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000184089921 547767921 /nfs/dbraw/zinc/76/79/21/547767921.db2.gz AVKBUOLZKBXRPY-UHFFFAOYSA-N 1 1 363.414 2.052 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CCN1CC[NH+](C)CC1 ZINC000184353562 547812458 /nfs/dbraw/zinc/81/24/58/547812458.db2.gz LVMCPFIVXMSDCF-OAHLLOKOSA-N 1 1 362.474 2.276 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000184989371 547913232 /nfs/dbraw/zinc/91/32/32/547913232.db2.gz CVKMRBSTEDEHOT-LBPRGKRZSA-N 1 1 359.423 2.005 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179049 547946827 /nfs/dbraw/zinc/94/68/27/547946827.db2.gz NWKWMNUCDBMINL-OCCSQVGLSA-N 1 1 353.394 2.064 20 5 FEBDMO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000193936010 548409496 /nfs/dbraw/zinc/40/94/96/548409496.db2.gz AZECYVGQUQUWOV-LBPRGKRZSA-N 1 1 368.393 2.356 20 5 FEBDMO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000193936010 548409501 /nfs/dbraw/zinc/40/95/01/548409501.db2.gz AZECYVGQUQUWOV-LBPRGKRZSA-N 1 1 368.393 2.356 20 5 FEBDMO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000195650575 548655371 /nfs/dbraw/zinc/65/53/71/548655371.db2.gz ZHPORMUHSNDKGG-ZIAGYGMSSA-N 1 1 372.429 2.026 20 5 FEBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000245789693 548994775 /nfs/dbraw/zinc/99/47/75/548994775.db2.gz NNJIRRLODZIWLL-JKSUJKDBSA-N 1 1 369.425 2.445 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000488206647 561385991 /nfs/dbraw/zinc/38/59/91/561385991.db2.gz WRSMHRJPQUOIFA-LBPRGKRZSA-N 1 1 351.403 2.431 20 5 FEBDMO O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000245990235 549032850 /nfs/dbraw/zinc/03/28/50/549032850.db2.gz WTCBRGZCEIIFII-KBPBESRZSA-N 1 1 361.423 2.022 20 5 FEBDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000245990235 549032855 /nfs/dbraw/zinc/03/28/55/549032855.db2.gz WTCBRGZCEIIFII-KBPBESRZSA-N 1 1 361.423 2.022 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCSC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000488413263 561389532 /nfs/dbraw/zinc/38/95/32/561389532.db2.gz YVECJWCTVUKRLO-LBPRGKRZSA-N 1 1 354.428 2.332 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246269206 549092514 /nfs/dbraw/zinc/09/25/14/549092514.db2.gz UVJGBTBJCCHEMD-KBPBESRZSA-N 1 1 353.444 2.151 20 5 FEBDMO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000246748472 549202594 /nfs/dbraw/zinc/20/25/94/549202594.db2.gz ZRBQSYSJSDZYCU-HUUCEWRRSA-N 1 1 369.487 2.177 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000246776763 549210144 /nfs/dbraw/zinc/21/01/44/549210144.db2.gz PDGXVIRWSPBNAK-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1OC ZINC000247947621 549394554 /nfs/dbraw/zinc/39/45/54/549394554.db2.gz DRGMVYGFNQVMOF-TZMCWYRMSA-N 1 1 363.414 2.168 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000248053656 549404070 /nfs/dbraw/zinc/40/40/70/549404070.db2.gz OCIJFRWXAPFRQR-WBVHZDCISA-N 1 1 367.471 2.026 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248345198 549420390 /nfs/dbraw/zinc/42/03/90/549420390.db2.gz MMUHMOANZUSMDX-KBPBESRZSA-N 1 1 362.430 2.101 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248372460 549423866 /nfs/dbraw/zinc/42/38/66/549423866.db2.gz ZZGGNBJNVKALFN-UONOGXRCSA-N 1 1 355.460 2.315 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000248694573 549486505 /nfs/dbraw/zinc/48/65/05/549486505.db2.gz KKLIJYJPEJQYQQ-SCLBCKFNSA-N 1 1 369.425 2.212 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000249053533 549543561 /nfs/dbraw/zinc/54/35/61/549543561.db2.gz ONTCIAYCTFWWRS-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000252656437 549675647 /nfs/dbraw/zinc/67/56/47/549675647.db2.gz GJSCUXJNEYMIQI-JKSUJKDBSA-N 1 1 369.425 2.337 20 5 FEBDMO O=C([C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000255555409 549707255 /nfs/dbraw/zinc/70/72/55/549707255.db2.gz XXJNNFASJFUPRX-GPCFVJJQSA-N 1 1 359.426 2.179 20 5 FEBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000262090448 549788029 /nfs/dbraw/zinc/78/80/29/549788029.db2.gz YLMADJSHGYMHQE-QGZVFWFLSA-N 1 1 371.393 2.155 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000264187229 549989845 /nfs/dbraw/zinc/98/98/45/549989845.db2.gz BWEDSCDUDYBDGB-UHFFFAOYSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000264187229 549989848 /nfs/dbraw/zinc/98/98/48/549989848.db2.gz BWEDSCDUDYBDGB-UHFFFAOYSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000264187229 549989850 /nfs/dbraw/zinc/98/98/50/549989850.db2.gz BWEDSCDUDYBDGB-UHFFFAOYSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1[N+](=O)[O-] ZINC000264187229 549989854 /nfs/dbraw/zinc/98/98/54/549989854.db2.gz BWEDSCDUDYBDGB-UHFFFAOYSA-N 1 1 357.414 2.363 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000493537552 561456608 /nfs/dbraw/zinc/45/66/08/561456608.db2.gz WDELKDZAYUQQNC-CZUORRHYSA-N 1 1 370.409 2.074 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)[nH+]1 ZINC000493769546 561458031 /nfs/dbraw/zinc/45/80/31/561458031.db2.gz RZDXMOUOTLFHCC-UHFFFAOYSA-N 1 1 364.427 2.305 20 5 FEBDMO C[N@@H+]1CC=C(CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000271745398 550398981 /nfs/dbraw/zinc/39/89/81/550398981.db2.gz AQCRJYRRDCUFSR-UHFFFAOYSA-N 1 1 361.370 2.265 20 5 FEBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)CCn3cc([N+](=O)[O-])cn3)sc2C1 ZINC000273089023 550484567 /nfs/dbraw/zinc/48/45/67/550484567.db2.gz ZNNCEDFVZUEGMB-UHFFFAOYSA-N 1 1 364.431 2.043 20 5 FEBDMO CC(C)[N@H+]1CCc2nc(NC(=O)CCn3cc([N+](=O)[O-])cn3)sc2C1 ZINC000273089023 550484569 /nfs/dbraw/zinc/48/45/69/550484569.db2.gz ZNNCEDFVZUEGMB-UHFFFAOYSA-N 1 1 364.431 2.043 20 5 FEBDMO COCC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccco1 ZINC000273320086 550494398 /nfs/dbraw/zinc/49/43/98/550494398.db2.gz WRAMSPZHMRPCKS-HNNXBMFYSA-N 1 1 359.382 2.444 20 5 FEBDMO COC(=O)c1cc(NC(=O)NCCn2cc[nH+]c2C)c(C)c([N+](=O)[O-])c1 ZINC000277234262 550646057 /nfs/dbraw/zinc/64/60/57/550646057.db2.gz OLJAUZVCSHEAFT-UHFFFAOYSA-N 1 1 361.358 2.016 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CCCO1 ZINC000277753447 550710278 /nfs/dbraw/zinc/71/02/78/550710278.db2.gz YWKAPPDTIFQJIB-CYBMUJFWSA-N 1 1 360.414 2.307 20 5 FEBDMO C[C@@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000278345593 550775481 /nfs/dbraw/zinc/77/54/81/550775481.db2.gz JGZXYWRFMZHAEB-SNVBAGLBSA-N 1 1 362.352 2.290 20 5 FEBDMO COc1cc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000278605430 550803681 /nfs/dbraw/zinc/80/36/81/550803681.db2.gz IUVPAGHSBJFPJF-ZDUSSCGKSA-N 1 1 367.421 2.428 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000278621926 550805088 /nfs/dbraw/zinc/80/50/88/550805088.db2.gz GMQQYQKYKDSOIM-UHFFFAOYSA-N 1 1 366.418 2.178 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000278621926 550805089 /nfs/dbraw/zinc/80/50/89/550805089.db2.gz GMQQYQKYKDSOIM-UHFFFAOYSA-N 1 1 366.418 2.178 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279288145 550873808 /nfs/dbraw/zinc/87/38/08/550873808.db2.gz XTUQTIXODABFLO-ZDUSSCGKSA-N 1 1 358.373 2.320 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000280246428 550974206 /nfs/dbraw/zinc/97/42/06/550974206.db2.gz BGSMMIDVZRAQRN-KBXCAEBGSA-N 1 1 363.414 2.112 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CC1CCC1)[C@H](C)CO ZINC000280248434 550974288 /nfs/dbraw/zinc/97/42/88/550974288.db2.gz BHBADQDCKNEZES-CYBMUJFWSA-N 1 1 365.430 2.415 20 5 FEBDMO CO[C@]1(C)CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280503183 551001224 /nfs/dbraw/zinc/00/12/24/551001224.db2.gz NCOKQTJOVNJXBS-MRXNPFEDSA-N 1 1 356.444 2.260 20 5 FEBDMO CO[C@]1(C)CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000280503183 551001226 /nfs/dbraw/zinc/00/12/26/551001226.db2.gz NCOKQTJOVNJXBS-MRXNPFEDSA-N 1 1 356.444 2.260 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281214926 551074662 /nfs/dbraw/zinc/07/46/62/551074662.db2.gz SQXJDJOMDNMDCL-QLJPJBMISA-N 1 1 368.821 2.033 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281214926 551074663 /nfs/dbraw/zinc/07/46/63/551074663.db2.gz SQXJDJOMDNMDCL-QLJPJBMISA-N 1 1 368.821 2.033 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282356691 551216566 /nfs/dbraw/zinc/21/65/66/551216566.db2.gz CZZWFTNJESOFGA-ZDUSSCGKSA-N 1 1 370.409 2.195 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282356691 551216568 /nfs/dbraw/zinc/21/65/68/551216568.db2.gz CZZWFTNJESOFGA-ZDUSSCGKSA-N 1 1 370.409 2.195 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000282419564 551226024 /nfs/dbraw/zinc/22/60/24/551226024.db2.gz DQDSHKLSGNFEHY-UHFFFAOYSA-N 1 1 367.471 2.293 20 5 FEBDMO CS(=O)(=O)c1cccc(NC[C@H]2CCCn3cc[nH+]c32)c1[N+](=O)[O-] ZINC000497531413 561503178 /nfs/dbraw/zinc/50/31/78/561503178.db2.gz GFPRLVADZRPWQG-LLVKDONJSA-N 1 1 350.400 2.184 20 5 FEBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000282605245 551251129 /nfs/dbraw/zinc/25/11/29/551251129.db2.gz BQLOEFCSHYWDQW-INIZCTEOSA-N 1 1 371.441 2.208 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@@H]2C1 ZINC000284641707 551596648 /nfs/dbraw/zinc/59/66/48/551596648.db2.gz OBWIAWDRKYHZEK-UKRRQHHQSA-N 1 1 357.357 2.101 20 5 FEBDMO CCNC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000284726922 551618311 /nfs/dbraw/zinc/61/83/11/551618311.db2.gz KAUQOBKUVVTEMT-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000284726922 551618312 /nfs/dbraw/zinc/61/83/12/551618312.db2.gz KAUQOBKUVVTEMT-CQSZACIVSA-N 1 1 362.430 2.222 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H](C)[S@]1=O ZINC000285428174 551755048 /nfs/dbraw/zinc/75/50/48/551755048.db2.gz CFXZHDKUIJBLEP-CRWJGOAPSA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H](C)[S@]1=O ZINC000285428174 551755050 /nfs/dbraw/zinc/75/50/50/551755050.db2.gz CFXZHDKUIJBLEP-CRWJGOAPSA-N 1 1 367.471 2.463 20 5 FEBDMO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000285890578 551824271 /nfs/dbraw/zinc/82/42/71/551824271.db2.gz XLIZKKFYVYRQQU-HNNXBMFYSA-N 1 1 359.386 2.053 20 5 FEBDMO CC(=O)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000286246670 551865329 /nfs/dbraw/zinc/86/53/29/551865329.db2.gz DQIKWNPGRYSTNN-MQVJKMGUSA-N 1 1 374.441 2.293 20 5 FEBDMO CC(=O)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000286246670 551865330 /nfs/dbraw/zinc/86/53/30/551865330.db2.gz DQIKWNPGRYSTNN-MQVJKMGUSA-N 1 1 374.441 2.293 20 5 FEBDMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000286259402 551866654 /nfs/dbraw/zinc/86/66/54/551866654.db2.gz GNJWIGCFDHYYHJ-GXTWGEPZSA-N 1 1 353.444 2.061 20 5 FEBDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000286339571 551876279 /nfs/dbraw/zinc/87/62/79/551876279.db2.gz GIHYOQUZMBJJMY-MRXNPFEDSA-N 1 1 373.409 2.309 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000286438946 551885598 /nfs/dbraw/zinc/88/55/98/551885598.db2.gz SKUUXXOABGJKJG-UHFFFAOYSA-N 1 1 356.382 2.097 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000286731436 551919997 /nfs/dbraw/zinc/91/99/97/551919997.db2.gz JYQAHYCGEBOZAQ-NVXWUHKLSA-N 1 1 369.425 2.445 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000286731437 551920021 /nfs/dbraw/zinc/92/00/21/551920021.db2.gz JYQAHYCGEBOZAQ-RDJZCZTQSA-N 1 1 369.425 2.445 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000286732783 551920283 /nfs/dbraw/zinc/92/02/83/551920283.db2.gz JYQAHYCGEBOZAQ-WBVHZDCISA-N 1 1 369.425 2.445 20 5 FEBDMO COC(=O)c1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000499203230 561545657 /nfs/dbraw/zinc/54/56/57/561545657.db2.gz FXFHRAXEKOUGAI-CYBMUJFWSA-N 1 1 363.414 2.376 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000499462496 561551635 /nfs/dbraw/zinc/55/16/35/561551635.db2.gz FUGHLOJTIVVZJG-HNNXBMFYSA-N 1 1 353.394 2.307 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000499462496 561551636 /nfs/dbraw/zinc/55/16/36/561551636.db2.gz FUGHLOJTIVVZJG-HNNXBMFYSA-N 1 1 353.394 2.307 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000499726149 561557228 /nfs/dbraw/zinc/55/72/28/561557228.db2.gz WQSBQUYVHNKCOF-CQSZACIVSA-N 1 1 372.429 2.170 20 5 FEBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000288506759 552165614 /nfs/dbraw/zinc/16/56/14/552165614.db2.gz SLSMGUHBTIMRPN-UHFFFAOYSA-N 1 1 358.373 2.273 20 5 FEBDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3C[C@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000289302584 552297882 /nfs/dbraw/zinc/29/78/82/552297882.db2.gz IHXAVJKSHYYURT-WMLDXEAASA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3C[C@H](O)Cn3cc([N+](=O)[O-])cn3)nc2c1 ZINC000289302584 552297883 /nfs/dbraw/zinc/29/78/83/552297883.db2.gz IHXAVJKSHYYURT-WMLDXEAASA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2nc([C@H]3CCC[N@@H+]3C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000289302584 552297884 /nfs/dbraw/zinc/29/78/84/552297884.db2.gz IHXAVJKSHYYURT-WMLDXEAASA-N 1 1 370.413 2.174 20 5 FEBDMO Cc1ccc2nc([C@H]3CCC[N@H+]3C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[nH]c2c1 ZINC000289302584 552297886 /nfs/dbraw/zinc/29/78/86/552297886.db2.gz IHXAVJKSHYYURT-WMLDXEAASA-N 1 1 370.413 2.174 20 5 FEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289385211 552312598 /nfs/dbraw/zinc/31/25/98/552312598.db2.gz LSZOGTSWCYBJRC-GOSISDBHSA-N 1 1 367.446 2.345 20 5 FEBDMO C[N@@H+](CCCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289581119 552344038 /nfs/dbraw/zinc/34/40/38/552344038.db2.gz RGSZHEDZTMPBJC-UHFFFAOYSA-N 1 1 364.183 2.404 20 5 FEBDMO NC(=O)c1ccnc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000290518479 552491743 /nfs/dbraw/zinc/49/17/43/552491743.db2.gz FZRNNEQQTNHOKQ-OAHLLOKOSA-N 1 1 369.425 2.065 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290525654 552492610 /nfs/dbraw/zinc/49/26/10/552492610.db2.gz GSNOWMIZXNCYNQ-KBPBESRZSA-N 1 1 361.446 2.180 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000290823819 552544295 /nfs/dbraw/zinc/54/42/95/552544295.db2.gz OYVOPIVAAWLSBN-YOEHRIQHSA-N 1 1 374.441 2.038 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000290895066 552557323 /nfs/dbraw/zinc/55/73/23/552557323.db2.gz VFUOPPOXVQZGJU-UHFFFAOYSA-N 1 1 373.413 2.149 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1OC ZINC000290899348 552558178 /nfs/dbraw/zinc/55/81/78/552558178.db2.gz HEFUULGBUMJKEL-GFCCVEGCSA-N 1 1 353.419 2.461 20 5 FEBDMO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(N)=O ZINC000292284646 552712205 /nfs/dbraw/zinc/71/22/05/552712205.db2.gz SZTPNFNATYLRCU-SJKOYZFVSA-N 1 1 371.393 2.209 20 5 FEBDMO C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000292444664 552727173 /nfs/dbraw/zinc/72/71/73/552727173.db2.gz XHHSLVIZRQRCEP-HNNXBMFYSA-N 1 1 360.458 2.364 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292928811 552772045 /nfs/dbraw/zinc/77/20/45/552772045.db2.gz YSQRKWLLYJFWKN-INIZCTEOSA-N 1 1 353.444 2.010 20 5 FEBDMO CC(C)[C@@]1(CO)CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000293221678 552800547 /nfs/dbraw/zinc/80/05/47/552800547.db2.gz XZBADBIAIFFJMT-IBGZPJMESA-N 1 1 361.442 2.214 20 5 FEBDMO CC(C)[C@@]1(CO)CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000293221678 552800548 /nfs/dbraw/zinc/80/05/48/552800548.db2.gz XZBADBIAIFFJMT-IBGZPJMESA-N 1 1 361.442 2.214 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000294180952 552888371 /nfs/dbraw/zinc/88/83/71/552888371.db2.gz PAUJUFQVBRBFNU-QGZVFWFLSA-N 1 1 351.378 2.057 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295116398 552960386 /nfs/dbraw/zinc/96/03/86/552960386.db2.gz LWNYQDFLIKANKF-LBPRGKRZSA-N 1 1 353.394 2.450 20 5 FEBDMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000295504453 553017527 /nfs/dbraw/zinc/01/75/27/553017527.db2.gz HLQHITXHKONBQW-LSDHHAIUSA-N 1 1 355.394 2.255 20 5 FEBDMO CC(C)(C)OC(=O)NCCC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000295909139 553074637 /nfs/dbraw/zinc/07/46/37/553074637.db2.gz DFCRUNUBJCAJEY-UHFFFAOYSA-N 1 1 365.434 2.027 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296855442 553220976 /nfs/dbraw/zinc/22/09/76/553220976.db2.gz TYZXNFCRMFRVQO-OLZOCXBDSA-N 1 1 353.419 2.473 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296880743 553224427 /nfs/dbraw/zinc/22/44/27/553224427.db2.gz VACAEGXQHKVSNZ-AWEZNQCLSA-N 1 1 364.402 2.004 20 5 FEBDMO CCCn1cc(C[N@@H+]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cn1 ZINC000297006052 553241220 /nfs/dbraw/zinc/24/12/20/553241220.db2.gz GDGSGZWBZWZVCL-UHFFFAOYSA-N 1 1 359.434 2.012 20 5 FEBDMO CCCn1cc(C[N@H+]2CCCN(c3ncc([N+](=O)[O-])c(C)n3)CC2)cn1 ZINC000297006052 553241222 /nfs/dbraw/zinc/24/12/22/553241222.db2.gz GDGSGZWBZWZVCL-UHFFFAOYSA-N 1 1 359.434 2.012 20 5 FEBDMO Cc1cc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000502986779 561631686 /nfs/dbraw/zinc/63/16/86/561631686.db2.gz SUEMLBFPDVRJKE-GFCCVEGCSA-N 1 1 367.365 2.308 20 5 FEBDMO COC(=O)[C@]1(C)C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000503201739 561636497 /nfs/dbraw/zinc/63/64/97/561636497.db2.gz DNZKKHYQEYTESE-SJKOYZFVSA-N 1 1 352.387 2.113 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](CCO)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000298115305 553386314 /nfs/dbraw/zinc/38/63/14/553386314.db2.gz MMEDLEITTNQQEI-UHFFFAOYSA-N 1 1 373.409 2.427 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C(C)C)[C@@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000298532076 553436856 /nfs/dbraw/zinc/43/68/56/553436856.db2.gz WMXREGSZQDKGDV-CYBMUJFWSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[C@@H](C)[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(=O)OC ZINC000298556700 553439927 /nfs/dbraw/zinc/43/99/27/553439927.db2.gz OWQRMLUUQRYYPW-GFCCVEGCSA-N 1 1 367.402 2.206 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000298712605 553462284 /nfs/dbraw/zinc/46/22/84/553462284.db2.gz AMBCUHLFAPIRNC-DABQJJPHSA-N 1 1 351.403 2.166 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000299053814 553509126 /nfs/dbraw/zinc/50/91/26/553509126.db2.gz QTSWTNQQXCCIKT-QGZVFWFLSA-N 1 1 368.393 2.297 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000299053814 553509127 /nfs/dbraw/zinc/50/91/27/553509127.db2.gz QTSWTNQQXCCIKT-QGZVFWFLSA-N 1 1 368.393 2.297 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000299195581 553528795 /nfs/dbraw/zinc/52/87/95/553528795.db2.gz DPHPTJYMBDUYBP-LBPRGKRZSA-N 1 1 374.441 2.093 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000299327383 553548356 /nfs/dbraw/zinc/54/83/56/553548356.db2.gz YXEZZAXZSHSMTH-SECBINFHSA-N 1 1 359.329 2.029 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2[C@@H](CO)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000299505279 553573008 /nfs/dbraw/zinc/57/30/08/553573008.db2.gz BVERXEXAOPFLQS-QWHCGFSZSA-N 1 1 351.403 2.167 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000504302886 561655893 /nfs/dbraw/zinc/65/58/93/561655893.db2.gz PXLWLGQYSTXSDP-HZPDHXFCSA-N 1 1 373.457 2.053 20 5 FEBDMO CCOc1cc(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)ccc1[N+](=O)[O-] ZINC000301500224 553656214 /nfs/dbraw/zinc/65/62/14/553656214.db2.gz AMYUFTOMXUBCCZ-UHFFFAOYSA-N 1 1 372.429 2.176 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572235 553661971 /nfs/dbraw/zinc/66/19/71/553661971.db2.gz LETMUGXUWSEPBU-SUMWQHHRSA-N 1 1 369.425 2.411 20 5 FEBDMO CS(=O)(=O)c1cccc(N2CCC[N@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000301896194 553689829 /nfs/dbraw/zinc/68/98/29/553689829.db2.gz QIJBGZOIZJDTST-UHFFFAOYSA-N 1 1 367.471 2.453 20 5 FEBDMO Cc1cccc(N2CCC(Nc3ccc4ncc([N+](=O)[O-])n4n3)CC2)[nH+]1 ZINC000302007262 553697874 /nfs/dbraw/zinc/69/78/74/553697874.db2.gz UPRHJFLRSNSYCC-UHFFFAOYSA-N 1 1 353.386 2.422 20 5 FEBDMO CC(=O)N1CC[NH+](CCNc2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302022902 553698795 /nfs/dbraw/zinc/69/87/95/553698795.db2.gz ORTUGQIGTGXWRJ-UHFFFAOYSA-N 1 1 357.414 2.027 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC000302111187 553704998 /nfs/dbraw/zinc/70/49/98/553704998.db2.gz ULLHNHRJFCRJCT-BETUJISGSA-N 1 1 370.475 2.022 20 5 FEBDMO Cc1[nH+]c2cc(Nc3cccc(S(N)(=O)=O)c3[N+](=O)[O-])ccc2n1C ZINC000302143135 553706918 /nfs/dbraw/zinc/70/69/18/553706918.db2.gz PVJAQYMJAUAFGC-UHFFFAOYSA-N 1 1 361.383 2.181 20 5 FEBDMO C[N@H+]1CCN(CCCNc2ncc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000302179790 553709090 /nfs/dbraw/zinc/70/90/90/553709090.db2.gz YYEUCEKJTZERDB-QGZVFWFLSA-N 1 1 356.430 2.176 20 5 FEBDMO CN1CC[N@H+](CCCNc2ncc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000302179790 553709091 /nfs/dbraw/zinc/70/90/91/553709091.db2.gz YYEUCEKJTZERDB-QGZVFWFLSA-N 1 1 356.430 2.176 20 5 FEBDMO CN1CC[N@@H+](CCCNc2ncc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1 ZINC000302179790 553709092 /nfs/dbraw/zinc/70/90/92/553709092.db2.gz YYEUCEKJTZERDB-QGZVFWFLSA-N 1 1 356.430 2.176 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302194939 553709804 /nfs/dbraw/zinc/70/98/04/553709804.db2.gz SFULHJSXMGGFGU-AWEZNQCLSA-N 1 1 370.475 2.165 20 5 FEBDMO O=[N+]([O-])c1ccc2c(c1NC[C@@H](O)C[N@H+]1CCc3ccccc3C1)CCN2 ZINC000302387008 553715846 /nfs/dbraw/zinc/71/58/46/553715846.db2.gz AYPLSEJRGHKZOS-MRXNPFEDSA-N 1 1 368.437 2.394 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)C2)C1 ZINC000505503066 561672539 /nfs/dbraw/zinc/67/25/39/561672539.db2.gz KWAFVQHICDCLMJ-LJQANCHMSA-N 1 1 369.425 2.338 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000303073571 553744299 /nfs/dbraw/zinc/74/42/99/553744299.db2.gz QGFIWLSNXLKCPF-ZDUSSCGKSA-N 1 1 355.460 2.167 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313338355 553757365 /nfs/dbraw/zinc/75/73/65/553757365.db2.gz BLSGQSYUCRDHKI-INIZCTEOSA-N 1 1 361.423 2.238 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000505616808 561675542 /nfs/dbraw/zinc/67/55/42/561675542.db2.gz ZFJNTTIRIZOXON-KRWDZBQOSA-N 1 1 353.369 2.360 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000325214147 553775483 /nfs/dbraw/zinc/77/54/83/553775483.db2.gz NUUJOQDKIHCGOI-GFCCVEGCSA-N 1 1 373.862 2.415 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000507375329 561726948 /nfs/dbraw/zinc/72/69/48/561726948.db2.gz BEHBIXJCQZXWHT-AWEZNQCLSA-N 1 1 350.419 2.135 20 5 FEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000530710804 562421382 /nfs/dbraw/zinc/42/13/82/562421382.db2.gz SQJHOOISVBUZHM-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1SC ZINC000330602809 554144551 /nfs/dbraw/zinc/14/45/51/554144551.db2.gz HIDVYONVVQBCHX-MNOVXSKESA-N 1 1 353.444 2.490 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1SC ZINC000330602809 554144554 /nfs/dbraw/zinc/14/45/54/554144554.db2.gz HIDVYONVVQBCHX-MNOVXSKESA-N 1 1 353.444 2.490 20 5 FEBDMO CNc1cc2c(nn1)CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C2 ZINC000609270715 554355055 /nfs/dbraw/zinc/35/50/55/554355055.db2.gz QWWWTAGDVVOPIR-UHFFFAOYSA-N 1 1 370.413 2.122 20 5 FEBDMO Cc1c(Br)cc(C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000509651741 561809176 /nfs/dbraw/zinc/80/91/76/561809176.db2.gz NOSQLXKTJRATMI-UHFFFAOYSA-N 1 1 356.220 2.490 20 5 FEBDMO CC(C)[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000332435678 554445742 /nfs/dbraw/zinc/44/57/42/554445742.db2.gz GYWMYEDBHSFMNW-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000510659592 561842409 /nfs/dbraw/zinc/84/24/09/561842409.db2.gz CUJQEYBGOURRCN-UHFFFAOYSA-N 1 1 367.427 2.330 20 5 FEBDMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511063813 561855600 /nfs/dbraw/zinc/85/56/00/561855600.db2.gz IVPRTEAUZPQXCP-CQSZACIVSA-N 1 1 359.430 2.447 20 5 FEBDMO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511063813 561855601 /nfs/dbraw/zinc/85/56/01/561855601.db2.gz IVPRTEAUZPQXCP-CQSZACIVSA-N 1 1 359.430 2.447 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359895385 554856019 /nfs/dbraw/zinc/85/60/19/554856019.db2.gz HTHDOXISAHZRCZ-ROUUACIJSA-N 1 1 374.441 2.317 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000359895385 554856020 /nfs/dbraw/zinc/85/60/20/554856020.db2.gz HTHDOXISAHZRCZ-ROUUACIJSA-N 1 1 374.441 2.317 20 5 FEBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1 ZINC000361217818 554910455 /nfs/dbraw/zinc/91/04/55/554910455.db2.gz PXFZXNKLTNEPBO-ZFWWWQNUSA-N 1 1 371.397 2.135 20 5 FEBDMO O=C(CC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000363160485 555042985 /nfs/dbraw/zinc/04/29/85/555042985.db2.gz GKBACBGLYHURGL-UHFFFAOYSA-N 1 1 365.405 2.195 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000363347358 555082557 /nfs/dbraw/zinc/08/25/57/555082557.db2.gz GXYMQKVRXXDTOQ-UHFFFAOYSA-N 1 1 355.822 2.433 20 5 FEBDMO CC(C)C[N@H+]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000363419307 555101299 /nfs/dbraw/zinc/10/12/99/555101299.db2.gz VBDZHCPNVVJWHQ-SFHVURJKSA-N 1 1 360.458 2.364 20 5 FEBDMO CCCc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@H+](CC)CC3)c1[N+](=O)[O-] ZINC000363513600 555124637 /nfs/dbraw/zinc/12/46/37/555124637.db2.gz FLYGMOBTMUVVSC-UHFFFAOYSA-N 1 1 364.431 2.357 20 5 FEBDMO CCCc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@@H+](CC)CC3)c1[N+](=O)[O-] ZINC000363513600 555124639 /nfs/dbraw/zinc/12/46/39/555124639.db2.gz FLYGMOBTMUVVSC-UHFFFAOYSA-N 1 1 364.431 2.357 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659164 555157968 /nfs/dbraw/zinc/15/79/68/555157968.db2.gz GKZHKNRVBBTOIF-HLLBOEOZSA-N 1 1 358.442 2.340 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000363659164 555157971 /nfs/dbraw/zinc/15/79/71/555157971.db2.gz GKZHKNRVBBTOIF-HLLBOEOZSA-N 1 1 358.442 2.340 20 5 FEBDMO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1SCCO)C1=CC[N@@H+](C)CC1 ZINC000512122110 561893045 /nfs/dbraw/zinc/89/30/45/561893045.db2.gz HIHLRKAVPUQLNU-LBPRGKRZSA-N 1 1 365.455 2.059 20 5 FEBDMO O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345053 555295314 /nfs/dbraw/zinc/29/53/14/555295314.db2.gz ZVBWPKVZCORNSH-AEFFLSMTSA-N 1 1 369.425 2.448 20 5 FEBDMO O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364345053 555295318 /nfs/dbraw/zinc/29/53/18/555295318.db2.gz ZVBWPKVZCORNSH-AEFFLSMTSA-N 1 1 369.425 2.448 20 5 FEBDMO CCCN(CC[NH+]1CCCC1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000512421362 561904527 /nfs/dbraw/zinc/90/45/27/561904527.db2.gz RSTGWVAHTWGTMX-UHFFFAOYSA-N 1 1 369.487 2.176 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364598701 555348898 /nfs/dbraw/zinc/34/88/98/555348898.db2.gz JGJUBSRPBVYIEQ-UHFFFAOYSA-N 1 1 351.447 2.272 20 5 FEBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512458172 561905953 /nfs/dbraw/zinc/90/59/53/561905953.db2.gz YSFXABBFJOVFRO-HOCLYGCPSA-N 1 1 361.442 2.499 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@@]1=O ZINC000512485812 561907377 /nfs/dbraw/zinc/90/73/77/561907377.db2.gz JFYULDZYTSVNIJ-VQGQKXPLSA-N 1 1 353.444 2.155 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)[S@@]1=O ZINC000512485812 561907378 /nfs/dbraw/zinc/90/73/78/561907378.db2.gz JFYULDZYTSVNIJ-VQGQKXPLSA-N 1 1 353.444 2.155 20 5 FEBDMO Cc1ccn(C2CC[NH+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)CC2)n1 ZINC000364890965 555427402 /nfs/dbraw/zinc/42/74/02/555427402.db2.gz XPKLRIRZEPJNNZ-UHFFFAOYSA-N 1 1 369.425 2.326 20 5 FEBDMO O=C(C[N@@H+]1CC[C@H](COC(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512839928 561917563 /nfs/dbraw/zinc/91/75/63/561917563.db2.gz LBQWYINGBBTBDF-NSHDSACASA-N 1 1 355.341 2.045 20 5 FEBDMO O=C(C[N@H+]1CC[C@H](COC(F)F)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512839928 561917565 /nfs/dbraw/zinc/91/75/65/561917565.db2.gz LBQWYINGBBTBDF-NSHDSACASA-N 1 1 355.341 2.045 20 5 FEBDMO Cc1n[nH]c(C2CCN([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000365108037 555486859 /nfs/dbraw/zinc/48/68/59/555486859.db2.gz AKDGYYAWDUCBNV-LLVKDONJSA-N 1 1 358.402 2.228 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000365338525 555548056 /nfs/dbraw/zinc/54/80/56/555548056.db2.gz HOEFPIPRJCVBQJ-AWEZNQCLSA-N 1 1 366.849 2.100 20 5 FEBDMO COC(=O)c1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n(C)c1C ZINC000366056133 555738734 /nfs/dbraw/zinc/73/87/34/555738734.db2.gz DRIDROMHMWMTIP-ZDUSSCGKSA-N 1 1 361.402 2.062 20 5 FEBDMO COC(=O)c1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)n(C)c1C ZINC000366056133 555738735 /nfs/dbraw/zinc/73/87/35/555738735.db2.gz DRIDROMHMWMTIP-ZDUSSCGKSA-N 1 1 361.402 2.062 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000513708209 561947473 /nfs/dbraw/zinc/94/74/73/561947473.db2.gz ODVSFWOYNWWZBQ-PXCJXSSVSA-N 1 1 357.414 2.051 20 5 FEBDMO CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366567409 555877689 /nfs/dbraw/zinc/87/76/89/555877689.db2.gz CQUUFOUFSDCCMG-RDTXWAMCSA-N 1 1 366.414 2.252 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000366567409 555877693 /nfs/dbraw/zinc/87/76/93/555877693.db2.gz CQUUFOUFSDCCMG-RDTXWAMCSA-N 1 1 366.414 2.252 20 5 FEBDMO Cn1cc(-c2ncc(C[N@@H+](C)CCc3cccc([N+](=O)[O-])c3)cn2)cn1 ZINC000367350287 556024825 /nfs/dbraw/zinc/02/48/25/556024825.db2.gz UEXMJDTXTFSQLP-UHFFFAOYSA-N 1 1 352.398 2.460 20 5 FEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000367938240 556177585 /nfs/dbraw/zinc/17/75/85/556177585.db2.gz JTZKFQLDLVNBRZ-MRXNPFEDSA-N 1 1 360.458 2.261 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)cc1[N+](=O)[O-] ZINC000515003435 561991173 /nfs/dbraw/zinc/99/11/73/561991173.db2.gz QORQTOOBDROCSI-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368056236 556206019 /nfs/dbraw/zinc/20/60/19/556206019.db2.gz REMNLICYNHRXOM-UGSOOPFHSA-N 1 1 365.430 2.271 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368056236 556206022 /nfs/dbraw/zinc/20/60/22/556206022.db2.gz REMNLICYNHRXOM-UGSOOPFHSA-N 1 1 365.430 2.271 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072114 556210682 /nfs/dbraw/zinc/21/06/82/556210682.db2.gz IEFBYUVAKAXAIE-IBGZPJMESA-N 1 1 357.410 2.130 20 5 FEBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc3c(cc1[N+](=O)[O-])OCCO3)CC2 ZINC000368197326 556245976 /nfs/dbraw/zinc/24/59/76/556245976.db2.gz DEBHRKJQAYIALE-UHFFFAOYSA-N 1 1 361.398 2.066 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000368578371 556351152 /nfs/dbraw/zinc/35/11/52/556351152.db2.gz MMWRKPAJUGVMEE-ZDUSSCGKSA-N 1 1 362.386 2.351 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000368578371 556351156 /nfs/dbraw/zinc/35/11/56/556351156.db2.gz MMWRKPAJUGVMEE-ZDUSSCGKSA-N 1 1 362.386 2.351 20 5 FEBDMO COC[C@H]1CCCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000368660594 556377387 /nfs/dbraw/zinc/37/73/87/556377387.db2.gz SMZKPBLOIOWKPO-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO COC[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000368660594 556377389 /nfs/dbraw/zinc/37/73/89/556377389.db2.gz SMZKPBLOIOWKPO-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976428 556465715 /nfs/dbraw/zinc/46/57/15/556465715.db2.gz WGKZQPTZRZXLQD-XUWXXGDYSA-N 1 1 370.409 2.378 20 5 FEBDMO CCCN1CC[NH+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000369155362 556519416 /nfs/dbraw/zinc/51/94/16/556519416.db2.gz DGVUGJHZUFISOH-UHFFFAOYSA-N 1 1 360.458 2.227 20 5 FEBDMO O=C1C[C@H]([N@@H+]2CC[C@H](c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000369181444 556527882 /nfs/dbraw/zinc/52/78/82/556527882.db2.gz YOVSDOWXMZESHC-WFASDCNBSA-N 1 1 355.350 2.309 20 5 FEBDMO O=C1C[C@H]([N@H+]2CC[C@H](c3ccco3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000369181444 556527885 /nfs/dbraw/zinc/52/78/85/556527885.db2.gz YOVSDOWXMZESHC-WFASDCNBSA-N 1 1 355.350 2.309 20 5 FEBDMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000369224443 556540667 /nfs/dbraw/zinc/54/06/67/556540667.db2.gz FTMJSZCMZXVKLT-INIZCTEOSA-N 1 1 372.429 2.215 20 5 FEBDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1 ZINC000369224443 556540669 /nfs/dbraw/zinc/54/06/69/556540669.db2.gz FTMJSZCMZXVKLT-INIZCTEOSA-N 1 1 372.429 2.215 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Cl)c1 ZINC000369349104 556576503 /nfs/dbraw/zinc/57/65/03/556576503.db2.gz XBCJOMLHYAKCGJ-CYBMUJFWSA-N 1 1 354.838 2.067 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)C1 ZINC000369495699 556611594 /nfs/dbraw/zinc/61/15/94/556611594.db2.gz DIBIMEJGKSKPGF-OAHLLOKOSA-N 1 1 366.849 2.100 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000370107141 556782474 /nfs/dbraw/zinc/78/24/74/556782474.db2.gz GQBXCOSEGMSOBV-CQSZACIVSA-N 1 1 353.444 2.070 20 5 FEBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000370537917 556902880 /nfs/dbraw/zinc/90/28/80/556902880.db2.gz HQLTUVFJBLFGLY-UHFFFAOYSA-N 1 1 370.409 2.347 20 5 FEBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000370537917 556902883 /nfs/dbraw/zinc/90/28/83/556902883.db2.gz HQLTUVFJBLFGLY-UHFFFAOYSA-N 1 1 370.409 2.347 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000370689125 556940829 /nfs/dbraw/zinc/94/08/29/556940829.db2.gz KBGVKHFOBRDKAV-ZWKOTPCHSA-N 1 1 374.441 2.132 20 5 FEBDMO Cc1c(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370847607 556989298 /nfs/dbraw/zinc/98/92/98/556989298.db2.gz ZWUOGFSWFLZLRF-MRXNPFEDSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1c(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000370847607 556989300 /nfs/dbraw/zinc/98/93/00/556989300.db2.gz ZWUOGFSWFLZLRF-MRXNPFEDSA-N 1 1 360.458 2.144 20 5 FEBDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000516998282 562070117 /nfs/dbraw/zinc/07/01/17/562070117.db2.gz SEQUFFHCVZBLCZ-ZIAGYGMSSA-N 1 1 363.414 2.376 20 5 FEBDMO Cn1cc([C@H]2[C@H](CNC(=O)Cc3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000370920149 557015650 /nfs/dbraw/zinc/01/56/50/557015650.db2.gz ZGZSPSCWPRCPOU-HNAYVOBHSA-N 1 1 371.441 2.070 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@]2(CCSC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000517232727 562081527 /nfs/dbraw/zinc/08/15/27/562081527.db2.gz HTBQPMFSKZNWQW-MRXNPFEDSA-N 1 1 351.428 2.131 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000371277062 557128685 /nfs/dbraw/zinc/12/86/85/557128685.db2.gz DSJSOYSGYKJOED-GOSISDBHSA-N 1 1 365.393 2.058 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000371277062 557128689 /nfs/dbraw/zinc/12/86/89/557128689.db2.gz DSJSOYSGYKJOED-GOSISDBHSA-N 1 1 365.393 2.058 20 5 FEBDMO Cc1[nH+]c(CNC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c2n1CCCC2 ZINC000371310072 557141110 /nfs/dbraw/zinc/14/11/10/557141110.db2.gz GEPZTKBWXAKNOP-UHFFFAOYSA-N 1 1 357.414 2.432 20 5 FEBDMO NC(=O)C1([NH+]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000371382377 557168343 /nfs/dbraw/zinc/16/83/43/557168343.db2.gz ZBOLBPHLYVZKHJ-FNORWQNLSA-N 1 1 358.442 2.024 20 5 FEBDMO COc1ccc(-c2ccc(CNC[C@@H]3C[N@H+](C)CCN3C)o2)c([N+](=O)[O-])c1 ZINC000518452546 562111884 /nfs/dbraw/zinc/11/18/84/562111884.db2.gz LTKLUXHKTMPBKQ-CQSZACIVSA-N 1 1 374.441 2.199 20 5 FEBDMO COc1ccc(-c2ccc(CNC[C@@H]3C[N@@H+](C)CCN3C)o2)c([N+](=O)[O-])c1 ZINC000518452546 562111885 /nfs/dbraw/zinc/11/18/85/562111885.db2.gz LTKLUXHKTMPBKQ-CQSZACIVSA-N 1 1 374.441 2.199 20 5 FEBDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372289055 557430768 /nfs/dbraw/zinc/43/07/68/557430768.db2.gz NUINORDQLCUDAD-HOCLYGCPSA-N 1 1 369.425 2.406 20 5 FEBDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372289055 557430771 /nfs/dbraw/zinc/43/07/71/557430771.db2.gz NUINORDQLCUDAD-HOCLYGCPSA-N 1 1 369.425 2.406 20 5 FEBDMO COc1ccc2c(c1)[C@@H](C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000372345776 557445910 /nfs/dbraw/zinc/44/59/10/557445910.db2.gz LJNYWASZDWOEJW-AWEZNQCLSA-N 1 1 357.410 2.427 20 5 FEBDMO O=C1OCC[C@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]12 ZINC000372353127 557447877 /nfs/dbraw/zinc/44/78/77/557447877.db2.gz CKLNIVCVBVBKLU-PXAZEXFGSA-N 1 1 357.366 2.430 20 5 FEBDMO O=C1OCC[C@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]12 ZINC000372353127 557447879 /nfs/dbraw/zinc/44/78/79/557447879.db2.gz CKLNIVCVBVBKLU-PXAZEXFGSA-N 1 1 357.366 2.430 20 5 FEBDMO CN1CCC[C@@]2(CC[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C2)C1=O ZINC000372507149 557488268 /nfs/dbraw/zinc/48/82/68/557488268.db2.gz QUJVRTVPMQVUMU-SFHVURJKSA-N 1 1 371.397 2.089 20 5 FEBDMO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581220 557722075 /nfs/dbraw/zinc/72/20/75/557722075.db2.gz DVBRGBZVKHTSIF-FUHWJXTLSA-N 1 1 374.441 2.485 20 5 FEBDMO O=C1O[C@@H](C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CN1c1ccccc1 ZINC000373586509 557723710 /nfs/dbraw/zinc/72/37/10/557723710.db2.gz SSYIBJMPESISCM-RDJZCZTQSA-N 1 1 371.397 2.454 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000375110062 557979413 /nfs/dbraw/zinc/97/94/13/557979413.db2.gz FQKBFMCQAUKPIV-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])CC2)C1 ZINC000375523038 558042528 /nfs/dbraw/zinc/04/25/28/558042528.db2.gz WEEDUVDPABYAQI-GFCCVEGCSA-N 1 1 373.379 2.225 20 5 FEBDMO CC(C)c1ccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000375533103 558044426 /nfs/dbraw/zinc/04/44/26/558044426.db2.gz BWNWADOEHJKFBM-SJLPKXTDSA-N 1 1 361.442 2.389 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H](CO)C1 ZINC000376502670 558181841 /nfs/dbraw/zinc/18/18/41/558181841.db2.gz XWANKDOVDDPSTD-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000522416648 562198218 /nfs/dbraw/zinc/19/82/18/562198218.db2.gz MCQAGSRQTVFPGT-JSGCOSHPSA-N 1 1 355.460 2.302 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](c3ccc(Cl)cc3)[C@H](CO)C2)n1 ZINC000377647844 558386134 /nfs/dbraw/zinc/38/61/34/558386134.db2.gz TZRKKFJGPURZKG-ZFWWWQNUSA-N 1 1 350.806 2.153 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377647660 558386138 /nfs/dbraw/zinc/38/61/38/558386138.db2.gz FYMXKBGSRLFBAQ-JSGCOSHPSA-N 1 1 350.806 2.190 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCOC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000377704899 558401453 /nfs/dbraw/zinc/40/14/53/558401453.db2.gz NZTKIDQUPBWKGA-UHFFFAOYSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)[N@H+]1CCc2ccccc2C1 ZINC000522592689 562200119 /nfs/dbraw/zinc/20/01/19/562200119.db2.gz JHMRVDCVNNRBHR-CQSZACIVSA-N 1 1 371.441 2.089 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nnc[nH]4)C3)n2)c1 ZINC000378008585 558462104 /nfs/dbraw/zinc/46/21/04/558462104.db2.gz XQEWCKXRTFCTSS-GFCCVEGCSA-N 1 1 355.358 2.143 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H](c4nnc[nH]4)C3)n2)c1 ZINC000378008585 558462106 /nfs/dbraw/zinc/46/21/06/558462106.db2.gz XQEWCKXRTFCTSS-GFCCVEGCSA-N 1 1 355.358 2.143 20 5 FEBDMO CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccc(C)c([N+](=O)[O-])c4)C[C@@H]3C2)no1 ZINC000378347089 558534921 /nfs/dbraw/zinc/53/49/21/558534921.db2.gz BXWPJCFAPNRIIW-IYBDPMFKSA-N 1 1 371.441 2.412 20 5 FEBDMO Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1CNc1ncc([N+](=O)[O-])cc1C ZINC000378423607 558553301 /nfs/dbraw/zinc/55/33/01/558553301.db2.gz LPVIDLLWJSPLCO-UHFFFAOYSA-N 1 1 373.461 2.094 20 5 FEBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378435632 558556550 /nfs/dbraw/zinc/55/65/50/558556550.db2.gz UVVUMPQSTXOTAA-GOSISDBHSA-N 1 1 362.474 2.074 20 5 FEBDMO CN(CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378435632 558556552 /nfs/dbraw/zinc/55/65/52/558556552.db2.gz UVVUMPQSTXOTAA-GOSISDBHSA-N 1 1 362.474 2.074 20 5 FEBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183024 558654577 /nfs/dbraw/zinc/65/45/77/558654577.db2.gz OUYAGVXAVZMZCE-RHSMWYFYSA-N 1 1 358.442 2.043 20 5 FEBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183025 558654708 /nfs/dbraw/zinc/65/47/08/558654708.db2.gz OUYAGVXAVZMZCE-WMLDXEAASA-N 1 1 358.442 2.043 20 5 FEBDMO COc1ccc(CSCC(=O)NCC[N@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000524775173 562234439 /nfs/dbraw/zinc/23/44/39/562234439.db2.gz UHPZWFCBKMFBAL-ZDUSSCGKSA-N 1 1 367.471 2.295 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000411239578 558858499 /nfs/dbraw/zinc/85/84/99/558858499.db2.gz GJMTYWJBRHTVJA-UHFFFAOYSA-N 1 1 362.430 2.222 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000411621446 558930649 /nfs/dbraw/zinc/93/06/49/558930649.db2.gz QLZMQMPALAYTFV-XEZPLFJOSA-N 1 1 365.430 2.413 20 5 FEBDMO CCN1C[C@H](C)[NH+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000411715107 558949594 /nfs/dbraw/zinc/94/95/94/558949594.db2.gz AXHVMRXMTCJFTN-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411791338 558963746 /nfs/dbraw/zinc/96/37/46/558963746.db2.gz KVCVJPPMOJSBPG-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[C@H]1CN(CC)CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411791338 558963748 /nfs/dbraw/zinc/96/37/48/558963748.db2.gz KVCVJPPMOJSBPG-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[C@H]1CN(CC)CC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411791338 558963749 /nfs/dbraw/zinc/96/37/49/558963749.db2.gz KVCVJPPMOJSBPG-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000411907957 558986181 /nfs/dbraw/zinc/98/61/81/558986181.db2.gz CNQGTINLFIMATI-LMMKCTJWSA-N 1 1 358.394 2.142 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000411943295 558992777 /nfs/dbraw/zinc/99/27/77/558992777.db2.gz QGZYFVNKTYJJGS-JTQLQIEISA-N 1 1 373.356 2.115 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411985854 558999199 /nfs/dbraw/zinc/99/91/99/558999199.db2.gz SWRTVVQPWRFQNL-HNNXBMFYSA-N 1 1 365.430 2.223 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000411985855 558999294 /nfs/dbraw/zinc/99/92/94/558999294.db2.gz SWRTVVQPWRFQNL-OAHLLOKOSA-N 1 1 365.430 2.223 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCCCCn2cc[nH+]c2C)c1F ZINC000412122636 559015813 /nfs/dbraw/zinc/01/58/13/559015813.db2.gz GOUHUHZTFAIHHJ-UHFFFAOYSA-N 1 1 364.377 2.387 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000412297717 559025839 /nfs/dbraw/zinc/02/58/39/559025839.db2.gz FDEMHRXJMGKFKE-FHLIZLRMSA-N 1 1 361.442 2.315 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000412364982 559031029 /nfs/dbraw/zinc/03/10/29/559031029.db2.gz PEDOPEKJAXRBNR-XWTMOSNGSA-N 1 1 359.426 2.020 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413438783 559107768 /nfs/dbraw/zinc/10/77/68/559107768.db2.gz MLIVAGRQHZEXJV-RBUKOAKNSA-N 1 1 374.485 2.183 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413438783 559107769 /nfs/dbraw/zinc/10/77/69/559107769.db2.gz MLIVAGRQHZEXJV-RBUKOAKNSA-N 1 1 374.485 2.183 20 5 FEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000527183087 562279298 /nfs/dbraw/zinc/27/92/98/562279298.db2.gz UPBDQJIKPXJZFB-GOSISDBHSA-N 1 1 359.357 2.309 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000415504166 559244334 /nfs/dbraw/zinc/24/43/34/559244334.db2.gz PABNTWDZEWQWHR-UHFFFAOYSA-N 1 1 361.446 2.241 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)cc1[N+](=O)[O-] ZINC000416421558 559312011 /nfs/dbraw/zinc/31/20/11/559312011.db2.gz DHNVQINQFXDBJM-CHWSQXEVSA-N 1 1 353.444 2.115 20 5 FEBDMO COC1(C(F)(F)F)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000419346939 559438771 /nfs/dbraw/zinc/43/87/71/559438771.db2.gz JGZJRFCZMZKVEA-UHFFFAOYSA-N 1 1 361.320 2.237 20 5 FEBDMO O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423717732 559636865 /nfs/dbraw/zinc/63/68/65/559636865.db2.gz BFSXISNHNOQWOF-CYBMUJFWSA-N 1 1 355.398 2.200 20 5 FEBDMO COCC[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425386027 559699372 /nfs/dbraw/zinc/69/93/72/559699372.db2.gz QVORXKUBTOVIPH-UHFFFAOYSA-N 1 1 358.236 2.121 20 5 FEBDMO CO[C@@H](C[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1)C1CC1 ZINC000425434703 559702146 /nfs/dbraw/zinc/70/21/46/559702146.db2.gz QQIZCSICTUHSFQ-KRWDZBQOSA-N 1 1 359.430 2.408 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+](CCO)C1CCOCC1 ZINC000425449767 559702881 /nfs/dbraw/zinc/70/28/81/559702881.db2.gz SZQMSTMXACPWRA-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504299 559706446 /nfs/dbraw/zinc/70/64/46/559706446.db2.gz VJFDBBBRKKUARN-CQSZACIVSA-N 1 1 358.402 2.160 20 5 FEBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425661652 559713723 /nfs/dbraw/zinc/71/37/23/559713723.db2.gz YAHZBVINJAMXNU-MAUKXSAKSA-N 1 1 367.409 2.150 20 5 FEBDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000429242045 559793728 /nfs/dbraw/zinc/79/37/28/559793728.db2.gz OVAIMLSFBAKACM-CQSZACIVSA-N 1 1 360.389 2.106 20 5 FEBDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000429242045 559793729 /nfs/dbraw/zinc/79/37/29/559793729.db2.gz OVAIMLSFBAKACM-CQSZACIVSA-N 1 1 360.389 2.106 20 5 FEBDMO COC(=O)[C@@H](CC(C)C)NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429244553 559793771 /nfs/dbraw/zinc/79/37/71/559793771.db2.gz LNOICYGBQQGYGL-CQSZACIVSA-N 1 1 365.430 2.123 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000432178346 559853483 /nfs/dbraw/zinc/85/34/83/559853483.db2.gz QGRHMPZYPFIGSE-CQSZACIVSA-N 1 1 372.425 2.322 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434768848 559908914 /nfs/dbraw/zinc/90/89/14/559908914.db2.gz UFFARMLVNKOYLQ-INIZCTEOSA-N 1 1 367.471 2.452 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434768848 559908915 /nfs/dbraw/zinc/90/89/15/559908915.db2.gz UFFARMLVNKOYLQ-INIZCTEOSA-N 1 1 367.471 2.452 20 5 FEBDMO O=[N+]([O-])c1cnn(CCN(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435694578 559928411 /nfs/dbraw/zinc/92/84/11/559928411.db2.gz MATSUSYMYMAKJZ-MRXNPFEDSA-N 1 1 361.471 2.497 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCSC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000438646582 559981705 /nfs/dbraw/zinc/98/17/05/559981705.db2.gz BPHDAOSQPNEIHN-ZDUSSCGKSA-N 1 1 353.444 2.032 20 5 FEBDMO CC(C)c1ncc(C[N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000440464430 560011562 /nfs/dbraw/zinc/01/15/62/560011562.db2.gz GCWNXAGWLPMERE-HNNXBMFYSA-N 1 1 360.414 2.380 20 5 FEBDMO CC(C)c1ncc(C[N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000440464430 560011563 /nfs/dbraw/zinc/01/15/63/560011563.db2.gz GCWNXAGWLPMERE-HNNXBMFYSA-N 1 1 360.414 2.380 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000441084621 560023230 /nfs/dbraw/zinc/02/32/30/560023230.db2.gz BSRUCXQOVZERTP-STQMWFEESA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000441084621 560023231 /nfs/dbraw/zinc/02/32/31/560023231.db2.gz BSRUCXQOVZERTP-STQMWFEESA-N 1 1 362.430 2.091 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000441460696 560033086 /nfs/dbraw/zinc/03/30/86/560033086.db2.gz ZCYWTWVTZJYPKF-CQSZACIVSA-N 1 1 364.320 2.371 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000441460696 560033088 /nfs/dbraw/zinc/03/30/88/560033088.db2.gz ZCYWTWVTZJYPKF-CQSZACIVSA-N 1 1 364.320 2.371 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000443382518 560082779 /nfs/dbraw/zinc/08/27/79/560082779.db2.gz IOUVUFHGPCEHFO-HIFRSBDPSA-N 1 1 362.430 2.173 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)nc2c1 ZINC000444605029 560116453 /nfs/dbraw/zinc/11/64/53/560116453.db2.gz COINQMGSNIZHLD-GFCCVEGCSA-N 1 1 367.413 2.388 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)nc2c1 ZINC000444605029 560116454 /nfs/dbraw/zinc/11/64/54/560116454.db2.gz COINQMGSNIZHLD-GFCCVEGCSA-N 1 1 367.413 2.388 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000446328618 560144375 /nfs/dbraw/zinc/14/43/75/560144375.db2.gz CPTZPZYOQDONQG-GFCCVEGCSA-N 1 1 369.849 2.474 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000446328618 560144376 /nfs/dbraw/zinc/14/43/76/560144376.db2.gz CPTZPZYOQDONQG-GFCCVEGCSA-N 1 1 369.849 2.474 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000447812092 560169738 /nfs/dbraw/zinc/16/97/38/560169738.db2.gz JPBWYQANMXKHRP-MRXNPFEDSA-N 1 1 371.441 2.154 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448709895 560195432 /nfs/dbraw/zinc/19/54/32/560195432.db2.gz RVECXYBLSINJSB-PBHICJAKSA-N 1 1 355.398 2.342 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448725662 560196758 /nfs/dbraw/zinc/19/67/58/560196758.db2.gz PORBUDDADREOKL-HIFRSBDPSA-N 1 1 355.398 2.342 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448726842 560196770 /nfs/dbraw/zinc/19/67/70/560196770.db2.gz VGXFBQYRPPQKHP-HUUCEWRRSA-N 1 1 355.398 2.137 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c2c(c1)COCO2 ZINC000449674827 560236370 /nfs/dbraw/zinc/23/63/70/560236370.db2.gz WYWSJRUPAWYFPO-XPTSAGLGSA-N 1 1 362.304 2.206 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)c2c(c1)COCO2 ZINC000449674827 560236371 /nfs/dbraw/zinc/23/63/71/560236371.db2.gz WYWSJRUPAWYFPO-XPTSAGLGSA-N 1 1 362.304 2.206 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+]1C ZINC000449931061 560245690 /nfs/dbraw/zinc/24/56/90/560245690.db2.gz XWALEBNSBCUYBF-ZFWWWQNUSA-N 1 1 357.414 2.335 20 5 FEBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450096234 560250565 /nfs/dbraw/zinc/25/05/65/560250565.db2.gz GOCDAFRVMGKSFQ-DZGCQCFKSA-N 1 1 357.414 2.239 20 5 FEBDMO O=[N+]([O-])c1ccc2c(ccnc2NC[C@]2([NH+]3CCOCC3)CCSC2)c1 ZINC000450270096 560256575 /nfs/dbraw/zinc/25/65/75/560256575.db2.gz QGFZXIXVYSIRHT-GOSISDBHSA-N 1 1 374.466 2.763 20 5 FEBDMO Cc1c(Br)c(N[C@@H](CO)C[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000450522598 560265193 /nfs/dbraw/zinc/26/51/93/560265193.db2.gz YMUDVLYQOIKRJW-LLVKDONJSA-N 1 1 373.251 2.319 20 5 FEBDMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309426 560299346 /nfs/dbraw/zinc/29/93/46/560299346.db2.gz WPCXAZDWJAFOID-UXLLHSPISA-N 1 1 350.415 2.355 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451341109 560301399 /nfs/dbraw/zinc/30/13/99/560301399.db2.gz KRVNRUWYDRBXKH-ZHALLVOQSA-N 1 1 373.453 2.499 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451357823 560302434 /nfs/dbraw/zinc/30/24/34/560302434.db2.gz ZAINKDGLENSPAD-YFHUEUNASA-N 1 1 364.442 2.350 20 5 FEBDMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546733 560313888 /nfs/dbraw/zinc/31/38/88/560313888.db2.gz JNFNMYFRPWDUER-HNNXBMFYSA-N 1 1 355.460 2.056 20 5 FEBDMO CO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000451826204 560330957 /nfs/dbraw/zinc/33/09/57/560330957.db2.gz FENYPTNHAAPOGG-USXIJHARSA-N 1 1 350.415 2.224 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000451857659 560332778 /nfs/dbraw/zinc/33/27/78/560332778.db2.gz UXEYXAXFGLNONA-JKSUJKDBSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000451857659 560332779 /nfs/dbraw/zinc/33/27/79/560332779.db2.gz UXEYXAXFGLNONA-JKSUJKDBSA-N 1 1 363.414 2.431 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(F)cc2F)c1 ZINC000451976470 560341648 /nfs/dbraw/zinc/34/16/48/560341648.db2.gz YFRNGYGSCMQOLU-BBRMVZONSA-N 1 1 352.341 2.268 20 5 FEBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000451982851 560342248 /nfs/dbraw/zinc/34/22/48/560342248.db2.gz KFBQJBCPSDDNHN-UHFFFAOYSA-N 1 1 350.463 2.109 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452109021 560351828 /nfs/dbraw/zinc/35/18/28/560351828.db2.gz GHCLADVDDMPELM-HIFRSBDPSA-N 1 1 363.414 2.289 20 5 FEBDMO C[C@@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@H+](C2CC2)C1 ZINC000452172064 560354643 /nfs/dbraw/zinc/35/46/43/560354643.db2.gz UJOHZSOIVYZNEQ-AWEZNQCLSA-N 1 1 356.426 2.492 20 5 FEBDMO C[N@@H+](CCCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000454104214 560429538 /nfs/dbraw/zinc/42/95/38/560429538.db2.gz XXLTUDBTGHSVLY-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO CCOc1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000458178774 560607113 /nfs/dbraw/zinc/60/71/13/560607113.db2.gz WPQWIPKYIJCQIX-ZDUSSCGKSA-N 1 1 365.430 2.464 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])c1 ZINC000458194393 560608221 /nfs/dbraw/zinc/60/82/21/560608221.db2.gz QFZKMEGIIZGFTQ-CYBMUJFWSA-N 1 1 363.414 2.233 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000459513335 560691070 /nfs/dbraw/zinc/69/10/70/560691070.db2.gz RPEKUMXEINBIHQ-MRXNPFEDSA-N 1 1 350.419 2.045 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000460159332 560736660 /nfs/dbraw/zinc/73/66/60/560736660.db2.gz DSUJIQQJSCOAPR-ZDUSSCGKSA-N 1 1 373.413 2.340 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463447536 560814849 /nfs/dbraw/zinc/81/48/49/560814849.db2.gz WWOCGZNPRZGIDZ-HXUWFJFHSA-N 1 1 369.421 2.478 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463447536 560814851 /nfs/dbraw/zinc/81/48/51/560814851.db2.gz WWOCGZNPRZGIDZ-HXUWFJFHSA-N 1 1 369.421 2.478 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]1CCCO1 ZINC000467134512 560904483 /nfs/dbraw/zinc/90/44/83/560904483.db2.gz XJZSQEOYGGYPIS-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000467293226 560908036 /nfs/dbraw/zinc/90/80/36/560908036.db2.gz IPQTZNCCSQNBIV-QEORTHHSSA-N 1 1 364.398 2.256 20 5 FEBDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000467293226 560908037 /nfs/dbraw/zinc/90/80/37/560908037.db2.gz IPQTZNCCSQNBIV-QEORTHHSSA-N 1 1 364.398 2.256 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000468440545 560930056 /nfs/dbraw/zinc/93/00/56/560930056.db2.gz VZPALZIVRFOKGU-AWEZNQCLSA-N 1 1 362.430 2.099 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000469163348 560948831 /nfs/dbraw/zinc/94/88/31/560948831.db2.gz IEHCNACNZXFLCH-OLZOCXBDSA-N 1 1 371.459 2.097 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000469234588 560950486 /nfs/dbraw/zinc/95/04/86/560950486.db2.gz HJJAOIZFZATJBT-UHFFFAOYSA-N 1 1 350.419 2.099 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000469274418 560951577 /nfs/dbraw/zinc/95/15/77/560951577.db2.gz SICMMXOFFGUQAF-AWEZNQCLSA-N 1 1 374.441 2.384 20 5 FEBDMO CCOCC[N@@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000470128908 560974926 /nfs/dbraw/zinc/97/49/26/560974926.db2.gz QSGOUOHNUQQDLK-GFCCVEGCSA-N 1 1 354.382 2.308 20 5 FEBDMO CCOCC[N@H+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000470128908 560974927 /nfs/dbraw/zinc/97/49/27/560974927.db2.gz QSGOUOHNUQQDLK-GFCCVEGCSA-N 1 1 354.382 2.308 20 5 FEBDMO CC(C)[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000470148278 560975280 /nfs/dbraw/zinc/97/52/80/560975280.db2.gz JQLRJMBCFVDARD-OAHLLOKOSA-N 1 1 354.382 2.212 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000470150027 560975379 /nfs/dbraw/zinc/97/53/79/560975379.db2.gz GBQJHKOBNMRTRV-WBMJQRKESA-N 1 1 358.398 2.379 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000470151120 560975575 /nfs/dbraw/zinc/97/55/75/560975575.db2.gz ZMMMDXXGPFBRKG-CYBMUJFWSA-N 1 1 367.425 2.129 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000470173733 560976031 /nfs/dbraw/zinc/97/60/31/560976031.db2.gz NFEFGKZBVVJADP-XCTGESOMSA-N 1 1 372.469 2.237 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470173251 560976084 /nfs/dbraw/zinc/97/60/84/560976084.db2.gz KKXXVYRGWAELOO-LRFDDAOPSA-N 1 1 353.444 2.012 20 5 FEBDMO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472237466 561021628 /nfs/dbraw/zinc/02/16/28/561021628.db2.gz DHEVUEKCSLHQTF-GOEBONIOSA-N 1 1 350.419 2.235 20 5 FEBDMO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472237466 561021629 /nfs/dbraw/zinc/02/16/29/561021629.db2.gz DHEVUEKCSLHQTF-GOEBONIOSA-N 1 1 350.419 2.235 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472538576 561028778 /nfs/dbraw/zinc/02/87/78/561028778.db2.gz IKYRMEHLUFOZHH-LBPRGKRZSA-N 1 1 366.393 2.053 20 5 FEBDMO C[N@H+]1CC[C@@H](Cn2nnnc2Sc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000473514936 561051615 /nfs/dbraw/zinc/05/16/15/561051615.db2.gz ZMSRAMRSEPBZBB-LLVKDONJSA-N 1 1 371.426 2.232 20 5 FEBDMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000531664759 562453477 /nfs/dbraw/zinc/45/34/77/562453477.db2.gz HQIQXWRQCBFMBL-ZBFHGGJFSA-N 1 1 372.425 2.449 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000532252602 562471665 /nfs/dbraw/zinc/47/16/65/562471665.db2.gz OOSHRLUEBLMGMP-WMLDXEAASA-N 1 1 362.430 2.099 20 5 FEBDMO NC(=O)CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533265064 562503094 /nfs/dbraw/zinc/50/30/94/562503094.db2.gz IPKHOENPMGVOBF-GFCCVEGCSA-N 1 1 359.386 2.122 20 5 FEBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533265064 562503095 /nfs/dbraw/zinc/50/30/95/562503095.db2.gz IPKHOENPMGVOBF-GFCCVEGCSA-N 1 1 359.386 2.122 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000533866997 562520233 /nfs/dbraw/zinc/52/02/33/562520233.db2.gz PKOUJXMGYUBTHU-CQSZACIVSA-N 1 1 357.414 2.455 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000534272288 562529230 /nfs/dbraw/zinc/52/92/30/562529230.db2.gz UUFXZVOHPYDZMR-CQSZACIVSA-N 1 1 357.414 2.241 20 5 FEBDMO Cn1cc(C[N@H+]2CCSC[C@@H]2CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535825620 562569037 /nfs/dbraw/zinc/56/90/37/562569037.db2.gz INQIFTPNUOSYIQ-INIZCTEOSA-N 1 1 362.455 2.295 20 5 FEBDMO COCC[N@@H+](C)CCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602526279 567987791 /nfs/dbraw/zinc/98/77/91/567987791.db2.gz GYJGHLIHEGSYHL-UHFFFAOYSA-N 1 1 352.254 2.087 20 5 FEBDMO CS(=O)(=O)C1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602639150 568002476 /nfs/dbraw/zinc/00/24/76/568002476.db2.gz UUNVPYDMDABQKM-UHFFFAOYSA-N 1 1 369.262 2.086 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)cc1 ZINC000738361758 598253831 /nfs/dbraw/zinc/25/38/31/598253831.db2.gz ZVFRFLKLCONFTH-UHFFFAOYSA-N 1 1 365.397 2.097 20 5 FEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000809821049 674512513 /nfs/dbraw/zinc/51/25/13/674512513.db2.gz HHFQCVBJYICEOP-BDAKNGLRSA-N 1 1 365.814 2.148 20 5 FEBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809815733 674511880 /nfs/dbraw/zinc/51/18/80/674511880.db2.gz PPHWMTBRXRHKOL-SECBINFHSA-N 1 1 365.814 2.007 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000563055936 674840136 /nfs/dbraw/zinc/84/01/36/674840136.db2.gz ZEGOIWZXPASYFJ-YIONKMFJSA-N 1 1 367.471 2.403 20 5 FEBDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564857743 675069051 /nfs/dbraw/zinc/06/90/51/675069051.db2.gz XXLPJTLFAFBHBM-OAGGEKHMSA-N 1 1 351.447 2.187 20 5 FEBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000068964658 670478201 /nfs/dbraw/zinc/47/82/01/670478201.db2.gz HTXFNKDJRFYQKM-DOMZBBRYSA-N 1 1 351.451 2.382 20 5 FEBDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000068964658 670478205 /nfs/dbraw/zinc/47/82/05/670478205.db2.gz HTXFNKDJRFYQKM-DOMZBBRYSA-N 1 1 351.451 2.382 20 5 FEBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000068964651 670478328 /nfs/dbraw/zinc/47/83/28/670478328.db2.gz HTXFNKDJRFYQKM-WFASDCNBSA-N 1 1 351.451 2.382 20 5 FEBDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000068964651 670478331 /nfs/dbraw/zinc/47/83/31/670478331.db2.gz HTXFNKDJRFYQKM-WFASDCNBSA-N 1 1 351.451 2.382 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1c[nH+]c2n1CCCC2 ZINC000580825218 671837394 /nfs/dbraw/zinc/83/73/94/671837394.db2.gz SUMGEMLRRUQNJZ-UHFFFAOYSA-N 1 1 350.400 2.143 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000121661400 671954978 /nfs/dbraw/zinc/95/49/78/671954978.db2.gz KRHGWVATWPVKHP-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000121661400 671954981 /nfs/dbraw/zinc/95/49/81/671954981.db2.gz KRHGWVATWPVKHP-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000123268160 671977752 /nfs/dbraw/zinc/97/77/52/671977752.db2.gz BZKGRWKIRSMURO-UHFFFAOYSA-N 1 1 371.434 2.373 20 5 FEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000126303638 672022861 /nfs/dbraw/zinc/02/28/61/672022861.db2.gz KEFUSHAQIRGDAK-KOLCDFICSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000126303638 672022865 /nfs/dbraw/zinc/02/28/65/672022865.db2.gz KEFUSHAQIRGDAK-KOLCDFICSA-N 1 1 359.835 2.152 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1[N+](=O)[O-] ZINC000582724382 672028677 /nfs/dbraw/zinc/02/86/77/672028677.db2.gz QOQDKEDTDJTEEH-ZDUSSCGKSA-N 1 1 355.460 2.120 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](C2OCCO2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171378075 672331846 /nfs/dbraw/zinc/33/18/46/672331846.db2.gz IIBAOCGCRAFHJF-LLVKDONJSA-N 1 1 369.805 2.272 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](C2OCCO2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171378075 672331852 /nfs/dbraw/zinc/33/18/52/672331852.db2.gz IIBAOCGCRAFHJF-LLVKDONJSA-N 1 1 369.805 2.272 20 5 FEBDMO O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000174814526 672363725 /nfs/dbraw/zinc/36/37/25/672363725.db2.gz WYLJOSCLNUXAEU-CYBMUJFWSA-N 1 1 367.833 2.319 20 5 FEBDMO O=C([C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000174814526 672363726 /nfs/dbraw/zinc/36/37/26/672363726.db2.gz WYLJOSCLNUXAEU-CYBMUJFWSA-N 1 1 367.833 2.319 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1C[N@H+](C)CCO1 ZINC000590309042 672572039 /nfs/dbraw/zinc/57/20/39/672572039.db2.gz HOUWFAKZDRDNCK-NOZJJQNGSA-N 1 1 361.320 2.063 20 5 FEBDMO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1C[N@@H+](C)CCO1 ZINC000590309042 672572042 /nfs/dbraw/zinc/57/20/42/672572042.db2.gz HOUWFAKZDRDNCK-NOZJJQNGSA-N 1 1 361.320 2.063 20 5 FEBDMO CN(C)C(=O)N[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590764167 672615106 /nfs/dbraw/zinc/61/51/06/672615106.db2.gz BKNYPKZCAKZWHS-AWEZNQCLSA-N 1 1 350.419 2.099 20 5 FEBDMO C[C@H]1CC2(C[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592182507 672768031 /nfs/dbraw/zinc/76/80/31/672768031.db2.gz BQRHDPVYGGMUNW-LSDHHAIUSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027710 673022592 /nfs/dbraw/zinc/02/25/92/673022592.db2.gz YPWOIYUAUNUGIT-QAPCUYQASA-N 1 1 350.415 2.368 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594485069 673089037 /nfs/dbraw/zinc/08/90/37/673089037.db2.gz VQNQBPULZLHRPK-NVXWUHKLSA-N 1 1 367.471 2.074 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)cc1[N+](=O)[O-] ZINC000594788434 673142441 /nfs/dbraw/zinc/14/24/41/673142441.db2.gz CENANANZDXPCCJ-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c(C)cc1[N+](=O)[O-] ZINC000594788434 673142443 /nfs/dbraw/zinc/14/24/43/673142443.db2.gz CENANANZDXPCCJ-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000594854283 673164920 /nfs/dbraw/zinc/16/49/20/673164920.db2.gz INJLISINZUMJMF-HNNXBMFYSA-N 1 1 367.471 2.421 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C ZINC000595046824 673189298 /nfs/dbraw/zinc/18/92/98/673189298.db2.gz BKPAGOVRKJEZSE-RISCZKNCSA-N 1 1 355.460 2.464 20 5 FEBDMO Cc1noc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595485055 673256826 /nfs/dbraw/zinc/25/68/26/673256826.db2.gz QLZWDGOLZJEBKT-JTQLQIEISA-N 1 1 364.324 2.172 20 5 FEBDMO Cc1noc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)c1[N+](=O)[O-] ZINC000595485055 673256833 /nfs/dbraw/zinc/25/68/33/673256833.db2.gz QLZWDGOLZJEBKT-JTQLQIEISA-N 1 1 364.324 2.172 20 5 FEBDMO NC(=[NH+]OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000732569729 673372237 /nfs/dbraw/zinc/37/22/37/673372237.db2.gz ZFDHSSBTPJOFTD-UHFFFAOYSA-N 1 1 356.766 2.112 20 5 FEBDMO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C[NH3+])cc(=O)[n-]1 ZINC000596655918 673401567 /nfs/dbraw/zinc/40/15/67/673401567.db2.gz ZQDYBNYMFKQHMC-LLVKDONJSA-N 1 1 363.443 2.210 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000598465133 673572670 /nfs/dbraw/zinc/57/26/70/673572670.db2.gz DNYZDPVEONYBFI-UHFFFAOYSA-N 1 1 351.403 2.232 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000543208305 673632803 /nfs/dbraw/zinc/63/28/03/673632803.db2.gz SJBJYCRBKXHCEI-ZBFHGGJFSA-N 1 1 369.487 2.173 20 5 FEBDMO NS(=O)(=O)c1ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)cc1[N+](=O)[O-] ZINC000599125761 673635186 /nfs/dbraw/zinc/63/51/86/673635186.db2.gz BGITUJMYXZQDKD-CQSZACIVSA-N 1 1 368.459 2.061 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000543677044 673661016 /nfs/dbraw/zinc/66/10/16/673661016.db2.gz WXJBZYFYOVDDHG-OCCSQVGLSA-N 1 1 355.460 2.315 20 5 FEBDMO O=C(NCC[NH+]1CCSCC1)c1c(Br)cccc1[N+](=O)[O-] ZINC000599455048 673677235 /nfs/dbraw/zinc/67/72/35/673677235.db2.gz ZCVZIPQTPISVTL-UHFFFAOYSA-N 1 1 374.260 2.136 20 5 FEBDMO C[C@H]1CCC[N@@H+]1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000742427509 673727264 /nfs/dbraw/zinc/72/72/64/673727264.db2.gz LNOMPRVCKPOZMP-JTQLQIEISA-N 1 1 363.386 2.487 20 5 FEBDMO C[C@H]1CCC[N@H+]1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000742427509 673727266 /nfs/dbraw/zinc/72/72/66/673727266.db2.gz LNOMPRVCKPOZMP-JTQLQIEISA-N 1 1 363.386 2.487 20 5 FEBDMO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000546093757 673791657 /nfs/dbraw/zinc/79/16/57/673791657.db2.gz ZWYMKUJUPDOZTR-KBPBESRZSA-N 1 1 355.460 2.277 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000601145275 673828629 /nfs/dbraw/zinc/82/86/29/673828629.db2.gz UXPWODGZXKJPFC-ZDUSSCGKSA-N 1 1 359.308 2.478 20 5 FEBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000601185186 673831649 /nfs/dbraw/zinc/83/16/49/673831649.db2.gz QMPQBPCTHZVVLW-JTQLQIEISA-N 1 1 352.341 2.340 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C[C@H]1C ZINC000601355286 673847171 /nfs/dbraw/zinc/84/71/71/673847171.db2.gz NAXYKFYYEKCRKE-ZYHUDNBSSA-N 1 1 361.489 2.458 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CC1(O)CCOCC1 ZINC000601956383 673900087 /nfs/dbraw/zinc/90/00/87/673900087.db2.gz RCBKGRHAGALJDE-QGZVFWFLSA-N 1 1 352.431 2.098 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)cc1 ZINC000602880475 673912628 /nfs/dbraw/zinc/91/26/28/673912628.db2.gz GGICSOMSKREBAG-KRWDZBQOSA-N 1 1 351.472 2.235 20 5 FEBDMO CC1(C)[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000603400443 673929745 /nfs/dbraw/zinc/92/97/45/673929745.db2.gz XJGZGUYMWIIEFZ-GHMZBOCLSA-N 1 1 351.432 2.215 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549079374 674015518 /nfs/dbraw/zinc/01/55/18/674015518.db2.gz YYOWTJLJSBCOEL-NSHDSACASA-N 1 1 359.329 2.246 20 5 FEBDMO CCOC(=O)c1sc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)nc1C ZINC000819138209 675263820 /nfs/dbraw/zinc/26/38/20/675263820.db2.gz IJEDAHBNEHNGOY-CYBMUJFWSA-N 1 1 365.411 2.360 20 5 FEBDMO CN(C)CC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000567710356 675315072 /nfs/dbraw/zinc/31/50/72/675315072.db2.gz JQOPFDKNKAOVLM-HNNXBMFYSA-N 1 1 351.447 2.046 20 5 FEBDMO C[NH+](C)CC1(CNC[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000567710356 675315073 /nfs/dbraw/zinc/31/50/73/675315073.db2.gz JQOPFDKNKAOVLM-HNNXBMFYSA-N 1 1 351.447 2.046 20 5 FEBDMO CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000824835544 675624772 /nfs/dbraw/zinc/62/47/72/675624772.db2.gz XASQMVFTJGJEIC-SNVBAGLBSA-N 1 1 371.235 2.106 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000825769641 675668084 /nfs/dbraw/zinc/66/80/84/675668084.db2.gz AKNMFNMPUFDBAC-LBPRGKRZSA-N 1 1 350.394 2.014 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000827121056 675731251 /nfs/dbraw/zinc/73/12/51/675731251.db2.gz XORAALUZUMAEFB-GFCCVEGCSA-N 1 1 370.247 2.264 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000603854364 675801787 /nfs/dbraw/zinc/80/17/87/675801787.db2.gz WKCPFXAYODNAGO-QWHCGFSZSA-N 1 1 370.475 2.178 20 5 FEBDMO Cc1sc(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000604489578 675805300 /nfs/dbraw/zinc/80/53/00/675805300.db2.gz NXVOSOTYRJWRSF-ZDUSSCGKSA-N 1 1 353.444 2.292 20 5 FEBDMO Cc1sc(C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000604489578 675805302 /nfs/dbraw/zinc/80/53/02/675805302.db2.gz NXVOSOTYRJWRSF-ZDUSSCGKSA-N 1 1 353.444 2.292 20 5 FEBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000830022826 677022023 /nfs/dbraw/zinc/02/20/23/677022023.db2.gz NFGNOGCUIIIGAW-GOEBONIOSA-N 1 1 367.446 2.363 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000830452065 677040522 /nfs/dbraw/zinc/04/05/22/677040522.db2.gz XGFVQBVHSZPHEB-SWLSCSKDSA-N 1 1 353.419 2.473 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000839471612 680754793 /nfs/dbraw/zinc/75/47/93/680754793.db2.gz WPHCTLFVHJVCSU-NSHDSACASA-N 1 1 368.821 2.033 20 5 FEBDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000839567118 680762332 /nfs/dbraw/zinc/76/23/32/680762332.db2.gz GOKORNQDHOHBMW-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000748727834 679990019 /nfs/dbraw/zinc/99/00/19/679990019.db2.gz DHUHLKNEUQKOJI-GFCCVEGCSA-N 1 1 350.375 2.273 20 5 FEBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139863 680100997 /nfs/dbraw/zinc/10/09/97/680100997.db2.gz PQOWJKIZGPPSFD-ZHSDAYTOSA-N 1 1 358.225 2.395 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC000981138009 680217129 /nfs/dbraw/zinc/21/71/29/680217129.db2.gz KTPYQALTCBJHFM-HZPDHXFCSA-N 1 1 351.834 2.082 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@H+](CCc2ccc(Cl)cc2)CC1 ZINC000981138009 680217134 /nfs/dbraw/zinc/21/71/34/680217134.db2.gz KTPYQALTCBJHFM-HZPDHXFCSA-N 1 1 351.834 2.082 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC[N@@H+](CCc2ccc(Cl)cc2)CC1 ZINC000981138009 680217136 /nfs/dbraw/zinc/21/71/36/680217136.db2.gz KTPYQALTCBJHFM-HZPDHXFCSA-N 1 1 351.834 2.082 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC000752449587 680243202 /nfs/dbraw/zinc/24/32/02/680243202.db2.gz YVKJSIMXHCEPHY-ZDUSSCGKSA-N 1 1 370.427 2.030 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cccc(F)c2Cl)CC1 ZINC000997770995 680365613 /nfs/dbraw/zinc/36/56/13/680365613.db2.gz FAKJTSIREKMNOM-UKRRQHHQSA-N 1 1 369.824 2.473 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000997768750 680365873 /nfs/dbraw/zinc/36/58/73/680365873.db2.gz JINGCLRIZIZHDR-GDBMZVCRSA-N 1 1 369.824 2.473 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1Cl ZINC000836785145 680513684 /nfs/dbraw/zinc/51/36/84/680513684.db2.gz WVAUMDQKLOMUOQ-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)cc1Cl ZINC000836785145 680513688 /nfs/dbraw/zinc/51/36/88/680513688.db2.gz WVAUMDQKLOMUOQ-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1cccc([N+](=O)[O-])c1Br ZINC000842162771 680929619 /nfs/dbraw/zinc/92/96/19/680929619.db2.gz ICPJOXLEMSUSNT-NWDGAFQWSA-N 1 1 372.263 2.244 20 5 FEBDMO C[C@@H](SC[C@H]1C[N@H+](C)CCO1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000842651595 680957334 /nfs/dbraw/zinc/95/73/34/680957334.db2.gz ALBITVLABXLRPT-ZYHUDNBSSA-N 1 1 357.407 2.125 20 5 FEBDMO C[C@@H](SC[C@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000842651595 680957336 /nfs/dbraw/zinc/95/73/36/680957336.db2.gz ALBITVLABXLRPT-ZYHUDNBSSA-N 1 1 357.407 2.125 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769403674 680981323 /nfs/dbraw/zinc/98/13/23/680981323.db2.gz JUWRBTOLHTXLQL-SNVBAGLBSA-N 1 1 356.220 2.315 20 5 FEBDMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769403674 680981325 /nfs/dbraw/zinc/98/13/25/680981325.db2.gz JUWRBTOLHTXLQL-SNVBAGLBSA-N 1 1 356.220 2.315 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000843310125 680997500 /nfs/dbraw/zinc/99/75/00/680997500.db2.gz KJXBOBYEWFGVFJ-TXEJJXNPSA-N 1 1 354.382 2.307 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000843310125 680997502 /nfs/dbraw/zinc/99/75/02/680997502.db2.gz KJXBOBYEWFGVFJ-TXEJJXNPSA-N 1 1 354.382 2.307 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000769905414 680999894 /nfs/dbraw/zinc/99/98/94/680999894.db2.gz JHRBAVLEVMSMTG-SNVBAGLBSA-N 1 1 361.851 2.177 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1F ZINC000771555072 681059470 /nfs/dbraw/zinc/05/94/70/681059470.db2.gz CVBSVUHBXVUPDZ-GFCCVEGCSA-N 1 1 359.423 2.193 20 5 FEBDMO CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000771562392 681059995 /nfs/dbraw/zinc/05/99/95/681059995.db2.gz NOCOJVIEJVFPRF-LBPRGKRZSA-N 1 1 361.851 2.399 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000771562392 681059998 /nfs/dbraw/zinc/05/99/98/681059998.db2.gz NOCOJVIEJVFPRF-LBPRGKRZSA-N 1 1 361.851 2.399 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000844640213 681069648 /nfs/dbraw/zinc/06/96/48/681069648.db2.gz HFQHXNSXGWAKMO-YUSALJHKSA-N 1 1 350.375 2.365 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@H]2CC1 ZINC000946589098 681243977 /nfs/dbraw/zinc/24/39/77/681243977.db2.gz FYSDVPOSMHEONU-RFXRVCHDSA-N 1 1 362.257 2.141 20 5 FEBDMO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000775206086 681285135 /nfs/dbraw/zinc/28/51/35/681285135.db2.gz UMPJLTZIKNDZGI-UONOGXRCSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000775206086 681285137 /nfs/dbraw/zinc/28/51/37/681285137.db2.gz UMPJLTZIKNDZGI-UONOGXRCSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000775206084 681285428 /nfs/dbraw/zinc/28/54/28/681285428.db2.gz UMPJLTZIKNDZGI-KGLIPLIRSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000775206084 681285429 /nfs/dbraw/zinc/28/54/29/681285429.db2.gz UMPJLTZIKNDZGI-KGLIPLIRSA-N 1 1 358.822 2.094 20 5 FEBDMO CS(=O)(=O)C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000776605220 681415053 /nfs/dbraw/zinc/41/50/53/681415053.db2.gz JNUQQFXWIJQGGC-IAGOWNOFSA-N 1 1 364.423 2.004 20 5 FEBDMO O=C1NCCN1CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000933575324 681436175 /nfs/dbraw/zinc/43/61/75/681436175.db2.gz DUDPSUHZKYGCGB-UHFFFAOYSA-N 1 1 352.822 2.485 20 5 FEBDMO Cn1cc(C[NH2+][C@](C)(CO)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000934493221 681578144 /nfs/dbraw/zinc/57/81/44/681578144.db2.gz JXUIVSPNZJVGRM-CQSZACIVSA-N 1 1 369.219 2.088 20 5 FEBDMO COCC[N@@H+](C)C[C@@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000848674578 681597090 /nfs/dbraw/zinc/59/70/90/681597090.db2.gz GJAOLLKRGVHTSV-LLVKDONJSA-N 1 1 357.457 2.236 20 5 FEBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000912954556 685467841 /nfs/dbraw/zinc/46/78/41/685467841.db2.gz QHGAELMAGWOCLF-UHFFFAOYSA-N 1 1 355.822 2.479 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000849460979 681747276 /nfs/dbraw/zinc/74/72/76/681747276.db2.gz LBYQWTMZELYACZ-GFCCVEGCSA-N 1 1 371.434 2.419 20 5 FEBDMO C[C@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000915970384 685519978 /nfs/dbraw/zinc/51/99/78/685519978.db2.gz SWKSTLSENHZCAS-BBRMVZONSA-N 1 1 353.444 2.061 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000784437300 682226703 /nfs/dbraw/zinc/22/67/03/682226703.db2.gz IHZVQRHNEVYQES-LBPRGKRZSA-N 1 1 368.821 2.434 20 5 FEBDMO COC(=O)[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000787325511 682450721 /nfs/dbraw/zinc/45/07/21/682450721.db2.gz GEPSXOOOHIEQIH-KOLCDFICSA-N 1 1 355.778 2.070 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000787325511 682450724 /nfs/dbraw/zinc/45/07/24/682450724.db2.gz GEPSXOOOHIEQIH-KOLCDFICSA-N 1 1 355.778 2.070 20 5 FEBDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000787325509 682450870 /nfs/dbraw/zinc/45/08/70/682450870.db2.gz GEPSXOOOHIEQIH-GXSJLCMTSA-N 1 1 355.778 2.070 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000787325509 682450872 /nfs/dbraw/zinc/45/08/72/682450872.db2.gz GEPSXOOOHIEQIH-GXSJLCMTSA-N 1 1 355.778 2.070 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000787813634 682480688 /nfs/dbraw/zinc/48/06/88/682480688.db2.gz VOQRGWVGHLFMNT-UHFFFAOYSA-N 1 1 356.810 2.434 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000788913355 682565454 /nfs/dbraw/zinc/56/54/54/682565454.db2.gz NWFFQQJOTFOANE-WCQYABFASA-N 1 1 373.450 2.441 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000854639579 682574014 /nfs/dbraw/zinc/57/40/14/682574014.db2.gz COMLDTARUGXDSK-CABCVRRESA-N 1 1 353.806 2.183 20 5 FEBDMO Cc1sc(C(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1[N+](=O)[O-] ZINC000926181755 683090229 /nfs/dbraw/zinc/09/02/29/683090229.db2.gz CPOLKCRINCOWQR-MDRZDLKXSA-N 1 1 367.471 2.174 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[N@@H+](C)C1CC1 ZINC000795819810 683095029 /nfs/dbraw/zinc/09/50/29/683095029.db2.gz UVOYAVTXBOBBGC-MRVPVSSYSA-N 1 1 365.814 2.148 20 5 FEBDMO CN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796553018 683170630 /nfs/dbraw/zinc/17/06/30/683170630.db2.gz NOCXTSOKOXWBKH-HZPDHXFCSA-N 1 1 351.403 2.181 20 5 FEBDMO CC(C)([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000796578671 683174089 /nfs/dbraw/zinc/17/40/89/683174089.db2.gz WXWRYUWMSHUFIB-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO C[C@H](C[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000860097968 683201700 /nfs/dbraw/zinc/20/17/00/683201700.db2.gz XFAMFPGCJCKJHL-DOMZBBRYSA-N 1 1 353.419 2.473 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798160720 683315982 /nfs/dbraw/zinc/31/59/82/683315982.db2.gz NMGDLVTZFIKLGB-SNVBAGLBSA-N 1 1 371.235 2.214 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928090402 683379550 /nfs/dbraw/zinc/37/95/50/683379550.db2.gz HXVZCQBHECDNAS-CVEARBPZSA-N 1 1 360.439 2.386 20 5 FEBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000861339748 683391427 /nfs/dbraw/zinc/39/14/27/683391427.db2.gz BYMCWVNKKMKPIP-CJNGLKHVSA-N 1 1 354.428 2.339 20 5 FEBDMO CSCCC[N@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000799162534 683431075 /nfs/dbraw/zinc/43/10/75/683431075.db2.gz WMYRDQYVJNZWOP-INIZCTEOSA-N 1 1 366.443 2.004 20 5 FEBDMO CSCCC[N@@H+](C)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000799162534 683431079 /nfs/dbraw/zinc/43/10/79/683431079.db2.gz WMYRDQYVJNZWOP-INIZCTEOSA-N 1 1 366.443 2.004 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861741973 683463886 /nfs/dbraw/zinc/46/38/86/683463886.db2.gz CCEVJBBAJYDNOB-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CN(CCCN(C)C(=O)c1cccc([N+](=O)[O-])c1Cl)CC[NH+](C)C ZINC000861741973 683463890 /nfs/dbraw/zinc/46/38/90/683463890.db2.gz CCEVJBBAJYDNOB-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000862216209 683551470 /nfs/dbraw/zinc/55/14/70/683551470.db2.gz UZPGXHZJXLQHAE-UHFFFAOYSA-N 1 1 353.806 2.185 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000863498085 683734993 /nfs/dbraw/zinc/73/49/93/683734993.db2.gz CXDDVFLKPACMGJ-LBPRGKRZSA-N 1 1 357.357 2.415 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000930922433 683803958 /nfs/dbraw/zinc/80/39/58/683803958.db2.gz JXEHFQXZLHPECR-NSHDSACASA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000930922433 683803964 /nfs/dbraw/zinc/80/39/64/683803964.db2.gz JXEHFQXZLHPECR-NSHDSACASA-N 1 1 366.219 2.471 20 5 FEBDMO O=C1CC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)CC[C@@H]2N1 ZINC000930995310 683815452 /nfs/dbraw/zinc/81/54/52/683815452.db2.gz ANLLNLHQIIVDPC-HZMBPMFUSA-N 1 1 368.231 2.458 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)CC[C@@H]2N1 ZINC000930995310 683815456 /nfs/dbraw/zinc/81/54/56/683815456.db2.gz ANLLNLHQIIVDPC-HZMBPMFUSA-N 1 1 368.231 2.458 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000867680787 684350740 /nfs/dbraw/zinc/35/07/40/684350740.db2.gz GYPLBUNPDHDSMT-UHFFFAOYSA-N 1 1 359.423 2.147 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CCC1(C)C ZINC000871154797 684791658 /nfs/dbraw/zinc/79/16/58/684791658.db2.gz JJXLGCUUIXVBGV-UHFFFAOYSA-N 1 1 367.471 2.236 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000872662242 684999900 /nfs/dbraw/zinc/99/99/00/684999900.db2.gz HAPVKSVRJBFFGF-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO O=[N+]([O-])c1ccc(CN2CC[NH+](CCc3cnccn3)CC2)cc1Cl ZINC000877703419 686440925 /nfs/dbraw/zinc/44/09/25/686440925.db2.gz IHYHCYAUTUHSFK-UHFFFAOYSA-N 1 1 361.833 2.399 20 5 FEBDMO CC[N@@H+]1[C@H](C)CN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000880608016 687066089 /nfs/dbraw/zinc/06/60/89/687066089.db2.gz AWUFEPBDMCKFOT-TXEJJXNPSA-N 1 1 351.403 2.167 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884959220 687975750 /nfs/dbraw/zinc/97/57/50/687975750.db2.gz JVAJMSZUQBZDLY-ZIAGYGMSSA-N 1 1 353.444 2.062 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884959219 687975872 /nfs/dbraw/zinc/97/58/72/687975872.db2.gz JVAJMSZUQBZDLY-UONOGXRCSA-N 1 1 353.444 2.062 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886564336 688275665 /nfs/dbraw/zinc/27/56/65/688275665.db2.gz SZPDZENZRLPXGK-SDDRHHMPSA-N 1 1 351.428 2.225 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000895246671 689683961 /nfs/dbraw/zinc/68/39/61/689683961.db2.gz OZZMNIMGCSWMQH-HZMBPMFUSA-N 1 1 370.837 2.081 20 5 FEBDMO C[C@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895250055 689684770 /nfs/dbraw/zinc/68/47/70/689684770.db2.gz ZWBVSHQCFMSFQU-ZBEGNZNMSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895250055 689684774 /nfs/dbraw/zinc/68/47/74/689684774.db2.gz ZWBVSHQCFMSFQU-ZBEGNZNMSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@H](Nc1c2cc(Cl)ccc2ncc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895250055 689684776 /nfs/dbraw/zinc/68/47/76/689684776.db2.gz ZWBVSHQCFMSFQU-ZBEGNZNMSA-N 1 1 363.849 2.265 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000895576725 689738617 /nfs/dbraw/zinc/73/86/17/689738617.db2.gz QHSVSBALOSZETH-TXEJJXNPSA-N 1 1 368.231 2.267 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000895576725 689738620 /nfs/dbraw/zinc/73/86/20/689738620.db2.gz QHSVSBALOSZETH-TXEJJXNPSA-N 1 1 368.231 2.267 20 5 FEBDMO C[C@H]1[C@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[N@@H+]1C ZINC000895741023 689764118 /nfs/dbraw/zinc/76/41/18/689764118.db2.gz WQXBOZUGVGWIPQ-GXFFZTMASA-N 1 1 363.805 2.299 20 5 FEBDMO C[C@H]1[C@H](Nc2cnn(-c3ccc([N+](=O)[O-])cc3)c(=O)c2Cl)CC[N@H+]1C ZINC000895741023 689764122 /nfs/dbraw/zinc/76/41/22/689764122.db2.gz WQXBOZUGVGWIPQ-GXFFZTMASA-N 1 1 363.805 2.299 20 5 FEBDMO C[C@@H]1[C@H](Nc2nc(N[C@H]3CCN(C)[C@H]3C)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000895741016 689764156 /nfs/dbraw/zinc/76/41/56/689764156.db2.gz WQAQXOJQHRRWFT-WHOHXGKFSA-N 1 1 354.480 2.060 20 5 FEBDMO C[C@@H]1[C@H](Nc2nc(N[C@H]3CCN(C)[C@H]3C)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000895741016 689764161 /nfs/dbraw/zinc/76/41/61/689764161.db2.gz WQAQXOJQHRRWFT-WHOHXGKFSA-N 1 1 354.480 2.060 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896547474 689890663 /nfs/dbraw/zinc/89/06/63/689890663.db2.gz BYJSJBIJUZYVNN-WFASDCNBSA-N 1 1 366.487 2.071 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000907458181 691487742 /nfs/dbraw/zinc/48/77/42/691487742.db2.gz ZNYKSJBNGSXNRG-LLVKDONJSA-N 1 1 372.828 2.143 20 5 FEBDMO COc1cnc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001164790749 721407036 /nfs/dbraw/zinc/40/70/36/721407036.db2.gz XWXXRQIHWVPDOY-RYUDHWBXSA-N 1 1 361.427 2.023 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000027546992 539809448 /nfs/dbraw/zinc/80/94/48/539809448.db2.gz SMVZVWAPGVBWLP-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000027546992 539809453 /nfs/dbraw/zinc/80/94/53/539809453.db2.gz SMVZVWAPGVBWLP-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO C[N@@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000030028966 539873063 /nfs/dbraw/zinc/87/30/63/539873063.db2.gz DFQUJQSUDMPQNV-QGZVFWFLSA-N 1 1 355.394 2.489 20 5 FEBDMO C[N@H+]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000030028966 539873066 /nfs/dbraw/zinc/87/30/66/539873066.db2.gz DFQUJQSUDMPQNV-QGZVFWFLSA-N 1 1 355.394 2.489 20 5 FEBDMO C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000032313966 539934309 /nfs/dbraw/zinc/93/43/09/539934309.db2.gz XPLWRHIQKILEIV-SFHVURJKSA-N 1 1 355.394 2.489 20 5 FEBDMO C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000032313966 539934314 /nfs/dbraw/zinc/93/43/14/539934314.db2.gz XPLWRHIQKILEIV-SFHVURJKSA-N 1 1 355.394 2.489 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000045378049 540211750 /nfs/dbraw/zinc/21/17/50/540211750.db2.gz UKPLCHIUCXAXMG-ZIAGYGMSSA-N 1 1 364.446 2.282 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000045744911 540225134 /nfs/dbraw/zinc/22/51/34/540225134.db2.gz ZUFZWABVJZRHAF-QWHCGFSZSA-N 1 1 355.460 2.302 20 5 FEBDMO COc1ccc(C[N@H+]2CCCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)cc1 ZINC000047331227 540304624 /nfs/dbraw/zinc/30/46/24/540304624.db2.gz OURPNYRESUEIOT-UHFFFAOYSA-N 1 1 359.430 2.358 20 5 FEBDMO CC(=O)NC1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000050992070 540418060 /nfs/dbraw/zinc/41/80/60/540418060.db2.gz MFHBFSBPFSVTFG-LLVKDONJSA-N 1 1 359.386 2.306 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000050995317 540418435 /nfs/dbraw/zinc/41/84/35/540418435.db2.gz GRMLQMNLYBXQGD-CQSZACIVSA-N 1 1 373.413 2.383 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000050995317 540418438 /nfs/dbraw/zinc/41/84/38/540418438.db2.gz GRMLQMNLYBXQGD-CQSZACIVSA-N 1 1 373.413 2.383 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000051043117 540420350 /nfs/dbraw/zinc/42/03/50/540420350.db2.gz DPUOEPBZTUDNQW-KBPBESRZSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000051043117 540420353 /nfs/dbraw/zinc/42/03/53/540420353.db2.gz DPUOEPBZTUDNQW-KBPBESRZSA-N 1 1 362.430 2.160 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929453 540500887 /nfs/dbraw/zinc/50/08/87/540500887.db2.gz NGUVLCZJDYYYOM-HNNXBMFYSA-N 1 1 374.441 2.080 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929453 540500890 /nfs/dbraw/zinc/50/08/90/540500890.db2.gz NGUVLCZJDYYYOM-HNNXBMFYSA-N 1 1 374.441 2.080 20 5 FEBDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000053359579 540528815 /nfs/dbraw/zinc/52/88/15/540528815.db2.gz SAKYYZFQFBQYEX-HNNXBMFYSA-N 1 1 371.441 2.482 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000055644035 540667365 /nfs/dbraw/zinc/66/73/65/540667365.db2.gz CGKQRJSBZGWVDQ-UHFFFAOYSA-N 1 1 360.439 2.360 20 5 FEBDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000058428726 540843124 /nfs/dbraw/zinc/84/31/24/540843124.db2.gz YFDLKXNCTZYUCW-UHFFFAOYSA-N 1 1 369.385 2.193 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000063489965 541170556 /nfs/dbraw/zinc/17/05/56/541170556.db2.gz LZZFCBYZCDFJES-AWEZNQCLSA-N 1 1 357.414 2.241 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000063661209 541177671 /nfs/dbraw/zinc/17/76/71/541177671.db2.gz PKUKSICZOIPSGN-NSHDSACASA-N 1 1 350.350 2.070 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000066124696 541283177 /nfs/dbraw/zinc/28/31/77/541283177.db2.gz KELRVJYQGSHFCM-CYBMUJFWSA-N 1 1 359.430 2.455 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000066641736 541353683 /nfs/dbraw/zinc/35/36/83/541353683.db2.gz GJBCWXRJOFTQIV-ZDUSSCGKSA-N 1 1 363.414 2.216 20 5 FEBDMO CN1CC[NH+](Cc2ccc(C(=O)NCc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000067593911 541485824 /nfs/dbraw/zinc/48/58/24/541485824.db2.gz HSHAEKWXARQDPM-UHFFFAOYSA-N 1 1 368.437 2.272 20 5 FEBDMO CC(C)C[C@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000067722296 541505257 /nfs/dbraw/zinc/50/52/57/541505257.db2.gz RJLMBTQHWZDXQQ-QGZVFWFLSA-N 1 1 364.446 2.141 20 5 FEBDMO O=c1[nH]cnc2cc(NCC[NH+]3Cc4ccccc4C3)c([N+](=O)[O-])cc21 ZINC000068321558 541576868 /nfs/dbraw/zinc/57/68/68/541576868.db2.gz RHCLHGFVUACAST-UHFFFAOYSA-N 1 1 351.366 2.259 20 5 FEBDMO COc1cc(OCC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000068861427 541634869 /nfs/dbraw/zinc/63/48/69/541634869.db2.gz KALDQPUGGRSXPR-KGLIPLIRSA-N 1 1 365.430 2.219 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000068974798 541645792 /nfs/dbraw/zinc/64/57/92/541645792.db2.gz KXLWTKPXJYYCDL-ZDUSSCGKSA-N 1 1 363.414 2.232 20 5 FEBDMO CN1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)Cc2ccccc21 ZINC000069089152 541655902 /nfs/dbraw/zinc/65/59/02/541655902.db2.gz NRSRNOYJURUXNE-UHFFFAOYSA-N 1 1 366.421 2.436 20 5 FEBDMO CN1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)Cc2ccccc21 ZINC000069089152 541655905 /nfs/dbraw/zinc/65/59/05/541655905.db2.gz NRSRNOYJURUXNE-UHFFFAOYSA-N 1 1 366.421 2.436 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000069471038 541687984 /nfs/dbraw/zinc/68/79/84/541687984.db2.gz IGSRGTIJVKDZAK-CQSZACIVSA-N 1 1 371.441 2.457 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069746523 541710762 /nfs/dbraw/zinc/71/07/62/541710762.db2.gz COXLLGMTLIEESM-CYBMUJFWSA-N 1 1 367.833 2.433 20 5 FEBDMO C[NH+]1CCN(C(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000069902415 541723013 /nfs/dbraw/zinc/72/30/13/541723013.db2.gz FWQVDLBHHRWMAT-UHFFFAOYSA-N 1 1 360.336 2.190 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069971596 541728664 /nfs/dbraw/zinc/72/86/64/541728664.db2.gz MMGYGUBXHDMIBF-CYBMUJFWSA-N 1 1 367.833 2.433 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000072858596 541882915 /nfs/dbraw/zinc/88/29/15/541882915.db2.gz NISOCXGQGWLUOJ-GFCCVEGCSA-N 1 1 354.838 2.460 20 5 FEBDMO CCOc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000073991954 542022733 /nfs/dbraw/zinc/02/27/33/542022733.db2.gz BMKJXDNNOSXWQQ-OLZOCXBDSA-N 1 1 363.414 2.311 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000801546641 674134625 /nfs/dbraw/zinc/13/46/25/674134625.db2.gz NRVDOGAJZOHNKO-NWDGAFQWSA-N 1 1 372.263 2.244 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000076478316 542283622 /nfs/dbraw/zinc/28/36/22/542283622.db2.gz LYIQJZLGPAWCBA-HIFRSBDPSA-N 1 1 365.430 2.171 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076481588 542284439 /nfs/dbraw/zinc/28/44/39/542284439.db2.gz JCDVZTMNAMLABX-ABAIWWIYSA-N 1 1 350.375 2.305 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000078209295 542448550 /nfs/dbraw/zinc/44/85/50/542448550.db2.gz SAWRDXWVJIUURI-JGGQBBKZSA-N 1 1 363.389 2.055 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000079795530 542542951 /nfs/dbraw/zinc/54/29/51/542542951.db2.gz RSIRYHNSKFQNSX-JTQLQIEISA-N 1 1 354.204 2.324 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081532691 542663153 /nfs/dbraw/zinc/66/31/53/542663153.db2.gz GCIRGDBINDDDCJ-GOSISDBHSA-N 1 1 368.437 2.400 20 5 FEBDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000089682048 542769192 /nfs/dbraw/zinc/76/91/92/542769192.db2.gz UABNMCQRFCLOLC-QZTJIDSGSA-N 1 1 370.409 2.352 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000089961938 542778111 /nfs/dbraw/zinc/77/81/11/542778111.db2.gz WPNLFAFDOPXAGE-MSOLQXFVSA-N 1 1 369.421 2.268 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000091482602 542810223 /nfs/dbraw/zinc/81/02/23/542810223.db2.gz CEQGXAGYHBJBMN-JTQLQIEISA-N 1 1 352.347 2.043 20 5 FEBDMO CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092705146 542882916 /nfs/dbraw/zinc/88/29/16/542882916.db2.gz WHYSMQDCQMMTTJ-MRXNPFEDSA-N 1 1 371.441 2.486 20 5 FEBDMO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000092664415 542879270 /nfs/dbraw/zinc/87/92/70/542879270.db2.gz FYIODXHNFPMMBK-HOTGVXAUSA-N 1 1 362.474 2.291 20 5 FEBDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000093298347 542924447 /nfs/dbraw/zinc/92/44/47/542924447.db2.gz GBMUQUKNMRSHSF-AWEZNQCLSA-N 1 1 363.414 2.105 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000104755454 543142357 /nfs/dbraw/zinc/14/23/57/543142357.db2.gz SEHYMWUFGUHNJX-UHFFFAOYSA-N 1 1 361.851 2.401 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891113 543253245 /nfs/dbraw/zinc/25/32/45/543253245.db2.gz SDPMXBFWOFXTQW-NSHDSACASA-N 1 1 357.407 2.029 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131087 543315325 /nfs/dbraw/zinc/31/53/25/543315325.db2.gz VZZCERMFEXYGTL-GUYCJALGSA-N 1 1 355.398 2.303 20 5 FEBDMO O=C1[C@@H]([N@H+]2CCC[C@H](c3cc[nH]n3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000109131087 543315327 /nfs/dbraw/zinc/31/53/27/543315327.db2.gz VZZCERMFEXYGTL-GUYCJALGSA-N 1 1 355.398 2.303 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000111610830 543408854 /nfs/dbraw/zinc/40/88/54/543408854.db2.gz OOWDSVJWJXEMAE-UHFFFAOYSA-N 1 1 358.398 2.041 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000112922702 543468723 /nfs/dbraw/zinc/46/87/23/543468723.db2.gz KENVMGSPEMYING-CYBMUJFWSA-N 1 1 368.865 2.252 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000113301318 543483286 /nfs/dbraw/zinc/48/32/86/543483286.db2.gz GKQDLXALOKESSC-HNNXBMFYSA-N 1 1 355.460 2.279 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000115441283 543567330 /nfs/dbraw/zinc/56/73/30/543567330.db2.gz IXIPFMYQPWTULQ-CQSZACIVSA-N 1 1 371.441 2.409 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000115437171 543567685 /nfs/dbraw/zinc/56/76/85/543567685.db2.gz WEGAUXXWHFHZPH-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO CC1CCC([N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]2CCCO2)CC1 ZINC000247468749 549338633 /nfs/dbraw/zinc/33/86/33/549338633.db2.gz JBGMIQSOGDAPFR-UQVLAFNGSA-N 1 1 366.462 2.212 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000123787410 543782535 /nfs/dbraw/zinc/78/25/35/543782535.db2.gz GZXLSNJULRQZDG-CZUORRHYSA-N 1 1 357.414 2.335 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000124836630 543845675 /nfs/dbraw/zinc/84/56/75/543845675.db2.gz XQGUWSZBQZVXJT-FZMZJTMJSA-N 1 1 363.443 2.203 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125572812 543888998 /nfs/dbraw/zinc/88/89/98/543888998.db2.gz UNHHDUWUDRTBKR-RHSMWYFYSA-N 1 1 374.441 2.222 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000125995909 543912203 /nfs/dbraw/zinc/91/22/03/543912203.db2.gz TZEJDXJYMDECSP-UKRRQHHQSA-N 1 1 357.414 2.111 20 5 FEBDMO CCOc1cc(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000127183711 543977400 /nfs/dbraw/zinc/97/74/00/543977400.db2.gz XLMIFDQYNMOURO-TXEJJXNPSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000127183711 543977402 /nfs/dbraw/zinc/97/74/02/543977402.db2.gz XLMIFDQYNMOURO-TXEJJXNPSA-N 1 1 351.403 2.167 20 5 FEBDMO CCCc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636677 543948246 /nfs/dbraw/zinc/94/82/46/543948246.db2.gz ZVSFFWKBCYWUMT-SWLSCSKDSA-N 1 1 361.446 2.359 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636677 543948248 /nfs/dbraw/zinc/94/82/48/543948248.db2.gz ZVSFFWKBCYWUMT-SWLSCSKDSA-N 1 1 361.446 2.359 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636677 543948249 /nfs/dbraw/zinc/94/82/49/543948249.db2.gz ZVSFFWKBCYWUMT-SWLSCSKDSA-N 1 1 361.446 2.359 20 5 FEBDMO CCc1nn(C)c(NCC2(N3CCCCC3)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000126865003 543960450 /nfs/dbraw/zinc/96/04/50/543960450.db2.gz MHAKXLCHPGYOFP-UHFFFAOYSA-N 1 1 364.494 2.253 20 5 FEBDMO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000128805178 544074081 /nfs/dbraw/zinc/07/40/81/544074081.db2.gz DSWJHIJYRHAXPX-UHFFFAOYSA-N 1 1 370.409 2.301 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000128553609 544058708 /nfs/dbraw/zinc/05/87/08/544058708.db2.gz UKIXOOXWDATOOZ-CZUORRHYSA-N 1 1 364.446 2.475 20 5 FEBDMO CCC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000131201429 544179825 /nfs/dbraw/zinc/17/98/25/544179825.db2.gz VEDAZXGSTVHJKO-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO CCC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000131201429 544179827 /nfs/dbraw/zinc/17/98/27/544179827.db2.gz VEDAZXGSTVHJKO-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000130927847 544170612 /nfs/dbraw/zinc/17/06/12/544170612.db2.gz HPZQOJAPVKKJGS-HNNXBMFYSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000130927847 544170614 /nfs/dbraw/zinc/17/06/14/544170614.db2.gz HPZQOJAPVKKJGS-HNNXBMFYSA-N 1 1 365.430 2.176 20 5 FEBDMO CCOC(=O)c1ccnc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000132555809 544235201 /nfs/dbraw/zinc/23/52/01/544235201.db2.gz SALLVZPSQJZRDH-ZDUSSCGKSA-N 1 1 373.413 2.359 20 5 FEBDMO COC(=O)[C@@H]1C[C@H](c2ccccc2)C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000135452648 544347481 /nfs/dbraw/zinc/34/74/81/544347481.db2.gz GOCCZKMUQRWVGK-JKSUJKDBSA-N 1 1 358.398 2.070 20 5 FEBDMO CC[C@]1(C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCO1 ZINC000135741855 544360162 /nfs/dbraw/zinc/36/01/62/544360162.db2.gz GEXVFCMKZTVGJR-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136028058 544365254 /nfs/dbraw/zinc/36/52/54/544365254.db2.gz ROPWFSNBULMBDN-AWEZNQCLSA-N 1 1 357.414 2.385 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139652460 544404101 /nfs/dbraw/zinc/40/41/01/544404101.db2.gz KFGMZFYOZSHMHG-ZDUSSCGKSA-N 1 1 355.822 2.215 20 5 FEBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000136548538 544374642 /nfs/dbraw/zinc/37/46/42/544374642.db2.gz KCEMGYQVJMMNBH-BETUJISGSA-N 1 1 353.394 2.353 20 5 FEBDMO Cc1nn(CCC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)c(C)c1[N+](=O)[O-] ZINC000152513733 544663655 /nfs/dbraw/zinc/66/36/55/544663655.db2.gz HOXYZIOUMPELKG-CYBMUJFWSA-N 1 1 363.462 2.274 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000153007640 544722343 /nfs/dbraw/zinc/72/23/43/544722343.db2.gz VNXWVFLTRSDQJI-QWHCGFSZSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCSCC1 ZINC000152869138 544705383 /nfs/dbraw/zinc/70/53/83/544705383.db2.gz JTPHQBLJARIBFY-CQSZACIVSA-N 1 1 351.472 2.471 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1C ZINC000152874316 544705515 /nfs/dbraw/zinc/70/55/15/544705515.db2.gz CWPYYBONVCZOQR-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000152918249 544711949 /nfs/dbraw/zinc/71/19/49/544711949.db2.gz KDDJIMQZJFBVFS-KBPBESRZSA-N 1 1 353.444 2.008 20 5 FEBDMO CCCC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000153501503 544783718 /nfs/dbraw/zinc/78/37/18/544783718.db2.gz WWGQBRNSODKKPO-UHFFFAOYSA-N 1 1 374.235 2.390 20 5 FEBDMO CCCC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000153501503 544783722 /nfs/dbraw/zinc/78/37/22/544783722.db2.gz WWGQBRNSODKKPO-UHFFFAOYSA-N 1 1 374.235 2.390 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000187171056 328006450 /nfs/dbraw/zinc/00/64/50/328006450.db2.gz VHOWZTDTZHVFDN-XJKSGUPXSA-N 1 1 370.409 2.478 20 5 FEBDMO CSc1cccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000188662393 328102635 /nfs/dbraw/zinc/10/26/35/328102635.db2.gz HZZIISNPYOKHHN-GFCCVEGCSA-N 1 1 367.471 2.234 20 5 FEBDMO CSc1cccc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000188662393 328102637 /nfs/dbraw/zinc/10/26/37/328102637.db2.gz HZZIISNPYOKHHN-GFCCVEGCSA-N 1 1 367.471 2.234 20 5 FEBDMO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188728174 328107264 /nfs/dbraw/zinc/10/72/64/328107264.db2.gz PDRKUCLAWDZIDC-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188728174 328107265 /nfs/dbraw/zinc/10/72/65/328107265.db2.gz PDRKUCLAWDZIDC-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189284883 328139042 /nfs/dbraw/zinc/13/90/42/328139042.db2.gz UJZIJNYQFHRJGH-ZDUSSCGKSA-N 1 1 350.419 2.098 20 5 FEBDMO CC1(C)C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000190204627 328194148 /nfs/dbraw/zinc/19/41/48/328194148.db2.gz XBIFHGIYYFPQBV-RYUDHWBXSA-N 1 1 350.341 2.063 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000190346851 328201661 /nfs/dbraw/zinc/20/16/61/328201661.db2.gz VDTXMRBXDQETLM-HUUCEWRRSA-N 1 1 374.441 2.235 20 5 FEBDMO CCc1n[nH]c(C2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000190657154 328222662 /nfs/dbraw/zinc/22/26/62/328222662.db2.gz SRYYJCYVTUJHJQ-UHFFFAOYSA-N 1 1 372.429 2.118 20 5 FEBDMO CCc1nnc(C2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000190657154 328222663 /nfs/dbraw/zinc/22/26/63/328222663.db2.gz SRYYJCYVTUJHJQ-UHFFFAOYSA-N 1 1 372.429 2.118 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)n1 ZINC000191525774 328269744 /nfs/dbraw/zinc/26/97/44/328269744.db2.gz GLUIIHDMORQNIY-LLVKDONJSA-N 1 1 363.443 2.049 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)n1 ZINC000191525774 328269745 /nfs/dbraw/zinc/26/97/45/328269745.db2.gz GLUIIHDMORQNIY-LLVKDONJSA-N 1 1 363.443 2.049 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000191987809 328291995 /nfs/dbraw/zinc/29/19/95/328291995.db2.gz BMXVUFRVVQSOHG-ZIAGYGMSSA-N 1 1 355.460 2.315 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000193870504 328399829 /nfs/dbraw/zinc/39/98/29/328399829.db2.gz RHJODCNMGAMJMK-AWEZNQCLSA-N 1 1 364.402 2.047 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000193870504 328399830 /nfs/dbraw/zinc/39/98/30/328399830.db2.gz RHJODCNMGAMJMK-AWEZNQCLSA-N 1 1 364.402 2.047 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000090460151 325359086 /nfs/dbraw/zinc/35/90/86/325359086.db2.gz AFQCLMBRWMCOPA-HIFRSBDPSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000090460151 325359087 /nfs/dbraw/zinc/35/90/87/325359087.db2.gz AFQCLMBRWMCOPA-HIFRSBDPSA-N 1 1 353.806 2.231 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000090551952 325362513 /nfs/dbraw/zinc/36/25/13/325362513.db2.gz MZCNJYPBOIQTSW-ZFWWWQNUSA-N 1 1 363.439 2.406 20 5 FEBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000090551425 325362638 /nfs/dbraw/zinc/36/26/38/325362638.db2.gz OOMWUAUBGVRDDT-GOSISDBHSA-N 1 1 370.453 2.353 20 5 FEBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000090551425 325362640 /nfs/dbraw/zinc/36/26/40/325362640.db2.gz OOMWUAUBGVRDDT-GOSISDBHSA-N 1 1 370.453 2.353 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000090551425 325362641 /nfs/dbraw/zinc/36/26/41/325362641.db2.gz OOMWUAUBGVRDDT-GOSISDBHSA-N 1 1 370.453 2.353 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000090550879 325362811 /nfs/dbraw/zinc/36/28/11/325362811.db2.gz OBXAVXZKZURNRW-QGZVFWFLSA-N 1 1 357.410 2.295 20 5 FEBDMO CCCc1n[nH]c(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c1[N+](=O)[O-] ZINC000116982480 326045827 /nfs/dbraw/zinc/04/58/27/326045827.db2.gz HALFNDUARPNDOF-UHFFFAOYSA-N 1 1 372.429 2.373 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000118842463 326107135 /nfs/dbraw/zinc/10/71/35/326107135.db2.gz WUUZYELBAQXAIV-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000118842463 326107137 /nfs/dbraw/zinc/10/71/37/326107137.db2.gz WUUZYELBAQXAIV-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)n2)c1 ZINC000119131891 326130423 /nfs/dbraw/zinc/13/04/23/326130423.db2.gz RYEIRFJUHMESGP-ZDUSSCGKSA-N 1 1 369.385 2.149 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)n2)c1 ZINC000119131891 326130425 /nfs/dbraw/zinc/13/04/25/326130425.db2.gz RYEIRFJUHMESGP-ZDUSSCGKSA-N 1 1 369.385 2.149 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])C1 ZINC000121099680 326313141 /nfs/dbraw/zinc/31/31/41/326313141.db2.gz XBXGCHMMHUKEJJ-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000121723247 326361776 /nfs/dbraw/zinc/36/17/76/326361776.db2.gz NEESGUHXPWPMKD-JTQLQIEISA-N 1 1 356.220 2.347 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000121970237 326378941 /nfs/dbraw/zinc/37/89/41/326378941.db2.gz GRBQEERAUDKRSA-GOEBONIOSA-N 1 1 374.441 2.093 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000122426073 326396558 /nfs/dbraw/zinc/39/65/58/326396558.db2.gz ZEMJDCRQXPOKIC-AAEUAGOBSA-N 1 1 373.862 2.353 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(F)c([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000153941973 326746997 /nfs/dbraw/zinc/74/69/97/326746997.db2.gz HXYUQMJLZDXZOE-QWRGUYRKSA-N 1 1 371.384 2.491 20 5 FEBDMO C[C@@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000155166530 326779820 /nfs/dbraw/zinc/77/98/20/326779820.db2.gz FTRGDSFXKPDOOK-CYBMUJFWSA-N 1 1 365.405 2.497 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000157492847 326866878 /nfs/dbraw/zinc/86/68/78/326866878.db2.gz AGHKGZJGEFIIOI-ZDUSSCGKSA-N 1 1 360.418 2.147 20 5 FEBDMO Cc1c(CC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000160317662 326961452 /nfs/dbraw/zinc/96/14/52/326961452.db2.gz NZPFTFUFEMMBNP-KRWDZBQOSA-N 1 1 363.458 2.309 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000162343131 327023259 /nfs/dbraw/zinc/02/32/59/327023259.db2.gz TYLLYYUFZNGKQB-TXEJJXNPSA-N 1 1 359.386 2.179 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2)C[C@H](C)O1 ZINC000162343131 327023260 /nfs/dbraw/zinc/02/32/60/327023260.db2.gz TYLLYYUFZNGKQB-TXEJJXNPSA-N 1 1 359.386 2.179 20 5 FEBDMO CCc1n[nH]c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000171400818 327136902 /nfs/dbraw/zinc/13/69/02/327136902.db2.gz VKMVKSSNZDESGS-UHFFFAOYSA-N 1 1 371.441 2.447 20 5 FEBDMO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000172358695 327197798 /nfs/dbraw/zinc/19/77/98/327197798.db2.gz ZPPGYRUFXOUIFW-YJBOKZPZSA-N 1 1 369.425 2.306 20 5 FEBDMO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000172358695 327197799 /nfs/dbraw/zinc/19/77/99/327197799.db2.gz ZPPGYRUFXOUIFW-YJBOKZPZSA-N 1 1 369.425 2.306 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000173284867 327246771 /nfs/dbraw/zinc/24/67/71/327246771.db2.gz YNCXELQACSXUQI-ZBFHGGJFSA-N 1 1 374.441 2.315 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000173829655 327287075 /nfs/dbraw/zinc/28/70/75/327287075.db2.gz PAKPJOBDPZFBIK-UKRRQHHQSA-N 1 1 353.444 2.151 20 5 FEBDMO CN1CC[NH+](CCOc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 ZINC000174042270 327303525 /nfs/dbraw/zinc/30/35/25/327303525.db2.gz ZEZBFASKEUEKHQ-UHFFFAOYSA-N 1 1 374.397 2.066 20 5 FEBDMO C[N@@H+](Cc1ccccc1Br)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654380 327341747 /nfs/dbraw/zinc/34/17/47/327341747.db2.gz AYPYLURMETXIEZ-CYBMUJFWSA-N 1 1 369.219 2.047 20 5 FEBDMO C[N@H+](Cc1ccccc1Br)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654380 327341748 /nfs/dbraw/zinc/34/17/48/327341748.db2.gz AYPYLURMETXIEZ-CYBMUJFWSA-N 1 1 369.219 2.047 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1 ZINC000261601141 328804437 /nfs/dbraw/zinc/80/44/37/328804437.db2.gz ACJRARODMKJPQI-MRXNPFEDSA-N 1 1 365.386 2.069 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000264663727 329045957 /nfs/dbraw/zinc/04/59/57/329045957.db2.gz JLDMWURYTLODAM-ZDUSSCGKSA-N 1 1 373.413 2.132 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000265753090 329156879 /nfs/dbraw/zinc/15/68/79/329156879.db2.gz XHLJWSROKZOGGR-UONOGXRCSA-N 1 1 367.471 2.160 20 5 FEBDMO COc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000266818015 329262514 /nfs/dbraw/zinc/26/25/14/329262514.db2.gz XIABUWWWCQTWIJ-JSGCOSHPSA-N 1 1 350.419 2.228 20 5 FEBDMO CC[N@H+](CCCO)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266868766 329267633 /nfs/dbraw/zinc/26/76/33/329267633.db2.gz OPHDNFAFSHTIOR-UHFFFAOYSA-N 1 1 364.427 2.361 20 5 FEBDMO CC[N@@H+](CCCO)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266868766 329267635 /nfs/dbraw/zinc/26/76/35/329267635.db2.gz OPHDNFAFSHTIOR-UHFFFAOYSA-N 1 1 364.427 2.361 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000267037914 329285633 /nfs/dbraw/zinc/28/56/33/329285633.db2.gz VDQSAOSKNYNLHN-CYBMUJFWSA-N 1 1 351.403 2.168 20 5 FEBDMO NC(=O)CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000270982869 329651740 /nfs/dbraw/zinc/65/17/40/329651740.db2.gz ABZBREPUKLPSQV-UHFFFAOYSA-N 1 1 368.821 2.164 20 5 FEBDMO COC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000271855461 329731144 /nfs/dbraw/zinc/73/11/44/329731144.db2.gz XNJKFLWAHFNQGG-CQSZACIVSA-N 1 1 373.365 2.239 20 5 FEBDMO COc1ccccc1-c1noc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)n1 ZINC000273266139 329850488 /nfs/dbraw/zinc/85/04/88/329850488.db2.gz FLWQPPBWDJBYEI-NSHDSACASA-N 1 1 358.358 2.201 20 5 FEBDMO O=C(NCC[N@H+]1CCCOCC1)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000275909432 330102309 /nfs/dbraw/zinc/10/23/09/330102309.db2.gz VJMYVRZZQYDADS-UHFFFAOYSA-N 1 1 374.344 2.040 20 5 FEBDMO COC(=O)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000276461847 330154661 /nfs/dbraw/zinc/15/46/61/330154661.db2.gz WUYVSAXXNVVUIU-NHYWBVRUSA-N 1 1 350.371 2.092 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000276461847 330154663 /nfs/dbraw/zinc/15/46/63/330154663.db2.gz WUYVSAXXNVVUIU-NHYWBVRUSA-N 1 1 350.371 2.092 20 5 FEBDMO CC(=O)c1ccc(N2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000367199953 330229220 /nfs/dbraw/zinc/22/92/20/330229220.db2.gz FOEQURCXUXNGAB-PBHICJAKSA-N 1 1 360.458 2.260 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cn1 ZINC000371451826 330243025 /nfs/dbraw/zinc/24/30/25/330243025.db2.gz LLRJQVFZBQSRMW-UHFFFAOYSA-N 1 1 370.344 2.135 20 5 FEBDMO O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000375786740 330251448 /nfs/dbraw/zinc/25/14/48/330251448.db2.gz FKYDSGAAOKOQLG-DOTOQJQBSA-N 1 1 363.414 2.464 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000155524477 545536595 /nfs/dbraw/zinc/53/65/95/545536595.db2.gz RJFRRNZWGPRKEL-AWEZNQCLSA-N 1 1 362.430 2.018 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155544967 545540668 /nfs/dbraw/zinc/54/06/68/545540668.db2.gz AZBMWQGLQFFYJX-WOSRLPQWSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155544967 545540672 /nfs/dbraw/zinc/54/06/72/545540672.db2.gz AZBMWQGLQFFYJX-WOSRLPQWSA-N 1 1 363.414 2.431 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000156000366 545590863 /nfs/dbraw/zinc/59/08/63/545590863.db2.gz RLNDTVULDCYLCF-GUYCJALGSA-N 1 1 372.425 2.009 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)C2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000156285749 545614585 /nfs/dbraw/zinc/61/45/85/545614585.db2.gz YSCNWRGINLUNEK-UHFFFAOYSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@H](O)C[C@@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156930890 545678130 /nfs/dbraw/zinc/67/81/30/545678130.db2.gz BQNJEFTWONICKD-XJKSGUPXSA-N 1 1 361.398 2.264 20 5 FEBDMO C[C@H](O)C[C@@H]1COCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156930890 545678138 /nfs/dbraw/zinc/67/81/38/545678138.db2.gz BQNJEFTWONICKD-XJKSGUPXSA-N 1 1 361.398 2.264 20 5 FEBDMO O=C(CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)Nc1cccnc1 ZINC000478221000 561162450 /nfs/dbraw/zinc/16/24/50/561162450.db2.gz AWROCMMTCZZBRB-UHFFFAOYSA-N 1 1 355.398 2.141 20 5 FEBDMO NC(=O)CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000170737922 546174560 /nfs/dbraw/zinc/17/45/60/546174560.db2.gz PQVIHUWAGYHZRV-LBPRGKRZSA-N 1 1 359.386 2.122 20 5 FEBDMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000170737922 546174564 /nfs/dbraw/zinc/17/45/64/546174564.db2.gz PQVIHUWAGYHZRV-LBPRGKRZSA-N 1 1 359.386 2.122 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177036943 546529066 /nfs/dbraw/zinc/52/90/66/546529066.db2.gz JGVCBHQSYMMFDK-OCCSQVGLSA-N 1 1 355.398 2.136 20 5 FEBDMO CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000177126295 546549858 /nfs/dbraw/zinc/54/98/58/546549858.db2.gz KBWYOHFZAPJVFN-HOTGVXAUSA-N 1 1 361.398 2.488 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000481031213 561223461 /nfs/dbraw/zinc/22/34/61/561223461.db2.gz AMZIEOZSDIGHMR-GFCCVEGCSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])nn2C)cc1 ZINC000481775846 561241804 /nfs/dbraw/zinc/24/18/04/561241804.db2.gz FLTOTXCATGBALV-NSHDSACASA-N 1 1 354.370 2.313 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000179656201 546992817 /nfs/dbraw/zinc/99/28/17/546992817.db2.gz YZYQOQXQEUOVIN-OAHLLOKOSA-N 1 1 357.414 2.445 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000179656201 546992820 /nfs/dbraw/zinc/99/28/20/546992820.db2.gz YZYQOQXQEUOVIN-OAHLLOKOSA-N 1 1 357.414 2.445 20 5 FEBDMO CCC[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000179659225 546993677 /nfs/dbraw/zinc/99/36/77/546993677.db2.gz DMWZPQHITXGPMX-KRWDZBQOSA-N 1 1 371.441 2.304 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000181407421 547309102 /nfs/dbraw/zinc/30/91/02/547309102.db2.gz CSRASALXWWFYRE-ZDUSSCGKSA-N 1 1 370.475 2.309 20 5 FEBDMO CNC(=O)C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000483416981 561276672 /nfs/dbraw/zinc/27/66/72/561276672.db2.gz HKKCSQRVZQAGCJ-HNNXBMFYSA-N 1 1 353.382 2.438 20 5 FEBDMO COC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000181673595 547357766 /nfs/dbraw/zinc/35/77/66/547357766.db2.gz REFIWYCKWREYQW-QGZVFWFLSA-N 1 1 355.394 2.461 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182535985 547509351 /nfs/dbraw/zinc/50/93/51/547509351.db2.gz DGTCULDPFDWCDD-CQSZACIVSA-N 1 1 359.430 2.127 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183439256 547658615 /nfs/dbraw/zinc/65/86/15/547658615.db2.gz MSNUEVJHLZPNCA-GOSISDBHSA-N 1 1 369.421 2.400 20 5 FEBDMO CC(C)(C)Oc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000484728936 561304567 /nfs/dbraw/zinc/30/45/67/561304567.db2.gz MJIORCGXUJCAAD-GOSISDBHSA-N 1 1 367.446 2.267 20 5 FEBDMO CCN(C(=O)c1c([N+](=O)[O-])cnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184174473 547781048 /nfs/dbraw/zinc/78/10/48/547781048.db2.gz FIPQEGNOAZADOS-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000184350463 547811483 /nfs/dbraw/zinc/81/14/83/547811483.db2.gz YUHMHJSEDGIXDT-GFCCVEGCSA-N 1 1 354.838 2.004 20 5 FEBDMO C[C@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1)[NH+]1CCOCC1 ZINC000184391193 547818270 /nfs/dbraw/zinc/81/82/70/547818270.db2.gz WNIVGKWJXUDYAX-GFCCVEGCSA-N 1 1 371.397 2.218 20 5 FEBDMO COC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184631450 547857802 /nfs/dbraw/zinc/85/78/02/547857802.db2.gz AIMUKKBFCXNVND-GOEBONIOSA-N 1 1 350.371 2.213 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184656624 547861879 /nfs/dbraw/zinc/86/18/79/547861879.db2.gz QZQCYQNHMDTJOP-QLFBSQMISA-N 1 1 369.487 2.381 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000186338188 548121950 /nfs/dbraw/zinc/12/19/50/548121950.db2.gz WVAMTMURVMGVCE-YKBBIGDRSA-N 1 1 374.485 2.388 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000186840945 548203906 /nfs/dbraw/zinc/20/39/06/548203906.db2.gz CRYSSGCYSTVXFB-GWCFXTLKSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000186840945 548203910 /nfs/dbraw/zinc/20/39/10/548203910.db2.gz CRYSSGCYSTVXFB-GWCFXTLKSA-N 1 1 360.357 2.450 20 5 FEBDMO CCOCCC[N@@H+]1CC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187013472 548240713 /nfs/dbraw/zinc/24/07/13/548240713.db2.gz MRHDLUHMLFHKQE-LZQZEXGQSA-N 1 1 365.474 2.355 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187013472 548240718 /nfs/dbraw/zinc/24/07/18/548240718.db2.gz MRHDLUHMLFHKQE-LZQZEXGQSA-N 1 1 365.474 2.355 20 5 FEBDMO CCOCCCN1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187013472 548240724 /nfs/dbraw/zinc/24/07/24/548240724.db2.gz MRHDLUHMLFHKQE-LZQZEXGQSA-N 1 1 365.474 2.355 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000193895675 548401885 /nfs/dbraw/zinc/40/18/85/548401885.db2.gz ZFOTWYZEMFGUJE-ZDUSSCGKSA-N 1 1 365.821 2.323 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246407610 549126775 /nfs/dbraw/zinc/12/67/75/549126775.db2.gz QOAUUHXPNNTJMN-GUYCJALGSA-N 1 1 365.455 2.232 20 5 FEBDMO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488641712 561393669 /nfs/dbraw/zinc/39/36/69/561393669.db2.gz FFMAWPVVFAAOKJ-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000488641712 561393670 /nfs/dbraw/zinc/39/36/70/561393670.db2.gz FFMAWPVVFAAOKJ-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000488639863 561393731 /nfs/dbraw/zinc/39/37/31/561393731.db2.gz HNZWCCMWZYUZIW-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOC(=O)c1ccnc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488724858 561395376 /nfs/dbraw/zinc/39/53/76/561395376.db2.gz ZQCOVAQKPRRWNH-VNHYZAJKSA-N 1 1 362.430 2.333 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)CC[C@H]21 ZINC000246890551 549236579 /nfs/dbraw/zinc/23/65/79/549236579.db2.gz MANYGCVNZMMOLW-ZTFGCOKTSA-N 1 1 358.442 2.116 20 5 FEBDMO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248414367 549433097 /nfs/dbraw/zinc/43/30/97/549433097.db2.gz GVYGBZMQNNNQQL-UKRRQHHQSA-N 1 1 350.419 2.454 20 5 FEBDMO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248414367 549433101 /nfs/dbraw/zinc/43/31/01/549433101.db2.gz GVYGBZMQNNNQQL-UKRRQHHQSA-N 1 1 350.419 2.454 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000248454780 549442037 /nfs/dbraw/zinc/44/20/37/549442037.db2.gz KMELUXVLZOCLBA-SJLPKXTDSA-N 1 1 372.421 2.316 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000249227591 549570258 /nfs/dbraw/zinc/57/02/58/549570258.db2.gz VDTXMRBXDQETLM-CABCVRRESA-N 1 1 374.441 2.235 20 5 FEBDMO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 ZINC000489919822 561422367 /nfs/dbraw/zinc/42/23/67/561422367.db2.gz XKVASOXYBNHGAF-HNNXBMFYSA-N 1 1 372.425 2.072 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C3OCCO3)C2)cccc1[N+](=O)[O-] ZINC000263667972 549916262 /nfs/dbraw/zinc/91/62/62/549916262.db2.gz LJXDKOSYCFROFY-AWEZNQCLSA-N 1 1 363.414 2.317 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)NCCn2cc[nH+]c2C)cc1SC ZINC000264025031 549969534 /nfs/dbraw/zinc/96/95/34/549969534.db2.gz KTDUXZILWKYSBT-UHFFFAOYSA-N 1 1 350.400 2.260 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c2c(c1)COCO2 ZINC000268958862 550137502 /nfs/dbraw/zinc/13/75/02/550137502.db2.gz HTMHMOWFKATJCY-CABCVRRESA-N 1 1 352.412 2.168 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c2c(c1)COCO2 ZINC000268958862 550137503 /nfs/dbraw/zinc/13/75/03/550137503.db2.gz HTMHMOWFKATJCY-CABCVRRESA-N 1 1 352.412 2.168 20 5 FEBDMO COc1ccc(OCC[N@H+](CCS(C)(=O)=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000269263893 550173797 /nfs/dbraw/zinc/17/37/97/550173797.db2.gz FODQIFURBPONQN-UHFFFAOYSA-N 1 1 374.459 2.127 20 5 FEBDMO COc1ccc(OCC[N@@H+](CCS(C)(=O)=O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000269263893 550173799 /nfs/dbraw/zinc/17/37/99/550173799.db2.gz FODQIFURBPONQN-UHFFFAOYSA-N 1 1 374.459 2.127 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000272287615 550434640 /nfs/dbraw/zinc/43/46/40/550434640.db2.gz UYMDHVZCULTBQV-GWCFXTLKSA-N 1 1 361.427 2.156 20 5 FEBDMO O=C(Cn1c[nH+]c2c1CCCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272292770 550435325 /nfs/dbraw/zinc/43/53/25/550435325.db2.gz VNQYQSCDSVCSFR-UHFFFAOYSA-N 1 1 369.425 2.019 20 5 FEBDMO CC[N@@H+]1CC[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000272819328 550471983 /nfs/dbraw/zinc/47/19/83/550471983.db2.gz IMRAUIBZTPJCDA-WDEREUQCSA-N 1 1 361.489 2.226 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000272819328 550471985 /nfs/dbraw/zinc/47/19/85/550471985.db2.gz IMRAUIBZTPJCDA-WDEREUQCSA-N 1 1 361.489 2.226 20 5 FEBDMO C[C@H](NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1)C1=CC[N@@H+](C)CC1 ZINC000272969750 550479138 /nfs/dbraw/zinc/47/91/38/550479138.db2.gz OHPHFWUTIWMPEK-HNNXBMFYSA-N 1 1 373.457 2.077 20 5 FEBDMO Cc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000273127225 550486293 /nfs/dbraw/zinc/48/62/93/550486293.db2.gz SQIOWHDBOUIGJL-UHFFFAOYSA-N 1 1 350.404 2.102 20 5 FEBDMO Cc1[nH]nc(C(=O)Nc2nc3c(s2)C[N@@H+](C(C)C)CC3)c1[N+](=O)[O-] ZINC000273127225 550486295 /nfs/dbraw/zinc/48/62/95/550486295.db2.gz SQIOWHDBOUIGJL-UHFFFAOYSA-N 1 1 350.404 2.102 20 5 FEBDMO Cn1cc([C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]2CO)cn1 ZINC000277727278 550707101 /nfs/dbraw/zinc/70/71/01/550707101.db2.gz JQLNESHYGQSJLW-ZFWWWQNUSA-N 1 1 350.806 2.190 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000278555887 550798772 /nfs/dbraw/zinc/79/87/72/550798772.db2.gz MBRDKTSFWLCVFE-QWHCGFSZSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1nc(F)ccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000278874202 550831421 /nfs/dbraw/zinc/83/14/21/550831421.db2.gz YWYPBDXYXSIEDZ-UHFFFAOYSA-N 1 1 353.375 2.001 20 5 FEBDMO Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000279174856 550861775 /nfs/dbraw/zinc/86/17/75/550861775.db2.gz APXIMWYDKJPCSO-YJBOKZPZSA-N 1 1 361.421 2.373 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000279342863 550879833 /nfs/dbraw/zinc/87/98/33/550879833.db2.gz PXHUDKWANMJAFF-PXAZEXFGSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000279798551 550929903 /nfs/dbraw/zinc/92/99/03/550929903.db2.gz OWUMSQXJTKTSDQ-CQSZACIVSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000279798551 550929905 /nfs/dbraw/zinc/92/99/05/550929905.db2.gz OWUMSQXJTKTSDQ-CQSZACIVSA-N 1 1 360.357 2.450 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000279854459 550936125 /nfs/dbraw/zinc/93/61/25/550936125.db2.gz PFCOWLZGQDPSMH-ZUZCIYMTSA-N 1 1 355.797 2.482 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000282279831 551205307 /nfs/dbraw/zinc/20/53/07/551205307.db2.gz YUJOLIFYSPENLR-LBPRGKRZSA-N 1 1 369.368 2.057 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1CNCCN1CC[N@H+](C)C(C)(C)C1 ZINC000282417314 551225840 /nfs/dbraw/zinc/22/58/40/551225840.db2.gz QOCRBUYVZMOCBE-UHFFFAOYSA-N 1 1 350.463 2.109 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1CNCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282417314 551225842 /nfs/dbraw/zinc/22/58/42/551225842.db2.gz QOCRBUYVZMOCBE-UHFFFAOYSA-N 1 1 350.463 2.109 20 5 FEBDMO CS(=O)(=O)c1cccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000497536865 561503298 /nfs/dbraw/zinc/50/32/98/561503298.db2.gz DPNHDVLFEQLPNG-NSHDSACASA-N 1 1 350.400 2.105 20 5 FEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000282667719 551257436 /nfs/dbraw/zinc/25/74/36/551257436.db2.gz IYPWFCWBVNYNQE-PIGZYNQJSA-N 1 1 360.370 2.276 20 5 FEBDMO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285176800 551715767 /nfs/dbraw/zinc/71/57/67/551715767.db2.gz BLDJFIILWUKOJM-GFCCVEGCSA-N 1 1 350.419 2.082 20 5 FEBDMO C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285176800 551715769 /nfs/dbraw/zinc/71/57/69/551715769.db2.gz BLDJFIILWUKOJM-GFCCVEGCSA-N 1 1 350.419 2.082 20 5 FEBDMO COc1cccc(CNC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285403040 551750696 /nfs/dbraw/zinc/75/06/96/551750696.db2.gz UENIUAGQSHTKBW-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO COc1cccc(CNC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285403040 551750698 /nfs/dbraw/zinc/75/06/98/551750698.db2.gz UENIUAGQSHTKBW-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000286049702 551843061 /nfs/dbraw/zinc/84/30/61/551843061.db2.gz ATECMBIVTLYUFJ-DOMZBBRYSA-N 1 1 360.414 2.230 20 5 FEBDMO CN(c1ccc([N+](=O)[O-])cc1S(C)(=O)=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286291089 551870493 /nfs/dbraw/zinc/87/04/93/551870493.db2.gz HPOMHFSBSJEAIF-ONXXMXGDSA-N 1 1 353.444 2.060 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000287344535 551992166 /nfs/dbraw/zinc/99/21/66/551992166.db2.gz LCWGVZNTEPINCK-GFCCVEGCSA-N 1 1 351.378 2.187 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000287344535 551992168 /nfs/dbraw/zinc/99/21/68/551992168.db2.gz LCWGVZNTEPINCK-GFCCVEGCSA-N 1 1 351.378 2.187 20 5 FEBDMO CCCn1cc[nH+]c1CCCN(C)c1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000287588261 552022429 /nfs/dbraw/zinc/02/24/29/552022429.db2.gz DXZJPEBUPHVDIE-UHFFFAOYSA-N 1 1 361.402 2.452 20 5 FEBDMO C[N@@H+](CCn1cc(Br)cn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000288718635 552200030 /nfs/dbraw/zinc/20/00/30/552200030.db2.gz FTGMXAZGPSCFDH-AWEZNQCLSA-N 1 1 369.219 2.219 20 5 FEBDMO CCC[C@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723526 552200903 /nfs/dbraw/zinc/20/09/03/552200903.db2.gz GALNQQRANQOJQV-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO CCC[C@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723526 552200904 /nfs/dbraw/zinc/20/09/04/552200904.db2.gz GALNQQRANQOJQV-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500153173 561566876 /nfs/dbraw/zinc/56/68/76/561566876.db2.gz YCWOHWSROPCOHT-GFCCVEGCSA-N 1 1 359.423 2.277 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000289691054 552362645 /nfs/dbraw/zinc/36/26/45/552362645.db2.gz GOLSSLFKGMZVCV-UHFFFAOYSA-N 1 1 364.446 2.468 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000500931955 561586006 /nfs/dbraw/zinc/58/60/06/561586006.db2.gz WUPZGHAVWXOGSV-GASCZTMLSA-N 1 1 369.487 2.320 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000290690730 552520645 /nfs/dbraw/zinc/52/06/45/552520645.db2.gz UXCAFFKHWSMCHL-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000290753650 552532100 /nfs/dbraw/zinc/53/21/00/552532100.db2.gz YXYNUOCXGNWQTP-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl)CC[NH+](C)C ZINC000290753650 552532103 /nfs/dbraw/zinc/53/21/03/552532103.db2.gz YXYNUOCXGNWQTP-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO C[C@H]1[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291191519 552597914 /nfs/dbraw/zinc/59/79/14/552597914.db2.gz STVRBJSFVYINJQ-SWLSCSKDSA-N 1 1 355.398 2.164 20 5 FEBDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000291262848 552607595 /nfs/dbraw/zinc/60/75/95/552607595.db2.gz XEQGBSCIYUSLAF-DDBAPUKQSA-N 1 1 363.458 2.408 20 5 FEBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000291345712 552616918 /nfs/dbraw/zinc/61/69/18/552616918.db2.gz XOFOMKHTEOUQIK-QGZVFWFLSA-N 1 1 371.441 2.210 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C(C)C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000291678388 552650350 /nfs/dbraw/zinc/65/03/50/552650350.db2.gz GTNMQZYBRAMBMM-ZDUSSCGKSA-N 1 1 351.403 2.431 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C(C)C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000291678388 552650351 /nfs/dbraw/zinc/65/03/51/552650351.db2.gz GTNMQZYBRAMBMM-ZDUSSCGKSA-N 1 1 351.403 2.431 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291703402 552653045 /nfs/dbraw/zinc/65/30/45/552653045.db2.gz URZKOLFBLWLAKK-UHFFFAOYSA-N 1 1 352.435 2.097 20 5 FEBDMO CS(=O)(=O)CC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000292089704 552692651 /nfs/dbraw/zinc/69/26/51/552692651.db2.gz GNZGCVPONRURMA-UHFFFAOYSA-N 1 1 356.444 2.120 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000292185116 552702571 /nfs/dbraw/zinc/70/25/71/552702571.db2.gz BDNXSZUTIZYFFV-UHFFFAOYSA-N 1 1 360.370 2.117 20 5 FEBDMO C[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000292271111 552710843 /nfs/dbraw/zinc/71/08/43/552710843.db2.gz GEPZBYZNTGUDKB-SQWLQELKSA-N 1 1 362.430 2.160 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292888680 552768762 /nfs/dbraw/zinc/76/87/62/552768762.db2.gz UUUGHDBVVIGWAV-MRXNPFEDSA-N 1 1 353.444 2.010 20 5 FEBDMO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295165894 552965356 /nfs/dbraw/zinc/96/53/56/552965356.db2.gz STIGWSZPEUGKTC-LOWQCSRCSA-N 1 1 365.430 2.425 20 5 FEBDMO COc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000295393342 552999138 /nfs/dbraw/zinc/99/91/38/552999138.db2.gz QSYYPTLMHGEAAQ-GFCCVEGCSA-N 1 1 363.414 2.168 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295471623 553012163 /nfs/dbraw/zinc/01/21/63/553012163.db2.gz ZASPDUQWCUZRKU-AGUYFDCRSA-N 1 1 353.444 2.115 20 5 FEBDMO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000296423509 553157613 /nfs/dbraw/zinc/15/76/13/553157613.db2.gz ZMTWDGDDCFHPNF-LBPRGKRZSA-N 1 1 368.393 2.356 20 5 FEBDMO C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000296423509 553157614 /nfs/dbraw/zinc/15/76/14/553157614.db2.gz ZMTWDGDDCFHPNF-LBPRGKRZSA-N 1 1 368.393 2.356 20 5 FEBDMO Cc1cc(F)c(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000296613137 553187558 /nfs/dbraw/zinc/18/75/58/553187558.db2.gz AXRHOWJGTRUMPP-LBPRGKRZSA-N 1 1 368.409 2.351 20 5 FEBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000297463791 553295896 /nfs/dbraw/zinc/29/58/96/553295896.db2.gz NFEDKFFJCWCBHD-GFCCVEGCSA-N 1 1 356.810 2.217 20 5 FEBDMO C[NH+](C)CCN(Cc1ccco1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297541172 553306196 /nfs/dbraw/zinc/30/61/96/553306196.db2.gz QBDSBJOGKUYPRZ-UHFFFAOYSA-N 1 1 367.427 2.160 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297825537 553343413 /nfs/dbraw/zinc/34/34/13/553343413.db2.gz ZRLHOYYDTFIOBW-AWEZNQCLSA-N 1 1 364.446 2.408 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297825537 553343415 /nfs/dbraw/zinc/34/34/15/553343415.db2.gz ZRLHOYYDTFIOBW-AWEZNQCLSA-N 1 1 364.446 2.408 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000299429475 553562175 /nfs/dbraw/zinc/56/21/75/553562175.db2.gz XMAUJTZKMGUATO-ZBFHGGJFSA-N 1 1 374.441 2.093 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299730186 553608824 /nfs/dbraw/zinc/60/88/24/553608824.db2.gz WQYGJMGVWAPHSQ-KGLIPLIRSA-N 1 1 362.430 2.091 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c([N+](=O)[O-])c1 ZINC000301469380 553653673 /nfs/dbraw/zinc/65/36/73/553653673.db2.gz RVGAKFYTNDOJON-OAHLLOKOSA-N 1 1 367.409 2.010 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301523672 553658120 /nfs/dbraw/zinc/65/81/20/553658120.db2.gz GUFHHHZKJGIMTA-DZGCQCFKSA-N 1 1 371.441 2.336 20 5 FEBDMO Cc1ccc(N2CCC(Nc3ccc4ncc([N+](=O)[O-])n4n3)CC2)[nH+]c1 ZINC000301895015 553689234 /nfs/dbraw/zinc/68/92/34/553689234.db2.gz XNVJSLYYEGPQKL-UHFFFAOYSA-N 1 1 353.386 2.422 20 5 FEBDMO Cc1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)c(N2CCCC2)[nH+]1 ZINC000302046592 553700238 /nfs/dbraw/zinc/70/02/38/553700238.db2.gz LCZPPGDUWOKIPS-UHFFFAOYSA-N 1 1 356.386 2.004 20 5 FEBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[N@H+]1CC(C)(C)O ZINC000302522715 553720219 /nfs/dbraw/zinc/72/02/19/553720219.db2.gz YLTMHASQWRYAKK-NSHDSACASA-N 1 1 359.373 2.478 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000302800558 553733438 /nfs/dbraw/zinc/73/34/38/553733438.db2.gz CBHWOULOYDEAGZ-OAHLLOKOSA-N 1 1 366.849 2.299 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000302972321 553742734 /nfs/dbraw/zinc/74/27/34/553742734.db2.gz IHNGSMXGFLDQTP-TXEJJXNPSA-N 1 1 350.419 2.182 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000319244846 553763870 /nfs/dbraw/zinc/76/38/70/553763870.db2.gz XGFMSFTWORECDP-SNVBAGLBSA-N 1 1 369.219 2.063 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000319244846 553763873 /nfs/dbraw/zinc/76/38/73/553763873.db2.gz XGFMSFTWORECDP-SNVBAGLBSA-N 1 1 369.219 2.063 20 5 FEBDMO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000507141720 561719204 /nfs/dbraw/zinc/71/92/04/561719204.db2.gz IDBSPRQOQBOKMU-DDJMYBDESA-N 1 1 353.444 2.012 20 5 FEBDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000507141720 561719206 /nfs/dbraw/zinc/71/92/06/561719206.db2.gz IDBSPRQOQBOKMU-DDJMYBDESA-N 1 1 353.444 2.012 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc1SC ZINC000330602811 554144728 /nfs/dbraw/zinc/14/47/28/554144728.db2.gz HIDVYONVVQBCHX-WDEREUQCSA-N 1 1 353.444 2.490 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1SC ZINC000330602811 554144731 /nfs/dbraw/zinc/14/47/31/554144731.db2.gz HIDVYONVVQBCHX-WDEREUQCSA-N 1 1 353.444 2.490 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331365649 554251461 /nfs/dbraw/zinc/25/14/61/554251461.db2.gz DLXREKDLETYSGF-HNNXBMFYSA-N 1 1 374.441 2.176 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331365649 554251464 /nfs/dbraw/zinc/25/14/64/554251464.db2.gz DLXREKDLETYSGF-HNNXBMFYSA-N 1 1 374.441 2.176 20 5 FEBDMO O=C(N1CCCC1)[C@@]1(O)CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331709940 554312535 /nfs/dbraw/zinc/31/25/35/554312535.db2.gz FFQLEMUBKVMXBQ-QGZVFWFLSA-N 1 1 367.833 2.198 20 5 FEBDMO O=C(N1CCCC1)[C@@]1(O)CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000331709940 554312536 /nfs/dbraw/zinc/31/25/36/554312536.db2.gz FFQLEMUBKVMXBQ-QGZVFWFLSA-N 1 1 367.833 2.198 20 5 FEBDMO CCOC(=O)c1ccnc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000609960734 554444665 /nfs/dbraw/zinc/44/46/65/554444665.db2.gz AXQYBMWKMWHNSW-BETUJISGSA-N 1 1 366.418 2.078 20 5 FEBDMO COCCN1C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)CC[C@@H]21 ZINC000332587804 554477539 /nfs/dbraw/zinc/47/75/39/554477539.db2.gz LRVRGVZEOQSUMH-XKQJLSEDSA-N 1 1 362.430 2.079 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592785 554478788 /nfs/dbraw/zinc/47/87/88/554478788.db2.gz NYLYZRINDQYGQD-CABCVRRESA-N 1 1 367.471 2.459 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000510570207 561839197 /nfs/dbraw/zinc/83/91/97/561839197.db2.gz MBPGKRODXYNNTI-UHFFFAOYSA-N 1 1 352.416 2.085 20 5 FEBDMO C[C@H](NC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000511314452 561864787 /nfs/dbraw/zinc/86/47/87/561864787.db2.gz NMIIMGRYMRMUAF-ZDUSSCGKSA-N 1 1 369.425 2.376 20 5 FEBDMO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000361105894 554904510 /nfs/dbraw/zinc/90/45/10/554904510.db2.gz SXFLIOKAGYWROQ-CFVMTHIKSA-N 1 1 360.414 2.087 20 5 FEBDMO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000361105890 554904540 /nfs/dbraw/zinc/90/45/40/554904540.db2.gz SXFLIOKAGYWROQ-AEGPPILISA-N 1 1 360.414 2.087 20 5 FEBDMO CCc1nn(C)c(NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000362337122 554965202 /nfs/dbraw/zinc/96/52/02/554965202.db2.gz SRTJGQJKQHNCKI-IUODEOHRSA-N 1 1 361.450 2.119 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(n2cc(C)cn2)CC1 ZINC000362683457 554980130 /nfs/dbraw/zinc/98/01/30/554980130.db2.gz BLGBCDIGIKJMPZ-UHFFFAOYSA-N 1 1 373.413 2.384 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000363219412 555056268 /nfs/dbraw/zinc/05/62/68/555056268.db2.gz RPLSUGIGXCDKRD-CQSZACIVSA-N 1 1 366.849 2.100 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)C1 ZINC000363405060 555097463 /nfs/dbraw/zinc/09/74/63/555097463.db2.gz CFDJAQYUFKPMGL-BJZITVGISA-N 1 1 372.469 2.194 20 5 FEBDMO C[C@@H]1OCC[C@@]12C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H](C)O2 ZINC000363929036 555216050 /nfs/dbraw/zinc/21/60/50/555216050.db2.gz UQUUNPNGGRAEJF-QWQRMKEZSA-N 1 1 363.414 2.192 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000364038881 555237879 /nfs/dbraw/zinc/23/78/79/555237879.db2.gz OHMZMQXTQXIHJR-QWRGUYRKSA-N 1 1 369.805 2.310 20 5 FEBDMO Cc1c(NC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000364145331 555258413 /nfs/dbraw/zinc/25/84/13/555258413.db2.gz XJFGEWUUJKRESU-GJZGRUSLSA-N 1 1 362.430 2.356 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340108 555294645 /nfs/dbraw/zinc/29/46/45/555294645.db2.gz RKKGNFBGKROVCB-HUUCEWRRSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340108 555294646 /nfs/dbraw/zinc/29/46/46/555294646.db2.gz RKKGNFBGKROVCB-HUUCEWRRSA-N 1 1 352.387 2.146 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000364556828 555337804 /nfs/dbraw/zinc/33/78/04/555337804.db2.gz KQFYUJUJCZEKQU-INWMFGNUSA-N 1 1 365.405 2.353 20 5 FEBDMO CN(C)C(=O)C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000364872255 555421223 /nfs/dbraw/zinc/42/12/23/555421223.db2.gz MVRAEJRMSVLAIL-UHFFFAOYSA-N 1 1 374.363 2.214 20 5 FEBDMO CN(C)C(=O)C[N@H+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000364872255 555421225 /nfs/dbraw/zinc/42/12/25/555421225.db2.gz MVRAEJRMSVLAIL-UHFFFAOYSA-N 1 1 374.363 2.214 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCOCC(F)(F)C(F)F)C2)c1 ZINC000365286293 555532420 /nfs/dbraw/zinc/53/24/20/555532420.db2.gz CTPDEFOOBWUZRT-SNVBAGLBSA-N 1 1 354.304 2.345 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC12CCC2 ZINC000365712147 555648280 /nfs/dbraw/zinc/64/82/80/555648280.db2.gz LEROCRHIWONPAN-AWEZNQCLSA-N 1 1 372.381 2.420 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC12CCC2 ZINC000365712147 555648282 /nfs/dbraw/zinc/64/82/82/555648282.db2.gz LEROCRHIWONPAN-AWEZNQCLSA-N 1 1 372.381 2.420 20 5 FEBDMO COCCC[N@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000365827904 555676428 /nfs/dbraw/zinc/67/64/28/555676428.db2.gz SGHPKOKZAFKAHQ-UHFFFAOYSA-N 1 1 352.391 2.047 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000366645693 555898287 /nfs/dbraw/zinc/89/82/87/555898287.db2.gz XGPMSGXWUYMTDO-UHFFFAOYSA-N 1 1 358.398 2.326 20 5 FEBDMO CCc1nc(CN2C[C@@H]3C[N@H+](Cc4ccccc4[N+](=O)[O-])C[C@@H]3C2)no1 ZINC000366697765 555911949 /nfs/dbraw/zinc/91/19/49/555911949.db2.gz RBPWVELKRWFQBO-GASCZTMLSA-N 1 1 357.414 2.104 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000367783117 556138007 /nfs/dbraw/zinc/13/80/07/556138007.db2.gz KMFBCNXWTLEUOG-HNNXBMFYSA-N 1 1 355.398 2.150 20 5 FEBDMO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C ZINC000515216820 562001307 /nfs/dbraw/zinc/00/13/07/562001307.db2.gz PMPBCRTVMBUXRQ-KBPBESRZSA-N 1 1 355.460 2.277 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000515500932 562013274 /nfs/dbraw/zinc/01/32/74/562013274.db2.gz XEDRMBAKQJCPSI-TXEJJXNPSA-N 1 1 358.398 2.403 20 5 FEBDMO O=C(c1ccc[nH]1)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000368875019 556435757 /nfs/dbraw/zinc/43/57/57/556435757.db2.gz JERAKYLDXBWTED-UHFFFAOYSA-N 1 1 358.398 2.150 20 5 FEBDMO O=C(c1ccc[nH]1)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000368875019 556435759 /nfs/dbraw/zinc/43/57/59/556435759.db2.gz JERAKYLDXBWTED-UHFFFAOYSA-N 1 1 358.398 2.150 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000515736630 562020643 /nfs/dbraw/zinc/02/06/43/562020643.db2.gz NCIKSWNPHJFTQV-OCCSQVGLSA-N 1 1 355.460 2.302 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369272320 556559275 /nfs/dbraw/zinc/55/92/75/556559275.db2.gz AYYJQNAGCQYMQM-GFCCVEGCSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000369272320 556559276 /nfs/dbraw/zinc/55/92/76/556559276.db2.gz AYYJQNAGCQYMQM-GFCCVEGCSA-N 1 1 366.849 2.147 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721392 556677980 /nfs/dbraw/zinc/67/79/80/556677980.db2.gz DQPXCONIIGYFBU-VNQPRFMTSA-N 1 1 373.457 2.450 20 5 FEBDMO Cc1cc(C2=CC[N@@H+](CCCN3CCOCC3)CC2)cc([N+](=O)[O-])c1N ZINC000369905951 556726492 /nfs/dbraw/zinc/72/64/92/556726492.db2.gz JJXKHWGEOQPXSZ-UHFFFAOYSA-N 1 1 360.458 2.297 20 5 FEBDMO Cc1ncccc1O[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370113805 556784514 /nfs/dbraw/zinc/78/45/14/556784514.db2.gz VNBKBVOCHAPSGV-WMZOPIPTSA-N 1 1 373.409 2.191 20 5 FEBDMO Cc1ncccc1O[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000370113804 556784911 /nfs/dbraw/zinc/78/49/11/556784911.db2.gz VNBKBVOCHAPSGV-SJLPKXTDSA-N 1 1 373.409 2.191 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000370408946 556863807 /nfs/dbraw/zinc/86/38/07/556863807.db2.gz ZQLARHCTUCLUQP-IBGZPJMESA-N 1 1 374.441 2.176 20 5 FEBDMO Cc1cc(C2=CC[N@@H+](CCN3CCO[C@@H](C)C3)CC2)cc([N+](=O)[O-])c1N ZINC000370587238 556915236 /nfs/dbraw/zinc/91/52/36/556915236.db2.gz DFJFHMLOGHJFPO-HNNXBMFYSA-N 1 1 360.458 2.295 20 5 FEBDMO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000370721394 556949364 /nfs/dbraw/zinc/94/93/64/556949364.db2.gz PZDGGXOUEYKASM-GFCCVEGCSA-N 1 1 363.439 2.338 20 5 FEBDMO C[C@H](CO)[N@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000370721394 556949368 /nfs/dbraw/zinc/94/93/68/556949368.db2.gz PZDGGXOUEYKASM-GFCCVEGCSA-N 1 1 363.439 2.338 20 5 FEBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000371128237 557083308 /nfs/dbraw/zinc/08/33/08/557083308.db2.gz KRSBZCBUMUZUQX-HNNXBMFYSA-N 1 1 358.398 2.424 20 5 FEBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000517553935 562092365 /nfs/dbraw/zinc/09/23/65/562092365.db2.gz HHUPJKVYQSKIHE-UHFFFAOYSA-N 1 1 365.405 2.499 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000518357212 562109473 /nfs/dbraw/zinc/10/94/73/562109473.db2.gz JTSKMQNYRZDNJI-UHFFFAOYSA-N 1 1 355.354 2.174 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000371902589 557325580 /nfs/dbraw/zinc/32/55/80/557325580.db2.gz WWFPXBGQWIQJMR-LBPRGKRZSA-N 1 1 373.862 2.415 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000519548892 562134480 /nfs/dbraw/zinc/13/44/80/562134480.db2.gz ZQOHMSVKZQRIGJ-AWEZNQCLSA-N 1 1 355.460 2.260 20 5 FEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCN(c2cccnn2)CC1 ZINC000373210507 557650848 /nfs/dbraw/zinc/65/08/48/557650848.db2.gz PCNHORNFDPHVLE-UHFFFAOYSA-N 1 1 372.385 2.394 20 5 FEBDMO C[C@H](NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccccc1 ZINC000373278309 557664140 /nfs/dbraw/zinc/66/41/40/557664140.db2.gz NGBNAWOSSAFWDQ-AWEZNQCLSA-N 1 1 357.414 2.306 20 5 FEBDMO CCOc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000520318398 562153297 /nfs/dbraw/zinc/15/32/97/562153297.db2.gz LXYQLMBVZWBDTF-CYBMUJFWSA-N 1 1 363.414 2.311 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H](O)COCc3ccccc3)C2)c1 ZINC000373583192 557722839 /nfs/dbraw/zinc/72/28/39/557722839.db2.gz IVYDSNRMVXMBDA-AEFFLSMTSA-N 1 1 360.414 2.006 20 5 FEBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)c1ccccc1 ZINC000520463445 562157068 /nfs/dbraw/zinc/15/70/68/562157068.db2.gz LHJZTWMKTNLZBD-QGZVFWFLSA-N 1 1 374.441 2.373 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000373757804 557752684 /nfs/dbraw/zinc/75/26/84/557752684.db2.gz BJJHLAMYCFBABN-OAHLLOKOSA-N 1 1 362.474 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000373757804 557752686 /nfs/dbraw/zinc/75/26/86/557752686.db2.gz BJJHLAMYCFBABN-OAHLLOKOSA-N 1 1 362.474 2.204 20 5 FEBDMO CC[N@@H+]1CCO[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000373765818 557754595 /nfs/dbraw/zinc/75/45/95/557754595.db2.gz KJMVTWBSWLJJCN-ZDUSSCGKSA-N 1 1 372.219 2.325 20 5 FEBDMO CC[N@H+]1CCO[C@H](C(=O)Nc2cc(Br)cc([N+](=O)[O-])c2C)C1 ZINC000373765818 557754599 /nfs/dbraw/zinc/75/45/99/557754599.db2.gz KJMVTWBSWLJJCN-ZDUSSCGKSA-N 1 1 372.219 2.325 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000374307744 557862841 /nfs/dbraw/zinc/86/28/41/557862841.db2.gz IGUZFNXQUPLEMS-DOTOQJQBSA-N 1 1 360.414 2.425 20 5 FEBDMO O=C1[C@@H]([N@H+]2CC[C@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366434 557872829 /nfs/dbraw/zinc/87/28/29/557872829.db2.gz NUBWWCLGPASVNM-YJBOKZPZSA-N 1 1 359.426 2.449 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000374372899 557873711 /nfs/dbraw/zinc/87/37/11/557873711.db2.gz GBRZZHKPRHRRAY-NWDGAFQWSA-N 1 1 352.366 2.027 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000374416295 557881058 /nfs/dbraw/zinc/88/10/58/557881058.db2.gz QSAXQWFEGOEYFM-MRXNPFEDSA-N 1 1 374.328 2.429 20 5 FEBDMO O=C1[C@H]([NH+]2CCC([C@H]3CCOC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374604961 557905709 /nfs/dbraw/zinc/90/57/09/557905709.db2.gz OOHFLYHSJQFVEA-MAUKXSAKSA-N 1 1 359.426 2.449 20 5 FEBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000521129863 562170113 /nfs/dbraw/zinc/17/01/13/562170113.db2.gz RDAQGQSUXBVMDG-AWEZNQCLSA-N 1 1 351.451 2.198 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000374856996 557941530 /nfs/dbraw/zinc/94/15/30/557941530.db2.gz RCESZYQWOTWNCP-DGCLKSJQSA-N 1 1 373.862 2.271 20 5 FEBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374914864 557950562 /nfs/dbraw/zinc/95/05/62/557950562.db2.gz OAPBZGVSURBYAZ-AWEZNQCLSA-N 1 1 350.438 2.334 20 5 FEBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C1CCN(C)CC1 ZINC000374914864 557950564 /nfs/dbraw/zinc/95/05/64/557950564.db2.gz OAPBZGVSURBYAZ-AWEZNQCLSA-N 1 1 350.438 2.334 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)c1C ZINC000375112829 557979742 /nfs/dbraw/zinc/97/97/42/557979742.db2.gz LWIQIMXRIHKVLU-UHFFFAOYSA-N 1 1 364.427 2.223 20 5 FEBDMO NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598424 558054828 /nfs/dbraw/zinc/05/48/28/558054828.db2.gz NGNDAQNEBNHWJF-INWMFGNUSA-N 1 1 360.414 2.042 20 5 FEBDMO CCC[N@@H+](C)CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000521648134 562181135 /nfs/dbraw/zinc/18/11/35/562181135.db2.gz MSXJISAHMQJTBE-UHFFFAOYSA-N 1 1 362.352 2.484 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])cc1OC ZINC000377703625 558401292 /nfs/dbraw/zinc/40/12/92/558401292.db2.gz VMGLBXQSJHDTQX-GFCCVEGCSA-N 1 1 373.413 2.364 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c([N+](=O)[O-])cc1OC ZINC000377703625 558401293 /nfs/dbraw/zinc/40/12/93/558401293.db2.gz VMGLBXQSJHDTQX-GFCCVEGCSA-N 1 1 373.413 2.364 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000377837642 558432220 /nfs/dbraw/zinc/43/22/20/558432220.db2.gz PMRZMUAPHIBILB-JTDSTZFVSA-N 1 1 366.421 2.433 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000523283346 562210376 /nfs/dbraw/zinc/21/03/76/562210376.db2.gz FRJXSEXQPWOMLT-CQSZACIVSA-N 1 1 351.451 2.297 20 5 FEBDMO Cc1nn(CCC(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000378303263 558524828 /nfs/dbraw/zinc/52/48/28/558524828.db2.gz CIPSJWACQMXROL-DLBZAZTESA-N 1 1 371.441 2.012 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[N@@H+](Cc4ccccc4F)CC3)nn21 ZINC000378363167 558539384 /nfs/dbraw/zinc/53/93/84/558539384.db2.gz VBCLKSTZTNUFPB-UHFFFAOYSA-N 1 1 370.388 2.489 20 5 FEBDMO CC(C)OC(=O)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000523649451 562216535 /nfs/dbraw/zinc/21/65/35/562216535.db2.gz OLUBLODWZVOTNX-ZFWWWQNUSA-N 1 1 363.414 2.046 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000378517771 558573414 /nfs/dbraw/zinc/57/34/14/558573414.db2.gz JRMJJXYMFVORSU-CQSZACIVSA-N 1 1 367.413 2.493 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000378517771 558573417 /nfs/dbraw/zinc/57/34/17/558573417.db2.gz JRMJJXYMFVORSU-CQSZACIVSA-N 1 1 367.413 2.493 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@H](n3cc4ccccc4n3)C2)c([N+](=O)[O-])c1 ZINC000378570880 558586006 /nfs/dbraw/zinc/58/60/06/558586006.db2.gz TZOBTFNOIYOKGP-INIZCTEOSA-N 1 1 365.393 2.490 20 5 FEBDMO C[C@@H]1[C@H](C)N(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[N@@H+]1C ZINC000408086231 558644689 /nfs/dbraw/zinc/64/46/89/558644689.db2.gz HJFFDAILOFVIIG-CABCVRRESA-N 1 1 360.458 2.362 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c([N+](=O)[O-])c1 ZINC000524755373 562233884 /nfs/dbraw/zinc/23/38/84/562233884.db2.gz DOWUZNAIWRHHFT-CQSZACIVSA-N 1 1 363.414 2.069 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524780774 562234582 /nfs/dbraw/zinc/23/45/82/562234582.db2.gz NAAUPNAYQNUFEF-DZGCQCFKSA-N 1 1 350.419 2.098 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000410724625 558803420 /nfs/dbraw/zinc/80/34/20/558803420.db2.gz WSNZTJBMVXXJQV-RKDXNWHRSA-N 1 1 363.340 2.176 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000525103984 562240547 /nfs/dbraw/zinc/24/05/47/562240547.db2.gz VUJCBVWOPVXTBC-NEPJUHHUSA-N 1 1 351.403 2.215 20 5 FEBDMO CCOc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525105002 562240562 /nfs/dbraw/zinc/24/05/62/562240562.db2.gz VCHAPVNQXXSJQC-VXGBXAGGSA-N 1 1 351.403 2.215 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H]1C ZINC000411659160 558937692 /nfs/dbraw/zinc/93/76/92/558937692.db2.gz YDQXWQVSHCUYLC-BBRMVZONSA-N 1 1 351.403 2.049 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411840940 558974057 /nfs/dbraw/zinc/97/40/57/558974057.db2.gz FPWIEEPYRQCGAU-QGZVFWFLSA-N 1 1 361.398 2.394 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411840940 558974059 /nfs/dbraw/zinc/97/40/59/558974059.db2.gz FPWIEEPYRQCGAU-QGZVFWFLSA-N 1 1 361.398 2.394 20 5 FEBDMO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000412059557 559008123 /nfs/dbraw/zinc/00/81/23/559008123.db2.gz XLWFSKYFPBHGIX-ZDUSSCGKSA-N 1 1 357.414 2.448 20 5 FEBDMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000412059557 559008124 /nfs/dbraw/zinc/00/81/24/559008124.db2.gz XLWFSKYFPBHGIX-ZDUSSCGKSA-N 1 1 357.414 2.448 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412060224 559008137 /nfs/dbraw/zinc/00/81/37/559008137.db2.gz ZILZUVJKSZTNAG-GDBMZVCRSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412060224 559008138 /nfs/dbraw/zinc/00/81/38/559008138.db2.gz ZILZUVJKSZTNAG-GDBMZVCRSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000412699873 559051285 /nfs/dbraw/zinc/05/12/85/559051285.db2.gz PUXDDZCNQJOOEY-CYBMUJFWSA-N 1 1 356.382 2.042 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000412699873 559051287 /nfs/dbraw/zinc/05/12/87/559051287.db2.gz PUXDDZCNQJOOEY-CYBMUJFWSA-N 1 1 356.382 2.042 20 5 FEBDMO C[NH+]1CCN(C(=O)c2ccc(CNc3ncc([N+](=O)[O-])cc3F)cc2)CC1 ZINC000413055788 559073445 /nfs/dbraw/zinc/07/34/45/559073445.db2.gz BLISQOVDDUGPMK-UHFFFAOYSA-N 1 1 373.388 2.129 20 5 FEBDMO C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1F ZINC000414039284 559148449 /nfs/dbraw/zinc/14/84/49/559148449.db2.gz JBGXAQLMKQMLGF-ZDUSSCGKSA-N 1 1 367.421 2.407 20 5 FEBDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414159988 559150976 /nfs/dbraw/zinc/15/09/76/559150976.db2.gz XIDMEYPSFWCPHW-CRAIPNDOSA-N 1 1 364.442 2.472 20 5 FEBDMO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1 ZINC000414622287 559176031 /nfs/dbraw/zinc/17/60/31/559176031.db2.gz SKCBGCRNYBWGAV-SNVBAGLBSA-N 1 1 354.388 2.094 20 5 FEBDMO Cc1c(CNC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cccc1[N+](=O)[O-] ZINC000418084717 559389680 /nfs/dbraw/zinc/38/96/80/559389680.db2.gz VZCXWBPJMAPDOQ-KRWDZBQOSA-N 1 1 355.398 2.154 20 5 FEBDMO [NH3+]CC(F)(F)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000418093031 559389866 /nfs/dbraw/zinc/38/98/66/559389866.db2.gz SHOHBCADIZPMKU-UHFFFAOYSA-N 1 1 356.251 2.007 20 5 FEBDMO Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419001118 559425080 /nfs/dbraw/zinc/42/50/80/559425080.db2.gz LHNHHSKGJLVVFA-GJZGRUSLSA-N 1 1 371.441 2.252 20 5 FEBDMO NC(=O)c1cccc([N+](=O)[O-])c1NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000420586510 559493084 /nfs/dbraw/zinc/49/30/84/559493084.db2.gz OFRSHDQJLIFYAF-UHFFFAOYSA-N 1 1 370.409 2.138 20 5 FEBDMO CCCN1C[C@H](C[NH2+][C@@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421355807 559540052 /nfs/dbraw/zinc/54/00/52/559540052.db2.gz VHCCIPSWKYCEEH-KBXCAEBGSA-N 1 1 371.441 2.266 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000424109914 559655100 /nfs/dbraw/zinc/65/51/00/559655100.db2.gz WUCCXDJSFNYHRB-UHFFFAOYSA-N 1 1 354.382 2.308 20 5 FEBDMO COc1cc(NC(=O)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc(OC)c1 ZINC000425345667 559697752 /nfs/dbraw/zinc/69/77/52/559697752.db2.gz AKOJCVYGLGLCRB-UHFFFAOYSA-N 1 1 351.384 2.402 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000425359827 559698179 /nfs/dbraw/zinc/69/81/79/559698179.db2.gz TUFZDLIMBDGJRI-VIFPVBQESA-N 1 1 369.328 2.312 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCN(C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425471898 559704174 /nfs/dbraw/zinc/70/41/74/559704174.db2.gz HRWVNMASAPVVEY-KRWDZBQOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc(NC(=O)CCN2CC[N@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425471898 559704175 /nfs/dbraw/zinc/70/41/75/559704175.db2.gz HRWVNMASAPVVEY-KRWDZBQOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc(NC(=O)CCN2CC[N@@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000425471898 559704176 /nfs/dbraw/zinc/70/41/76/559704176.db2.gz HRWVNMASAPVVEY-KRWDZBQOSA-N 1 1 364.446 2.204 20 5 FEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026759 559789170 /nfs/dbraw/zinc/78/91/70/559789170.db2.gz AATDBSVGTXXMFX-RGCFKVTRSA-N 1 1 372.469 2.362 20 5 FEBDMO CC[C@H](C)[C@H](NC(=O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(=O)OC ZINC000429258239 559793995 /nfs/dbraw/zinc/79/39/95/559793995.db2.gz GSAVEZHIJZFEOS-LRDDRELGSA-N 1 1 365.430 2.123 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000430212406 559815345 /nfs/dbraw/zinc/81/53/45/559815345.db2.gz MVCOUXQAHDHRLE-UHFFFAOYSA-N 1 1 350.463 2.061 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1CN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000430212406 559815346 /nfs/dbraw/zinc/81/53/46/559815346.db2.gz MVCOUXQAHDHRLE-UHFFFAOYSA-N 1 1 350.463 2.061 20 5 FEBDMO C[N@@H+](C[C@@H](O)Cc1ccccc1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000433039697 559870310 /nfs/dbraw/zinc/87/03/10/559870310.db2.gz NFLKCWMRPJEYBV-RBUKOAKNSA-N 1 1 369.421 2.236 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433068869 559871076 /nfs/dbraw/zinc/87/10/76/559871076.db2.gz BHZQXEQHDHJEKN-INIZCTEOSA-N 1 1 357.410 2.377 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433068869 559871077 /nfs/dbraw/zinc/87/10/77/559871077.db2.gz BHZQXEQHDHJEKN-INIZCTEOSA-N 1 1 357.410 2.377 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCO)[C@H]1CCCSC1 ZINC000433215385 559874109 /nfs/dbraw/zinc/87/41/09/559874109.db2.gz YCPSIKRLIRKSKO-ZDUSSCGKSA-N 1 1 353.444 2.032 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000433215385 559874110 /nfs/dbraw/zinc/87/41/10/559874110.db2.gz YCPSIKRLIRKSKO-ZDUSSCGKSA-N 1 1 353.444 2.032 20 5 FEBDMO Cc1cc(OCC(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801728 559930421 /nfs/dbraw/zinc/93/04/21/559930421.db2.gz UYQNHMOIYDQBOP-MSOLQXFVSA-N 1 1 369.421 2.496 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCSCC1 ZINC000439912439 560001756 /nfs/dbraw/zinc/00/17/56/560001756.db2.gz UNXQAQOFICBOIH-UHFFFAOYSA-N 1 1 354.432 2.164 20 5 FEBDMO COC(=O)c1cc(NC[C@H](C(C)C)[NH+]2CCOCC2)cc(C)c1[N+](=O)[O-] ZINC000440724591 560017217 /nfs/dbraw/zinc/01/72/17/560017217.db2.gz XZETVOBFMAWZDP-MRXNPFEDSA-N 1 1 365.430 2.459 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441211083 560026394 /nfs/dbraw/zinc/02/63/94/560026394.db2.gz PWDMJPGTNVRWJR-ZIAGYGMSSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441211083 560026395 /nfs/dbraw/zinc/02/63/95/560026395.db2.gz PWDMJPGTNVRWJR-ZIAGYGMSSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443331966 560080551 /nfs/dbraw/zinc/08/05/51/560080551.db2.gz WUXDLOYWSJCSEZ-HEHGZKQESA-N 1 1 365.430 2.413 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000443361661 560081796 /nfs/dbraw/zinc/08/17/96/560081796.db2.gz YUHABBVLLSQGDF-ZIAGYGMSSA-N 1 1 362.430 2.173 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000443376844 560082548 /nfs/dbraw/zinc/08/25/48/560082548.db2.gz WXSWIIPMGYNPPR-GXTWGEPZSA-N 1 1 362.430 2.173 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@H+]2CCCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000443977595 560098118 /nfs/dbraw/zinc/09/81/18/560098118.db2.gz IQBIMUSCNSLAJY-UHFFFAOYSA-N 1 1 355.460 2.304 20 5 FEBDMO C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000445995159 560138009 /nfs/dbraw/zinc/13/80/09/560138009.db2.gz YGWFJTXIBBNHFE-LBPRGKRZSA-N 1 1 356.220 2.110 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000446321470 560144296 /nfs/dbraw/zinc/14/42/96/560144296.db2.gz PNDYERQTNYXAKW-FQEVSTJZSA-N 1 1 369.421 2.270 20 5 FEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000446735986 560150762 /nfs/dbraw/zinc/15/07/62/560150762.db2.gz MQUNTSANVJWUAV-MRXNPFEDSA-N 1 1 372.377 2.122 20 5 FEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000446735986 560150763 /nfs/dbraw/zinc/15/07/63/560150763.db2.gz MQUNTSANVJWUAV-MRXNPFEDSA-N 1 1 372.377 2.122 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000447941593 560174196 /nfs/dbraw/zinc/17/41/96/560174196.db2.gz LDADSZCRJYPPAY-OAHLLOKOSA-N 1 1 371.459 2.002 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447945025 560174315 /nfs/dbraw/zinc/17/43/15/560174315.db2.gz UVECMPGPHMIKDP-OAHLLOKOSA-N 1 1 355.460 2.302 20 5 FEBDMO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449464777 560230998 /nfs/dbraw/zinc/23/09/98/560230998.db2.gz ZIRXWYFGFNIXLP-OIISXLGYSA-N 1 1 360.414 2.059 20 5 FEBDMO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449464778 560231161 /nfs/dbraw/zinc/23/11/61/560231161.db2.gz ZIRXWYFGFNIXLP-UAGQMJEPSA-N 1 1 360.414 2.059 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)CC[C@H]21 ZINC000450146947 560252140 /nfs/dbraw/zinc/25/21/40/560252140.db2.gz MJONSJUMEMHXSJ-HZPDHXFCSA-N 1 1 369.425 2.337 20 5 FEBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451260547 560296614 /nfs/dbraw/zinc/29/66/14/560296614.db2.gz UTXQOOXBQWTZMW-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3C[C@H](O)C[C@H]3[C@@H]3CCCOC3)n2)c1 ZINC000451305779 560299150 /nfs/dbraw/zinc/29/91/50/560299150.db2.gz WPKGEFUHCVOIJP-BMFZPTHFSA-N 1 1 374.397 2.007 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451418399 560305787 /nfs/dbraw/zinc/30/57/87/560305787.db2.gz MREYVOWRINWJGW-BMFZPTHFSA-N 1 1 363.414 2.167 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1cccnc1 ZINC000451545924 560313742 /nfs/dbraw/zinc/31/37/42/560313742.db2.gz HXNQXEWBPGZVRJ-KRWDZBQOSA-N 1 1 354.410 2.486 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)NCc1cccnc1 ZINC000451545924 560313743 /nfs/dbraw/zinc/31/37/43/560313743.db2.gz HXNQXEWBPGZVRJ-KRWDZBQOSA-N 1 1 354.410 2.486 20 5 FEBDMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547205 560313756 /nfs/dbraw/zinc/31/37/56/560313756.db2.gz KNYDNKNTIDNVNQ-UWWQBHOKSA-N 1 1 361.442 2.458 20 5 FEBDMO C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547205 560313757 /nfs/dbraw/zinc/31/37/57/560313757.db2.gz KNYDNKNTIDNVNQ-UWWQBHOKSA-N 1 1 361.442 2.458 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000451558281 560314565 /nfs/dbraw/zinc/31/45/65/560314565.db2.gz FTSWKENTORRKCG-IUODEOHRSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571839 560315412 /nfs/dbraw/zinc/31/54/12/560315412.db2.gz QFSXCHYUAOTZNV-LRDDRELGSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451571839 560315413 /nfs/dbraw/zinc/31/54/13/560315413.db2.gz QFSXCHYUAOTZNV-LRDDRELGSA-N 1 1 351.403 2.289 20 5 FEBDMO CC1(C)C[C@H](O)CC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000451804110 560329645 /nfs/dbraw/zinc/32/96/45/560329645.db2.gz APSUSVANBBOXRX-CQSZACIVSA-N 1 1 363.414 2.376 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000451857655 560332894 /nfs/dbraw/zinc/33/28/94/560332894.db2.gz UXEYXAXFGLNONA-HOTGVXAUSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])c1 ZINC000451857655 560332895 /nfs/dbraw/zinc/33/28/95/560332895.db2.gz UXEYXAXFGLNONA-HOTGVXAUSA-N 1 1 363.414 2.431 20 5 FEBDMO CO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451862947 560333163 /nfs/dbraw/zinc/33/31/63/560333163.db2.gz YKYVMRHFJMQBCB-DLBZAZTESA-N 1 1 359.426 2.373 20 5 FEBDMO CO[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451862947 560333164 /nfs/dbraw/zinc/33/31/64/560333164.db2.gz YKYVMRHFJMQBCB-DLBZAZTESA-N 1 1 359.426 2.373 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)cc2F)c1 ZINC000451976472 560341769 /nfs/dbraw/zinc/34/17/69/560341769.db2.gz YFRNGYGSCMQOLU-CZUORRHYSA-N 1 1 352.341 2.268 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000452095052 560350885 /nfs/dbraw/zinc/35/08/85/560350885.db2.gz KMUHZOPIXNMNDR-AWEZNQCLSA-N 1 1 355.460 2.315 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[N@H+](C2CC2)C1 ZINC000452176803 560354691 /nfs/dbraw/zinc/35/46/91/560354691.db2.gz VYFRIHDOVGPRTN-LBPRGKRZSA-N 1 1 370.409 2.405 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452355159 560359693 /nfs/dbraw/zinc/35/96/93/560359693.db2.gz XBDCYQMGNAWPCO-DZGCQCFKSA-N 1 1 367.471 2.038 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452382814 560362221 /nfs/dbraw/zinc/36/22/21/560362221.db2.gz NAXXHSPPNBBZDM-ZDUSSCGKSA-N 1 1 367.471 2.283 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000452730073 560372432 /nfs/dbraw/zinc/37/24/32/560372432.db2.gz LNOUMIDAVWUKKS-UHFFFAOYSA-N 1 1 371.441 2.271 20 5 FEBDMO CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453258003 560384781 /nfs/dbraw/zinc/38/47/81/560384781.db2.gz HLAZRFJHONBKCV-ZBFHGGJFSA-N 1 1 351.447 2.491 20 5 FEBDMO CCOc1ccc([C@@H](C)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000453258003 560384782 /nfs/dbraw/zinc/38/47/82/560384782.db2.gz HLAZRFJHONBKCV-ZBFHGGJFSA-N 1 1 351.447 2.491 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000454929733 560463812 /nfs/dbraw/zinc/46/38/12/560463812.db2.gz QRQIJAYCRBUXET-CQSZACIVSA-N 1 1 350.419 2.180 20 5 FEBDMO COc1cc(OCC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456981005 560541916 /nfs/dbraw/zinc/54/19/16/560541916.db2.gz DWQMRWVDHGKZKB-MRXNPFEDSA-N 1 1 371.393 2.155 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCCC2(C)C)c([N+](=O)[O-])cc1OC ZINC000457070025 560546763 /nfs/dbraw/zinc/54/67/63/560546763.db2.gz GEDAXHUEDKKOCR-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO CC[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000458514708 560628874 /nfs/dbraw/zinc/62/88/74/560628874.db2.gz RLIWCSKMIAYFGW-NVXWUHKLSA-N 1 1 364.446 2.192 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459797651 560708843 /nfs/dbraw/zinc/70/88/43/560708843.db2.gz SGFYOZHJIMVHDD-XYJFISCASA-N 1 1 364.442 2.208 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000461457472 560772194 /nfs/dbraw/zinc/77/21/94/560772194.db2.gz TZHHNAZGOFPYST-HOTGVXAUSA-N 1 1 369.425 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000461457472 560772195 /nfs/dbraw/zinc/77/21/95/560772195.db2.gz TZHHNAZGOFPYST-HOTGVXAUSA-N 1 1 369.425 2.220 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1[N+](=O)[O-] ZINC000461457472 560772196 /nfs/dbraw/zinc/77/21/96/560772196.db2.gz TZHHNAZGOFPYST-HOTGVXAUSA-N 1 1 369.425 2.220 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000463451836 560815406 /nfs/dbraw/zinc/81/54/06/560815406.db2.gz QOFYOPCRPHSCLB-CQSZACIVSA-N 1 1 357.370 2.036 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000466017121 560877928 /nfs/dbraw/zinc/87/79/28/560877928.db2.gz CMLIKXCSJCJPEW-CQSZACIVSA-N 1 1 374.441 2.384 20 5 FEBDMO COc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1[N+](=O)[O-] ZINC000468772776 560938505 /nfs/dbraw/zinc/93/85/05/560938505.db2.gz BCYQTDRWOCKKKG-UHFFFAOYSA-N 1 1 356.425 2.358 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000469163254 560948774 /nfs/dbraw/zinc/94/87/74/560948774.db2.gz IEHCNACNZXFLCH-CHWSQXEVSA-N 1 1 371.459 2.097 20 5 FEBDMO O=C(NC[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1 ZINC000469848367 560966492 /nfs/dbraw/zinc/96/64/92/560966492.db2.gz IZSGVUVLBMAMAK-QMMRJVTOSA-N 1 1 372.469 2.188 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000473956482 561062132 /nfs/dbraw/zinc/06/21/32/561062132.db2.gz MLNHZNYVGSXLFU-WDEREUQCSA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000473956482 561062133 /nfs/dbraw/zinc/06/21/33/561062133.db2.gz MLNHZNYVGSXLFU-WDEREUQCSA-N 1 1 361.489 2.363 20 5 FEBDMO COC(=O)COc1ccc(CNCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000474345583 561071908 /nfs/dbraw/zinc/07/19/08/561071908.db2.gz OAILGMFJQNWTAM-CQSZACIVSA-N 1 1 365.430 2.111 20 5 FEBDMO COC(=O)COc1ccc(CNCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000474345583 561071909 /nfs/dbraw/zinc/07/19/09/561071909.db2.gz OAILGMFJQNWTAM-CQSZACIVSA-N 1 1 365.430 2.111 20 5 FEBDMO COc1ccc(CSCC(=O)N(C)CC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000474568649 561076982 /nfs/dbraw/zinc/07/69/82/561076982.db2.gz RCKODARSMFBYGQ-UHFFFAOYSA-N 1 1 367.471 2.389 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000475102733 561090513 /nfs/dbraw/zinc/09/05/13/561090513.db2.gz USHIPIWERDIIDC-GFCCVEGCSA-N 1 1 362.386 2.073 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)[C@H](C)c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000475102733 561090514 /nfs/dbraw/zinc/09/05/14/561090514.db2.gz USHIPIWERDIIDC-GFCCVEGCSA-N 1 1 362.386 2.073 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000475570086 561100108 /nfs/dbraw/zinc/10/01/08/561100108.db2.gz DPKBXAYWGXSRET-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO COC(=O)C[C@H]1CSCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000475902851 561107505 /nfs/dbraw/zinc/10/75/05/561107505.db2.gz WZAIVXHFTJXQGX-AWEZNQCLSA-N 1 1 354.428 2.344 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])nn2C)C1 ZINC000476067139 561110752 /nfs/dbraw/zinc/11/07/52/561110752.db2.gz ZSFHMRALFMFCCZ-CQSZACIVSA-N 1 1 371.441 2.490 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000530299350 562406090 /nfs/dbraw/zinc/40/60/90/562406090.db2.gz GMZRLLYMFORPPU-UHFFFAOYSA-N 1 1 369.381 2.473 20 5 FEBDMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000532174878 562469836 /nfs/dbraw/zinc/46/98/36/562469836.db2.gz HEDUFUFAHRAMNM-FUHWJXTLSA-N 1 1 372.425 2.449 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2nc(C)ncc2C1 ZINC000533239778 562502540 /nfs/dbraw/zinc/50/25/40/562502540.db2.gz NMEXCLDTUVJVEU-UHFFFAOYSA-N 1 1 371.397 2.089 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534247926 562528463 /nfs/dbraw/zinc/52/84/63/562528463.db2.gz GCMUMAGDXOMQET-AWEZNQCLSA-N 1 1 373.457 2.080 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534254493 562528568 /nfs/dbraw/zinc/52/85/68/562528568.db2.gz XDCDPRLCNLWWJI-UHFFFAOYSA-N 1 1 373.457 2.174 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534254493 562528569 /nfs/dbraw/zinc/52/85/69/562528569.db2.gz XDCDPRLCNLWWJI-UHFFFAOYSA-N 1 1 373.457 2.174 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000537046150 562584632 /nfs/dbraw/zinc/58/46/32/562584632.db2.gz UJFVWVZZCLYBSB-CABCVRRESA-N 1 1 364.446 2.312 20 5 FEBDMO C[N@@H+](CCc1cccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1)C1CC1 ZINC000537132728 562586237 /nfs/dbraw/zinc/58/62/37/562586237.db2.gz NZBOZUWXYLWEOW-UHFFFAOYSA-N 1 1 370.409 2.032 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000540910610 562596663 /nfs/dbraw/zinc/59/66/63/562596663.db2.gz MCQLVMCTRLFIKC-CQSZACIVSA-N 1 1 355.350 2.240 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000540910610 562596664 /nfs/dbraw/zinc/59/66/64/562596664.db2.gz MCQLVMCTRLFIKC-CQSZACIVSA-N 1 1 355.350 2.240 20 5 FEBDMO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000570048366 568443360 /nfs/dbraw/zinc/44/33/60/568443360.db2.gz RPXFVUNTDGGPEP-ZDUSSCGKSA-N 1 1 355.398 2.200 20 5 FEBDMO Cc1[nH+]ccn1[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000737498490 598339856 /nfs/dbraw/zinc/33/98/56/598339856.db2.gz GNEYFCZRUQQCFF-ZDUSSCGKSA-N 1 1 354.374 2.121 20 5 FEBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000823629596 607472538 /nfs/dbraw/zinc/47/25/38/607472538.db2.gz BEHORQWAKYRJBQ-ZFWWWQNUSA-N 1 1 369.429 2.228 20 5 FEBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(Cl)Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048524793 675008918 /nfs/dbraw/zinc/00/89/18/675008918.db2.gz AHDCUKVIKNGIBT-NZEXEKPDSA-N 1 1 362.257 2.330 20 5 FEBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(Cl)Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001048524793 675008920 /nfs/dbraw/zinc/00/89/20/675008920.db2.gz AHDCUKVIKNGIBT-NZEXEKPDSA-N 1 1 362.257 2.330 20 5 FEBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(Cl)Cl)[C@@H]1CC1[N+](=O)[O-] ZINC001048524793 675008923 /nfs/dbraw/zinc/00/89/23/675008923.db2.gz AHDCUKVIKNGIBT-NZEXEKPDSA-N 1 1 362.257 2.330 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@@H]2C1 ZINC001048814285 675015495 /nfs/dbraw/zinc/01/54/95/675015495.db2.gz CIBQZLYVGGXLTG-OQMKEHIESA-N 1 1 367.808 2.035 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000564498224 675028574 /nfs/dbraw/zinc/02/85/74/675028574.db2.gz RLYCGKCWJHTVFS-GFCCVEGCSA-N 1 1 359.448 2.002 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000572690003 671032364 /nfs/dbraw/zinc/03/23/64/671032364.db2.gz XMXKCKCFKBQVQF-ZDUSSCGKSA-N 1 1 350.419 2.229 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000572815823 671047472 /nfs/dbraw/zinc/04/74/72/671047472.db2.gz MWVCFPOFVCTPPO-CYBMUJFWSA-N 1 1 367.471 2.398 20 5 FEBDMO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]nc2[N+](=O)[O-])cc1Br ZINC000574772696 671276233 /nfs/dbraw/zinc/27/62/33/671276233.db2.gz CDOKQISSDSKCJG-UHFFFAOYSA-N 1 1 368.191 2.394 20 5 FEBDMO C[NH+](C)C[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000575450130 671313750 /nfs/dbraw/zinc/31/37/50/671313750.db2.gz QMRLZVBFVYCFTN-LLVKDONJSA-N 1 1 351.794 2.047 20 5 FEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000576024337 671338718 /nfs/dbraw/zinc/33/87/18/671338718.db2.gz WFMVZJAWUBVGMS-LOWVWBTDSA-N 1 1 350.341 2.205 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000580186478 671788767 /nfs/dbraw/zinc/78/87/67/671788767.db2.gz WBAZOLSRGLKTQE-AWEZNQCLSA-N 1 1 367.471 2.452 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000580980949 671852379 /nfs/dbraw/zinc/85/23/79/671852379.db2.gz JLHZRFZKMIVMJO-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000610133818 675955972 /nfs/dbraw/zinc/95/59/72/675955972.db2.gz IJFRZMMUTRRQSZ-DJIMGWMZSA-N 1 1 352.431 2.470 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000610135190 675956292 /nfs/dbraw/zinc/95/62/92/675956292.db2.gz MEDREMDZTAJSRN-NWDGAFQWSA-N 1 1 359.423 2.227 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123978509 671988534 /nfs/dbraw/zinc/98/85/34/671988534.db2.gz YHVLZBHERYQNMW-GHMZBOCLSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000123978509 671988538 /nfs/dbraw/zinc/98/85/38/671988538.db2.gz YHVLZBHERYQNMW-GHMZBOCLSA-N 1 1 373.862 2.460 20 5 FEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000126304129 672023059 /nfs/dbraw/zinc/02/30/59/672023059.db2.gz KEFUSHAQIRGDAK-MWLCHTKSSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000126304129 672023061 /nfs/dbraw/zinc/02/30/61/672023061.db2.gz KEFUSHAQIRGDAK-MWLCHTKSSA-N 1 1 359.835 2.152 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000584581727 672202226 /nfs/dbraw/zinc/20/22/26/672202226.db2.gz WLEJKAKYWLVARR-USXIJHARSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000584581727 672202228 /nfs/dbraw/zinc/20/22/28/672202228.db2.gz WLEJKAKYWLVARR-USXIJHARSA-N 1 1 350.415 2.226 20 5 FEBDMO C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@@H]2C1 ZINC000585798988 672235790 /nfs/dbraw/zinc/23/57/90/672235790.db2.gz VLMUNKOUUQEGMC-KGLIPLIRSA-N 1 1 361.423 2.355 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)[C@@H]2C1 ZINC000585798988 672235792 /nfs/dbraw/zinc/23/57/92/672235792.db2.gz VLMUNKOUUQEGMC-KGLIPLIRSA-N 1 1 361.423 2.355 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000173903790 672355389 /nfs/dbraw/zinc/35/53/89/672355389.db2.gz DFNJWQLOKYQOIY-LBPRGKRZSA-N 1 1 354.838 2.460 20 5 FEBDMO COC(=O)[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000177427927 672382770 /nfs/dbraw/zinc/38/27/70/672382770.db2.gz XISGYNHZRCYNSN-HNNXBMFYSA-N 1 1 355.778 2.072 20 5 FEBDMO COC(=O)[C@@]1(C)CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000177427927 672382773 /nfs/dbraw/zinc/38/27/73/672382773.db2.gz XISGYNHZRCYNSN-HNNXBMFYSA-N 1 1 355.778 2.072 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000589236427 672516247 /nfs/dbraw/zinc/51/62/47/672516247.db2.gz MCWNAGXGRUFOTN-GFCCVEGCSA-N 1 1 359.448 2.002 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)cc1SC ZINC000590445427 672583322 /nfs/dbraw/zinc/58/33/22/672583322.db2.gz LWHLAYJGNFOGCJ-MFKMUULPSA-N 1 1 351.428 2.101 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000590539739 672587991 /nfs/dbraw/zinc/58/79/91/672587991.db2.gz ZXSGUFNNWYDRNI-CHWSQXEVSA-N 1 1 351.378 2.252 20 5 FEBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000611615052 676047765 /nfs/dbraw/zinc/04/77/65/676047765.db2.gz HGNXQHBKNUXICK-LBPRGKRZSA-N 1 1 355.341 2.410 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000592367164 672792605 /nfs/dbraw/zinc/79/26/05/672792605.db2.gz WVIIAICSSPKQIR-UHFFFAOYSA-N 1 1 361.423 2.456 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@H](C)CO1 ZINC000593060907 672870169 /nfs/dbraw/zinc/87/01/69/672870169.db2.gz FMKRHUJYKWOXED-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C(=O)N1c1cnn(C)c1 ZINC000612185429 676072649 /nfs/dbraw/zinc/07/26/49/676072649.db2.gz CVTOCWBEUSHFOV-BMIGLBTASA-N 1 1 363.805 2.265 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000594473912 673080747 /nfs/dbraw/zinc/08/07/47/673080747.db2.gz GXRHTMYBANSQAV-UHFFFAOYSA-N 1 1 355.460 2.398 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594483702 673088122 /nfs/dbraw/zinc/08/81/22/673088122.db2.gz NZTDJNVTORWAFA-HOCLYGCPSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000462576531 673264992 /nfs/dbraw/zinc/26/49/92/673264992.db2.gz UNJIADJTUQIKKR-HNNXBMFYSA-N 1 1 367.471 2.446 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000595701103 673284112 /nfs/dbraw/zinc/28/41/12/673284112.db2.gz PSHRJXNSUCCBBT-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000595701103 673284115 /nfs/dbraw/zinc/28/41/15/673284115.db2.gz PSHRJXNSUCCBBT-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)c([N+](=O)[O-])s1 ZINC000596071653 673356151 /nfs/dbraw/zinc/35/61/51/673356151.db2.gz QEAQUXCLFARXQA-UHFFFAOYSA-N 1 1 362.459 2.379 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596433975 673384856 /nfs/dbraw/zinc/38/48/56/673384856.db2.gz VYDYBJNLBPPMCW-CHWSQXEVSA-N 1 1 351.403 2.293 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000596433975 673384859 /nfs/dbraw/zinc/38/48/59/673384859.db2.gz VYDYBJNLBPPMCW-CHWSQXEVSA-N 1 1 351.403 2.293 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1OC(F)F ZINC000596539691 673392408 /nfs/dbraw/zinc/39/24/08/673392408.db2.gz PVVYASQETMQXTG-CYBMUJFWSA-N 1 1 357.357 2.232 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@H]2C1 ZINC000597100209 673447750 /nfs/dbraw/zinc/44/77/50/673447750.db2.gz GPMFHBSUUZPTJV-ZANVPECISA-N 1 1 353.810 2.388 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000597176324 673453959 /nfs/dbraw/zinc/45/39/59/673453959.db2.gz UWAQBHRJSIBMJS-NSHDSACASA-N 1 1 353.329 2.310 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1 ZINC000597176324 673453962 /nfs/dbraw/zinc/45/39/62/673453962.db2.gz UWAQBHRJSIBMJS-NSHDSACASA-N 1 1 353.329 2.310 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)c([N+](=O)[O-])cc1F ZINC000597574713 673488860 /nfs/dbraw/zinc/48/88/60/673488860.db2.gz GZYUZOPFDYDKQP-CHWSQXEVSA-N 1 1 355.341 2.001 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000599414260 673672271 /nfs/dbraw/zinc/67/22/71/673672271.db2.gz CIQNCFHLVCAAPV-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO COc1ccc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000599543279 673689802 /nfs/dbraw/zinc/68/98/02/673689802.db2.gz OVGQYWXZWAKOLC-HNNXBMFYSA-N 1 1 350.415 2.357 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632063 673699721 /nfs/dbraw/zinc/69/97/21/673699721.db2.gz TXXVWDHIHCMLMK-OKXMYEFYSA-N 1 1 365.455 2.217 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000544660600 673724013 /nfs/dbraw/zinc/72/40/13/673724013.db2.gz JWFGYLOWDBYRLB-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cnn(C)c1 ZINC000742390217 673726161 /nfs/dbraw/zinc/72/61/61/673726161.db2.gz CUFIWLWHPVEABD-ZUZCIYMTSA-N 1 1 363.805 2.265 20 5 FEBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000600104933 673741062 /nfs/dbraw/zinc/74/10/62/673741062.db2.gz CONFOWQUSGDRRO-UHFFFAOYSA-N 1 1 353.806 2.185 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000601422434 673860088 /nfs/dbraw/zinc/86/00/88/673860088.db2.gz VPXUKQYCGCKJLJ-MRXNPFEDSA-N 1 1 371.434 2.149 20 5 FEBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000603121126 673917742 /nfs/dbraw/zinc/91/77/42/673917742.db2.gz YCPLHZQESFWOGJ-LSDHHAIUSA-N 1 1 367.833 2.477 20 5 FEBDMO Cn1cc(C[N@H+](C)C[C@H](O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566823764 675245319 /nfs/dbraw/zinc/24/53/19/675245319.db2.gz MVAGSHVLWFIEGM-ZDUSSCGKSA-N 1 1 358.320 2.350 20 5 FEBDMO Cn1cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000566823764 675245322 /nfs/dbraw/zinc/24/53/22/675245322.db2.gz MVAGSHVLWFIEGM-ZDUSSCGKSA-N 1 1 358.320 2.350 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000820159721 675340178 /nfs/dbraw/zinc/34/01/78/675340178.db2.gz PCXLULUZWXWDMD-RYUDHWBXSA-N 1 1 353.394 2.352 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000827139770 675733044 /nfs/dbraw/zinc/73/30/44/675733044.db2.gz DXVYHZULXXRCFY-ZWNOBZJWSA-N 1 1 368.231 2.458 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])CC[C@H]2N1 ZINC000827139770 675733046 /nfs/dbraw/zinc/73/30/46/675733046.db2.gz DXVYHZULXXRCFY-ZWNOBZJWSA-N 1 1 368.231 2.458 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000615833533 676231484 /nfs/dbraw/zinc/23/14/84/676231484.db2.gz XMAFOHAYKSPCBE-GLNPCMGASA-N 1 1 353.444 2.012 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000615833533 676231485 /nfs/dbraw/zinc/23/14/85/676231485.db2.gz XMAFOHAYKSPCBE-GLNPCMGASA-N 1 1 353.444 2.012 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838913227 680727402 /nfs/dbraw/zinc/72/74/02/680727402.db2.gz ZKFRUWSJOSHHFQ-AEGPPILISA-N 1 1 366.439 2.482 20 5 FEBDMO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000839493632 680756684 /nfs/dbraw/zinc/75/66/84/680756684.db2.gz ZBUMRROETUHREK-ZDUSSCGKSA-N 1 1 352.822 2.355 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839559426 680761656 /nfs/dbraw/zinc/76/16/56/680761656.db2.gz XKGSWKBZKXSABY-JTQLQIEISA-N 1 1 356.810 2.032 20 5 FEBDMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)C[C@H](C)[N@@H+]1CCO ZINC000839614335 680766723 /nfs/dbraw/zinc/76/67/23/680766723.db2.gz NFVQQLVLEZDWGJ-TXEJJXNPSA-N 1 1 372.263 2.244 20 5 FEBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000747960340 679916359 /nfs/dbraw/zinc/91/63/59/679916359.db2.gz ZLXRISGXCZLFNL-CYBMUJFWSA-N 1 1 353.423 2.028 20 5 FEBDMO CC[N@@H+](CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000831076069 679917910 /nfs/dbraw/zinc/91/79/10/679917910.db2.gz XKEZVGADWRMYJO-ZDUSSCGKSA-N 1 1 363.336 2.019 20 5 FEBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(Cl)sc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139838 680101154 /nfs/dbraw/zinc/10/11/54/680101154.db2.gz NWPWWJYNVFMSCM-ZYUZMQFOSA-N 1 1 364.254 2.457 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000832690410 680165873 /nfs/dbraw/zinc/16/58/73/680165873.db2.gz GESOGFFYGIWWGA-BXKDBHETSA-N 1 1 354.204 2.133 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000832761075 680173889 /nfs/dbraw/zinc/17/38/89/680173889.db2.gz HODOZFSENQMJGE-LBPRGKRZSA-N 1 1 361.851 2.351 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000981765193 680250668 /nfs/dbraw/zinc/25/06/68/680250668.db2.gz UIAUFMALVLMRQK-HZPDHXFCSA-N 1 1 363.845 2.430 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@H+](Cc1cccc(Cl)c1)C2 ZINC000981765193 680250669 /nfs/dbraw/zinc/25/06/69/680250669.db2.gz UIAUFMALVLMRQK-HZPDHXFCSA-N 1 1 363.845 2.430 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](Cc1cccc(Cl)c1)C2 ZINC000981765193 680250670 /nfs/dbraw/zinc/25/06/70/680250670.db2.gz UIAUFMALVLMRQK-HZPDHXFCSA-N 1 1 363.845 2.430 20 5 FEBDMO CCN1CCN(CC(C)(C)NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000837134986 680557759 /nfs/dbraw/zinc/55/77/59/680557759.db2.gz OSAPGQQXIJCMBY-UHFFFAOYSA-N 1 1 368.865 2.394 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000767462279 680912777 /nfs/dbraw/zinc/91/27/77/680912777.db2.gz PNYPLSPXAXKOEL-MRXNPFEDSA-N 1 1 366.849 2.162 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768852715 680961638 /nfs/dbraw/zinc/96/16/38/680961638.db2.gz JEUAZRKCWZRDRR-TUAOUCFPSA-N 1 1 361.489 2.301 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000769908431 681000134 /nfs/dbraw/zinc/00/01/34/681000134.db2.gz QEUVQIDADGKKEI-GWCFXTLKSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000769908431 681000135 /nfs/dbraw/zinc/00/01/35/681000135.db2.gz QEUVQIDADGKKEI-GWCFXTLKSA-N 1 1 373.862 2.318 20 5 FEBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccnc(Cl)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050325857 681045119 /nfs/dbraw/zinc/04/51/19/681045119.db2.gz OVRMVOFFKLHSGG-NMFUWQPSSA-N 1 1 366.849 2.165 20 5 FEBDMO Cc1cc(C[NH+]2CCC3(CN(C(=O)[C@@H]4CC4[N+](=O)[O-])C3)CC2)c(C)s1 ZINC001050518679 681049470 /nfs/dbraw/zinc/04/94/70/681049470.db2.gz DQRULTSVDDOCSC-HZPDHXFCSA-N 1 1 363.483 2.455 20 5 FEBDMO CN(CC[N@@H+](C)CCO)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000912600504 685404908 /nfs/dbraw/zinc/40/49/08/685404908.db2.gz VMPZFDKCCGQDMS-UHFFFAOYSA-N 1 1 368.192 2.037 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000845740204 681149971 /nfs/dbraw/zinc/14/99/71/681149971.db2.gz YHUYCHLSXACJBG-NSHDSACASA-N 1 1 350.371 2.396 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334830 681553267 /nfs/dbraw/zinc/55/32/67/681553267.db2.gz XLAAOOFNVGWABG-KBPBESRZSA-N 1 1 363.439 2.356 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848583422 681583546 /nfs/dbraw/zinc/58/35/46/681583546.db2.gz YYHIVJXGYICVCI-LBPRGKRZSA-N 1 1 357.357 2.413 20 5 FEBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000849447564 681739472 /nfs/dbraw/zinc/73/94/72/681739472.db2.gz QZHYNWBMDUETKY-UHFFFAOYSA-N 1 1 368.242 2.084 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000779902380 681769673 /nfs/dbraw/zinc/76/96/73/681769673.db2.gz OZVRQIXYIYWJOI-GHMZBOCLSA-N 1 1 361.851 2.318 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCCCCO)CC2)cc1Cl ZINC000913695004 685482587 /nfs/dbraw/zinc/48/25/87/685482587.db2.gz NJAGCTJBLCBSSE-UHFFFAOYSA-N 1 1 369.849 2.477 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781567702 681948945 /nfs/dbraw/zinc/94/89/45/681948945.db2.gz QKZGXPIWDPSPIE-AWEZNQCLSA-N 1 1 350.375 2.036 20 5 FEBDMO Cc1cc(S(=O)(=O)N2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc([N+](=O)[O-])c1F ZINC000918360002 685538749 /nfs/dbraw/zinc/53/87/49/685538749.db2.gz PDJBRMYMDJTQQD-IYBDPMFKSA-N 1 1 371.434 2.005 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@@H](Cn4ccnn4)C3)c2c1 ZINC000853522311 682427470 /nfs/dbraw/zinc/42/74/70/682427470.db2.gz MPPAGLJVRNCYAO-LLVKDONJSA-N 1 1 360.399 2.443 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@@H](Cn4ccnn4)C3)c2c1 ZINC000853522311 682427473 /nfs/dbraw/zinc/42/74/73/682427473.db2.gz MPPAGLJVRNCYAO-LLVKDONJSA-N 1 1 360.399 2.443 20 5 FEBDMO C[C@@H]1CCSCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000790478728 682681267 /nfs/dbraw/zinc/68/12/67/682681267.db2.gz CEJYHJPOKTZNHP-GFCCVEGCSA-N 1 1 364.427 2.148 20 5 FEBDMO C[C@@H]1CCSCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000790478728 682681269 /nfs/dbraw/zinc/68/12/69/682681269.db2.gz CEJYHJPOKTZNHP-GFCCVEGCSA-N 1 1 364.427 2.148 20 5 FEBDMO CN1CC[NH+](CCCNc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856723183 682798199 /nfs/dbraw/zinc/79/81/99/682798199.db2.gz XRMUBFXMARDMJJ-UHFFFAOYSA-N 1 1 357.252 2.407 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)[N@@H+](C)C1CC1 ZINC000795819811 683095191 /nfs/dbraw/zinc/09/51/91/683095191.db2.gz UVOYAVTXBOBBGC-QMMMGPOBSA-N 1 1 365.814 2.148 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796294950 683150694 /nfs/dbraw/zinc/15/06/94/683150694.db2.gz SOEBUAAYZVLFFN-JSGCOSHPSA-N 1 1 362.304 2.056 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000796294950 683150698 /nfs/dbraw/zinc/15/06/98/683150698.db2.gz SOEBUAAYZVLFFN-JSGCOSHPSA-N 1 1 362.304 2.056 20 5 FEBDMO O=C(C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859923188 683173265 /nfs/dbraw/zinc/17/32/65/683173265.db2.gz VJCWKAMZBREXEV-MEDUHNTESA-N 1 1 353.806 2.281 20 5 FEBDMO O=C(C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000859923188 683173267 /nfs/dbraw/zinc/17/32/67/683173267.db2.gz VJCWKAMZBREXEV-MEDUHNTESA-N 1 1 353.806 2.281 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000860193607 683214213 /nfs/dbraw/zinc/21/42/13/683214213.db2.gz BFXBWQILXYPBEV-GFCCVEGCSA-N 1 1 361.851 2.009 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000860193607 683214215 /nfs/dbraw/zinc/21/42/15/683214215.db2.gz BFXBWQILXYPBEV-GFCCVEGCSA-N 1 1 361.851 2.009 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1Cl ZINC000860253645 683223082 /nfs/dbraw/zinc/22/30/82/683223082.db2.gz FIUNHIMZNVTBLS-LBPRGKRZSA-N 1 1 355.822 2.215 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000860917570 683316112 /nfs/dbraw/zinc/31/61/12/683316112.db2.gz NXIZJZURDRQFIB-UHFFFAOYSA-N 1 1 368.865 2.394 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000920315980 683334034 /nfs/dbraw/zinc/33/40/34/683334034.db2.gz SQSLLMADESHHCF-WDEREUQCSA-N 1 1 359.835 2.153 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000920456877 683342936 /nfs/dbraw/zinc/34/29/36/683342936.db2.gz FAFMPLUQRLCEIX-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000928094204 683384461 /nfs/dbraw/zinc/38/44/61/683384461.db2.gz AMAKRRMCNPEVAD-WFASDCNBSA-N 1 1 360.439 2.386 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000928446104 683453340 /nfs/dbraw/zinc/45/33/40/683453340.db2.gz VDHVHERKRCQDQE-SMDDNHRTSA-N 1 1 353.444 2.156 20 5 FEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921681311 683542277 /nfs/dbraw/zinc/54/22/77/683542277.db2.gz UTXZORLSZAMKMJ-HOTGVXAUSA-N 1 1 364.471 2.016 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000862793325 683634990 /nfs/dbraw/zinc/63/49/90/683634990.db2.gz MTNVIYPHPUEKBV-LBPRGKRZSA-N 1 1 352.410 2.262 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866205562 684083042 /nfs/dbraw/zinc/08/30/42/684083042.db2.gz MTCQGMDWLXZYJF-ABAIWWIYSA-N 1 1 351.378 2.441 20 5 FEBDMO C[N@@H+]1CC=C(CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000867228736 684229661 /nfs/dbraw/zinc/22/96/61/684229661.db2.gz AVEDMVUDATZVQZ-UHFFFAOYSA-N 1 1 368.231 2.278 20 5 FEBDMO C[N@H+]1CC[C@H]1CNC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000931731347 684338550 /nfs/dbraw/zinc/33/85/50/684338550.db2.gz AUYVGCFMMACCPC-QPUJVOFHSA-N 1 1 364.299 2.341 20 5 FEBDMO CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000869240362 684596515 /nfs/dbraw/zinc/59/65/15/684596515.db2.gz ZPLVZNSRGZRQBM-LBPRGKRZSA-N 1 1 370.247 2.452 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872661847 684999235 /nfs/dbraw/zinc/99/92/35/684999235.db2.gz DEKDQFXSGYSFBU-ZIAGYGMSSA-N 1 1 353.444 2.069 20 5 FEBDMO CC(C)[N@@H+](CCO)CC1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000910861848 685130130 /nfs/dbraw/zinc/13/01/30/685130130.db2.gz YNUIMFUFXOBSOX-UHFFFAOYSA-N 1 1 355.460 2.211 20 5 FEBDMO Cn1cc(C[N@H+](C)C[C@@H](O)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000877587482 686417060 /nfs/dbraw/zinc/41/70/60/686417060.db2.gz DDWBYROCQTXBSO-CYBMUJFWSA-N 1 1 369.219 2.256 20 5 FEBDMO Cn1cc(C[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000877587482 686417064 /nfs/dbraw/zinc/41/70/64/686417064.db2.gz DDWBYROCQTXBSO-CYBMUJFWSA-N 1 1 369.219 2.256 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877740126 686447597 /nfs/dbraw/zinc/44/75/97/686447597.db2.gz VBNKRGVPXDOVQF-KGLIPLIRSA-N 1 1 366.439 2.332 20 5 FEBDMO CC[N@@H+]1[C@H](C)CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000878835650 686671494 /nfs/dbraw/zinc/67/14/94/686671494.db2.gz BTBWZGFGNBFBCT-BETUJISGSA-N 1 1 352.410 2.477 20 5 FEBDMO CCN1[C@H](C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000878835650 686671499 /nfs/dbraw/zinc/67/14/99/686671499.db2.gz BTBWZGFGNBFBCT-BETUJISGSA-N 1 1 352.410 2.477 20 5 FEBDMO CCN1[C@H](C)C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000878835650 686671502 /nfs/dbraw/zinc/67/15/02/686671502.db2.gz BTBWZGFGNBFBCT-BETUJISGSA-N 1 1 352.410 2.477 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@@H]21 ZINC000879583415 686863637 /nfs/dbraw/zinc/86/36/37/686863637.db2.gz YUUONQVVUHQOKW-LRDDRELGSA-N 1 1 350.394 2.089 20 5 FEBDMO O=C(C[N@@H+]1CC[C@H](c2nccs2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880318659 687033676 /nfs/dbraw/zinc/03/36/76/687033676.db2.gz KCYVGQWIYZNOKV-ZDUSSCGKSA-N 1 1 358.423 2.430 20 5 FEBDMO O=C(C[N@H+]1CC[C@H](c2nccs2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880318659 687033681 /nfs/dbraw/zinc/03/36/81/687033681.db2.gz KCYVGQWIYZNOKV-ZDUSSCGKSA-N 1 1 358.423 2.430 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000881880770 687245663 /nfs/dbraw/zinc/24/56/63/687245663.db2.gz DVVCHBFBQIYNOD-LBPRGKRZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000881880770 687245669 /nfs/dbraw/zinc/24/56/69/687245669.db2.gz DVVCHBFBQIYNOD-LBPRGKRZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000884954481 687973375 /nfs/dbraw/zinc/97/33/75/687973375.db2.gz FNOZMBXJRDXROK-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000888283255 688577067 /nfs/dbraw/zinc/57/70/67/688577067.db2.gz LVCNPANRDKNBLN-LLVKDONJSA-N 1 1 356.810 2.087 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000888283255 688577070 /nfs/dbraw/zinc/57/70/70/688577070.db2.gz LVCNPANRDKNBLN-LLVKDONJSA-N 1 1 356.810 2.087 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000888285155 688577217 /nfs/dbraw/zinc/57/72/17/688577217.db2.gz VXBRVBKKMLDIJP-IINYFYTJSA-N 1 1 356.810 2.397 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000888285155 688577219 /nfs/dbraw/zinc/57/72/19/688577219.db2.gz VXBRVBKKMLDIJP-IINYFYTJSA-N 1 1 356.810 2.397 20 5 FEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000894407736 689525932 /nfs/dbraw/zinc/52/59/32/689525932.db2.gz BGCRYIYQYUINFN-MNOVXSKESA-N 1 1 364.320 2.302 20 5 FEBDMO COc1c(O)ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1[N+](=O)[O-] ZINC000894407736 689525935 /nfs/dbraw/zinc/52/59/35/689525935.db2.gz BGCRYIYQYUINFN-MNOVXSKESA-N 1 1 364.320 2.302 20 5 FEBDMO COc1cc([C@H](C)[NH2+]CC(C)(C)N2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903064894 690840888 /nfs/dbraw/zinc/84/08/88/690840888.db2.gz AYLPYEIFXJUMIW-AWEZNQCLSA-N 1 1 350.463 2.280 20 5 FEBDMO COc1cc(CN2CC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904405350 691025274 /nfs/dbraw/zinc/02/52/74/691025274.db2.gz LCXKYULWTGEEJH-NSHDSACASA-N 1 1 359.373 2.418 20 5 FEBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C)cc1[N+](=O)[O-])C2 ZINC001164811017 720073539 /nfs/dbraw/zinc/07/35/39/720073539.db2.gz NAMFEHMGNKLUSM-APWZRJJASA-N 1 1 360.458 2.483 20 5 FEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(F)cc1[N+](=O)[O-])C2 ZINC001164807990 720086997 /nfs/dbraw/zinc/08/69/97/720086997.db2.gz GUMQKKPBRVQHLY-KBXCAEBGSA-N 1 1 364.421 2.314 20 5 FEBDMO COc1cnc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164790750 721406977 /nfs/dbraw/zinc/40/69/77/721406977.db2.gz XWXXRQIHWVPDOY-TXEJJXNPSA-N 1 1 361.427 2.023 20 5 FEBDMO COc1cnc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001164790750 721406980 /nfs/dbraw/zinc/40/69/80/721406980.db2.gz XWXXRQIHWVPDOY-TXEJJXNPSA-N 1 1 361.427 2.023 20 5 FEBDMO O=[N+]([O-])c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164901676 721512213 /nfs/dbraw/zinc/51/22/13/721512213.db2.gz XYBFFZRJSFCJBX-NVXWUHKLSA-N 1 1 358.373 2.471 20 5 FEBDMO COc1ccc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000026063311 539776137 /nfs/dbraw/zinc/77/61/37/539776137.db2.gz WPWNRKCNKRFMSM-HNNXBMFYSA-N 1 1 365.430 2.080 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2ccccc2)CC1 ZINC000028791082 539837554 /nfs/dbraw/zinc/83/75/54/539837554.db2.gz IDKXHGRSMMTRBY-UHFFFAOYSA-N 1 1 369.421 2.361 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000041644058 540028986 /nfs/dbraw/zinc/02/89/86/540028986.db2.gz YWKRYRKUADGDIC-KBPBESRZSA-N 1 1 362.430 2.221 20 5 FEBDMO CCCNC(=O)C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000042685572 540073871 /nfs/dbraw/zinc/07/38/71/540073871.db2.gz MQIGMYHJKPTZMI-UHFFFAOYSA-N 1 1 373.413 2.383 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000043151406 540092157 /nfs/dbraw/zinc/09/21/57/540092157.db2.gz BONBORQCEHJQKC-HNNXBMFYSA-N 1 1 350.419 2.382 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000045744897 540224964 /nfs/dbraw/zinc/22/49/64/540224964.db2.gz CUSGDAJKXVQRAC-OLZOCXBDSA-N 1 1 371.459 2.002 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000045744864 540225123 /nfs/dbraw/zinc/22/51/23/540225123.db2.gz PIURGLHEQFNKJR-STQMWFEESA-N 1 1 371.459 2.002 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000047668741 540323348 /nfs/dbraw/zinc/32/33/48/540323348.db2.gz PUDPZBFNPPZFSQ-UHFFFAOYSA-N 1 1 352.416 2.085 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051708308 540441291 /nfs/dbraw/zinc/44/12/91/540441291.db2.gz GKVFOHRZCNHTHQ-UHFFFAOYSA-N 1 1 362.474 2.279 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051708308 540441292 /nfs/dbraw/zinc/44/12/92/540441292.db2.gz GKVFOHRZCNHTHQ-UHFFFAOYSA-N 1 1 362.474 2.279 20 5 FEBDMO CCN(CC)C(=O)CN1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051708308 540441296 /nfs/dbraw/zinc/44/12/96/540441296.db2.gz GKVFOHRZCNHTHQ-UHFFFAOYSA-N 1 1 362.474 2.279 20 5 FEBDMO CCN(CC)C(=O)CN1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051708308 540441299 /nfs/dbraw/zinc/44/12/99/540441299.db2.gz GKVFOHRZCNHTHQ-UHFFFAOYSA-N 1 1 362.474 2.279 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C1 ZINC000052247558 540460163 /nfs/dbraw/zinc/46/01/63/540460163.db2.gz QDIOEXPYDHHMJM-ZDUSSCGKSA-N 1 1 370.475 2.166 20 5 FEBDMO Cc1nn(C)c(NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000051914697 540447844 /nfs/dbraw/zinc/44/78/44/540447844.db2.gz DCHOTQBNEFJQIV-QGZVFWFLSA-N 1 1 372.473 2.427 20 5 FEBDMO Cc1nn(C)c(NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000051914697 540447845 /nfs/dbraw/zinc/44/78/45/540447845.db2.gz DCHOTQBNEFJQIV-QGZVFWFLSA-N 1 1 372.473 2.427 20 5 FEBDMO Cc1nn(C)c(NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1[N+](=O)[O-] ZINC000051914697 540447846 /nfs/dbraw/zinc/44/78/46/540447846.db2.gz DCHOTQBNEFJQIV-QGZVFWFLSA-N 1 1 372.473 2.427 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000052891680 540497776 /nfs/dbraw/zinc/49/77/76/540497776.db2.gz PREBONUJXYMXQT-UHFFFAOYSA-N 1 1 355.460 2.256 20 5 FEBDMO Cc1cc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000066860352 541381954 /nfs/dbraw/zinc/38/19/54/541381954.db2.gz PIEUJJFOLGUKHX-UHFFFAOYSA-N 1 1 360.458 2.284 20 5 FEBDMO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386993 541453227 /nfs/dbraw/zinc/45/32/27/541453227.db2.gz BUROCIBEZWPHTJ-QGZVFWFLSA-N 1 1 359.382 2.347 20 5 FEBDMO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000067386993 541453232 /nfs/dbraw/zinc/45/32/32/541453232.db2.gz BUROCIBEZWPHTJ-QGZVFWFLSA-N 1 1 359.382 2.347 20 5 FEBDMO CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068240001 541567234 /nfs/dbraw/zinc/56/72/34/541567234.db2.gz AAZDGNCORZNSKA-ZDUSSCGKSA-N 1 1 367.402 2.068 20 5 FEBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])NCC[NH+]1Cc2ccccc2C1 ZINC000068407432 541588578 /nfs/dbraw/zinc/58/85/78/541588578.db2.gz APXDIYJJCLAHGI-UHFFFAOYSA-N 1 1 369.425 2.322 20 5 FEBDMO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000071826305 541773774 /nfs/dbraw/zinc/77/37/74/541773774.db2.gz UHVKHJWXRQPIGE-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072808052 541869286 /nfs/dbraw/zinc/86/92/86/541869286.db2.gz PYYYJXYZFUJNQA-HOCLYGCPSA-N 1 1 363.462 2.213 20 5 FEBDMO CNC(=O)c1cccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000072959286 541897832 /nfs/dbraw/zinc/89/78/32/541897832.db2.gz YYIPAKZQOZHDAH-UHFFFAOYSA-N 1 1 354.410 2.277 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073032690 541910965 /nfs/dbraw/zinc/91/09/65/541910965.db2.gz RBWFCGFTMHTXDI-GOSISDBHSA-N 1 1 354.410 2.313 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073032690 541910970 /nfs/dbraw/zinc/91/09/70/541910970.db2.gz RBWFCGFTMHTXDI-GOSISDBHSA-N 1 1 354.410 2.313 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000073858883 542008117 /nfs/dbraw/zinc/00/81/17/542008117.db2.gz ZYKQCQZXAARLCV-UHFFFAOYSA-N 1 1 369.368 2.200 20 5 FEBDMO C[C@H](CC[NH+]1CCOCC1)NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000074105013 542037457 /nfs/dbraw/zinc/03/74/57/542037457.db2.gz FCBPJSFWTWYTGV-ZIAGYGMSSA-N 1 1 367.471 2.302 20 5 FEBDMO COc1cc(C[NH2+]C(C)(C)C(=O)N(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000074286169 542063092 /nfs/dbraw/zinc/06/30/92/542063092.db2.gz ODPNCYYNEYVACL-UHFFFAOYSA-N 1 1 361.345 2.161 20 5 FEBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000074798308 542122372 /nfs/dbraw/zinc/12/23/72/542122372.db2.gz ZKBPRBDNKYZXOH-KRWDZBQOSA-N 1 1 367.409 2.346 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000079709680 542538189 /nfs/dbraw/zinc/53/81/89/542538189.db2.gz ILVQLWMDQJOWBY-NVXWUHKLSA-N 1 1 371.441 2.351 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000080054260 542560750 /nfs/dbraw/zinc/56/07/50/542560750.db2.gz KMANPCREFWJLQA-UHFFFAOYSA-N 1 1 372.429 2.022 20 5 FEBDMO CCc1nn(C)c(NCc2ccccc2C[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000092827265 542889490 /nfs/dbraw/zinc/88/94/90/542889490.db2.gz VEJIZAGVZLZZOM-UHFFFAOYSA-N 1 1 359.430 2.335 20 5 FEBDMO COCCOC[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093754130 542939582 /nfs/dbraw/zinc/93/95/82/542939582.db2.gz ZEPYYQVRGHQTFX-OAHLLOKOSA-N 1 1 374.441 2.480 20 5 FEBDMO COc1cc[nH+]c(N2CCN(Cc3cc([N+](=O)[O-])ccc3OC)CC2)c1 ZINC000104719064 543139292 /nfs/dbraw/zinc/13/92/92/543139292.db2.gz WBYWWUTWHZYBTJ-UHFFFAOYSA-N 1 1 358.398 2.329 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccco1 ZINC000109310028 543321000 /nfs/dbraw/zinc/32/10/00/543321000.db2.gz QTVAHQHPMOKQTE-INIZCTEOSA-N 1 1 369.381 2.406 20 5 FEBDMO COC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)C ZINC000109574837 543327516 /nfs/dbraw/zinc/32/75/16/543327516.db2.gz JQUOCEXOGHYNBO-UHFFFAOYSA-N 1 1 352.387 2.482 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000109980980 543345467 /nfs/dbraw/zinc/34/54/67/543345467.db2.gz BUZSUCQDOHSHAH-HNNXBMFYSA-N 1 1 351.451 2.261 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@@H](N2CCCC2=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000111294286 543393489 /nfs/dbraw/zinc/39/34/89/543393489.db2.gz QFSUOAOROIFOIZ-CQSZACIVSA-N 1 1 360.414 2.010 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000112918600 543468021 /nfs/dbraw/zinc/46/80/21/543468021.db2.gz FTUKJEZHRNJISM-UHFFFAOYSA-N 1 1 351.451 2.152 20 5 FEBDMO CCC[N@H+]1CCCN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000114190088 543506893 /nfs/dbraw/zinc/50/68/93/543506893.db2.gz MXWCRSWTPXHBOB-UHFFFAOYSA-N 1 1 364.446 2.350 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247473990 549340646 /nfs/dbraw/zinc/34/06/46/549340646.db2.gz VNLSDYHXVGSHIY-IAGOWNOFSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247473990 549340649 /nfs/dbraw/zinc/34/06/49/549340649.db2.gz VNLSDYHXVGSHIY-IAGOWNOFSA-N 1 1 363.414 2.112 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@H+]1C ZINC000124666915 543835902 /nfs/dbraw/zinc/83/59/02/543835902.db2.gz CHYVQKBAHWVQJZ-CXAGYDPISA-N 1 1 357.414 2.335 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1C ZINC000125108391 543861800 /nfs/dbraw/zinc/86/18/00/543861800.db2.gz VJCLVEFPRJGKFI-UHFFFAOYSA-N 1 1 367.471 2.461 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1C ZINC000126276915 543927999 /nfs/dbraw/zinc/92/79/99/543927999.db2.gz BNKPEEYIAZLIGN-WCQYABFASA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1C ZINC000126276915 543928001 /nfs/dbraw/zinc/92/80/01/543928001.db2.gz BNKPEEYIAZLIGN-WCQYABFASA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000126382561 543932914 /nfs/dbraw/zinc/93/29/14/543932914.db2.gz SPEOGQNBTSJVKH-UHFFFAOYSA-N 1 1 355.358 2.018 20 5 FEBDMO NC(=O)[C@H]1CCCN(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000127961183 544024589 /nfs/dbraw/zinc/02/45/89/544024589.db2.gz YTMPGJXPEXHOJL-ZWKOTPCHSA-N 1 1 374.485 2.093 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000128019468 544028053 /nfs/dbraw/zinc/02/80/53/544028053.db2.gz ARMZJUHIYPFJPK-NEPJUHHUSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000128019468 544028056 /nfs/dbraw/zinc/02/80/56/544028056.db2.gz ARMZJUHIYPFJPK-NEPJUHHUSA-N 1 1 353.806 2.231 20 5 FEBDMO C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCN1C ZINC000128830168 544075680 /nfs/dbraw/zinc/07/56/80/544075680.db2.gz MIZILFIHSUADMV-CHWSQXEVSA-N 1 1 352.410 2.477 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000129228601 544098667 /nfs/dbraw/zinc/09/86/67/544098667.db2.gz UENRRJVXGFLBCF-UHFFFAOYSA-N 1 1 362.474 2.279 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000129228601 544098670 /nfs/dbraw/zinc/09/86/70/544098670.db2.gz UENRRJVXGFLBCF-UHFFFAOYSA-N 1 1 362.474 2.279 20 5 FEBDMO CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000131379352 544188266 /nfs/dbraw/zinc/18/82/66/544188266.db2.gz DYCYAXRDBAUVRU-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000130934922 544171397 /nfs/dbraw/zinc/17/13/97/544171397.db2.gz INRJCYMJWHJQLX-UHFFFAOYSA-N 1 1 355.441 2.413 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1Cl ZINC000131678715 544201095 /nfs/dbraw/zinc/20/10/95/544201095.db2.gz VRYXYAHNQXCINN-ZDUSSCGKSA-N 1 1 355.822 2.215 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000134372005 544305618 /nfs/dbraw/zinc/30/56/18/544305618.db2.gz DHHXOVWYPMJOQB-OAHLLOKOSA-N 1 1 353.419 2.271 20 5 FEBDMO CC[C@@]1(C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCO1 ZINC000135673307 544358881 /nfs/dbraw/zinc/35/88/81/544358881.db2.gz KWCPDQIVOKCIKP-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000139355194 544402130 /nfs/dbraw/zinc/40/21/30/544402130.db2.gz UJDYYDSJBWFOEY-UHFFFAOYSA-N 1 1 368.865 2.252 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839572 544404879 /nfs/dbraw/zinc/40/48/79/544404879.db2.gz HQUGYORKNNLVMW-ZBFHGGJFSA-N 1 1 374.441 2.309 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)CC[C@@H]21 ZINC000139839572 544404880 /nfs/dbraw/zinc/40/48/80/544404880.db2.gz HQUGYORKNNLVMW-ZBFHGGJFSA-N 1 1 374.441 2.309 20 5 FEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000247517142 549348810 /nfs/dbraw/zinc/34/88/10/549348810.db2.gz NAOCYMSDVUHLMT-BRWVUGGUSA-N 1 1 366.462 2.212 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153286526 544755847 /nfs/dbraw/zinc/75/58/47/544755847.db2.gz RVVDZFJICWTNRB-OLZOCXBDSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153286526 544755851 /nfs/dbraw/zinc/75/58/51/544755851.db2.gz RVVDZFJICWTNRB-OLZOCXBDSA-N 1 1 351.403 2.167 20 5 FEBDMO COC(=O)[C@H](C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000153755416 544818017 /nfs/dbraw/zinc/81/80/17/544818017.db2.gz NJCBUZMUVJPFMG-SNVBAGLBSA-N 1 1 369.805 2.460 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000153755416 544818020 /nfs/dbraw/zinc/81/80/20/544818020.db2.gz NJCBUZMUVJPFMG-SNVBAGLBSA-N 1 1 369.805 2.460 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1OC ZINC000153834616 544830366 /nfs/dbraw/zinc/83/03/66/544830366.db2.gz REACHAMIEVAVQA-OAHLLOKOSA-N 1 1 365.430 2.414 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1OC ZINC000153834616 544830369 /nfs/dbraw/zinc/83/03/69/544830369.db2.gz REACHAMIEVAVQA-OAHLLOKOSA-N 1 1 365.430 2.414 20 5 FEBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154037232 544856586 /nfs/dbraw/zinc/85/65/86/544856586.db2.gz WTKDRAZGRLJLBF-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000154037232 544856590 /nfs/dbraw/zinc/85/65/90/544856590.db2.gz WTKDRAZGRLJLBF-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CC[C@H](Oc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000154109621 544864777 /nfs/dbraw/zinc/86/47/77/544864777.db2.gz SFKKLLADTGCDIY-ROUUACIJSA-N 1 1 368.393 2.248 20 5 FEBDMO O=C1[C@@H]([N@H+]2CC[C@H](Oc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000154109621 544864783 /nfs/dbraw/zinc/86/47/83/544864783.db2.gz SFKKLLADTGCDIY-ROUUACIJSA-N 1 1 368.393 2.248 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000553043140 674235284 /nfs/dbraw/zinc/23/52/84/674235284.db2.gz MFPVBMLCEOVUHE-QWHCGFSZSA-N 1 1 351.403 2.211 20 5 FEBDMO CC(C)[C@@H](C(=O)OCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000803494480 674246283 /nfs/dbraw/zinc/24/62/83/674246283.db2.gz FZZMAPVZKXMERX-AWEZNQCLSA-N 1 1 357.794 2.316 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(OC)CC2)c([N+](=O)[O-])c1 ZINC000553385094 674256946 /nfs/dbraw/zinc/25/69/46/674256946.db2.gz IFYKSKFIVMCCDV-GFCCVEGCSA-N 1 1 351.403 2.431 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000182576646 327780795 /nfs/dbraw/zinc/78/07/95/327780795.db2.gz LSWLUXLRCNKODD-UHFFFAOYSA-N 1 1 372.381 2.152 20 5 FEBDMO CC[N@H+](CC(N)=O)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000188072427 328063971 /nfs/dbraw/zinc/06/39/71/328063971.db2.gz GYKYAUYGLOUUKO-UHFFFAOYSA-N 1 1 373.409 2.490 20 5 FEBDMO CC[N@@H+](CC(N)=O)Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000188072427 328063973 /nfs/dbraw/zinc/06/39/73/328063973.db2.gz GYKYAUYGLOUUKO-UHFFFAOYSA-N 1 1 373.409 2.490 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000189696402 328162699 /nfs/dbraw/zinc/16/26/99/328162699.db2.gz AWVHYVOAAUWHKW-UHFFFAOYSA-N 1 1 357.414 2.396 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189961666 328179083 /nfs/dbraw/zinc/17/90/83/328179083.db2.gz OZWDBIBFLMKYAL-UHFFFAOYSA-N 1 1 352.416 2.030 20 5 FEBDMO Cc1c(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000193715051 328391434 /nfs/dbraw/zinc/39/14/34/328391434.db2.gz GTOISDRVVOZRIM-BETUJISGSA-N 1 1 350.419 2.476 20 5 FEBDMO Cc1c(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000193715051 328391436 /nfs/dbraw/zinc/39/14/36/328391436.db2.gz GTOISDRVVOZRIM-BETUJISGSA-N 1 1 350.419 2.476 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000079461263 325091885 /nfs/dbraw/zinc/09/18/85/325091885.db2.gz YNYISEFPSMYXRS-PBHICJAKSA-N 1 1 360.458 2.146 20 5 FEBDMO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1F)C1([NH+]2CCOCC2)CCCC1 ZINC000081741174 325194979 /nfs/dbraw/zinc/19/49/79/325194979.db2.gz AZDCXGMMBOLDIX-ZDUSSCGKSA-N 1 1 365.405 2.497 20 5 FEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000089303377 325310982 /nfs/dbraw/zinc/31/09/82/325310982.db2.gz OTUZITDNTQTGLB-LJQANCHMSA-N 1 1 369.421 2.155 20 5 FEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000089303377 325310983 /nfs/dbraw/zinc/31/09/83/325310983.db2.gz OTUZITDNTQTGLB-LJQANCHMSA-N 1 1 369.421 2.155 20 5 FEBDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090551503 325362818 /nfs/dbraw/zinc/36/28/18/325362818.db2.gz QMWWXTLJJBJKNE-CANCMXDXSA-N 1 1 363.439 2.187 20 5 FEBDMO CC[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000106395923 325596663 /nfs/dbraw/zinc/59/66/63/325596663.db2.gz AYMDNWBZPJMHOU-HNNXBMFYSA-N 1 1 363.458 2.421 20 5 FEBDMO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCN(C)CC1 ZINC000120812212 326290349 /nfs/dbraw/zinc/29/03/49/326290349.db2.gz ULSGRODLUNVEJF-QFBILLFUSA-N 1 1 360.502 2.389 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000122345017 326393320 /nfs/dbraw/zinc/39/33/20/326393320.db2.gz ZTOIUTLYRQMEHM-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000134916593 326633424 /nfs/dbraw/zinc/63/34/24/326633424.db2.gz SORMSXYZWHAFHL-ZDUSSCGKSA-N 1 1 367.833 2.433 20 5 FEBDMO C[NH+]1CCN([C@@H](C(=O)NCc2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 ZINC000171163280 327121688 /nfs/dbraw/zinc/12/16/88/327121688.db2.gz RGWKCLVMMAISNE-LJQANCHMSA-N 1 1 368.437 2.200 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000171367911 327135157 /nfs/dbraw/zinc/13/51/57/327135157.db2.gz KEGXIRMIFUDKCM-ZDUSSCGKSA-N 1 1 361.402 2.430 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000172558357 327208277 /nfs/dbraw/zinc/20/82/77/327208277.db2.gz COXVTXGWCLCYEN-HNNXBMFYSA-N 1 1 350.419 2.085 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000172683909 327214396 /nfs/dbraw/zinc/21/43/96/327214396.db2.gz NUTRKTIXJRMTJV-MLGOLLRUSA-N 1 1 363.443 2.052 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000173313109 327249420 /nfs/dbraw/zinc/24/94/20/327249420.db2.gz ZJLOAFGDDGINTB-UHFFFAOYSA-N 1 1 352.416 2.167 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000173428191 327256135 /nfs/dbraw/zinc/25/61/35/327256135.db2.gz LDZLHKWDGKRNJR-UHFFFAOYSA-N 1 1 360.418 2.291 20 5 FEBDMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173578534 327268536 /nfs/dbraw/zinc/26/85/36/327268536.db2.gz WIXDKFBZNBICHB-HNNXBMFYSA-N 1 1 365.430 2.315 20 5 FEBDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000173578534 327268538 /nfs/dbraw/zinc/26/85/38/327268538.db2.gz WIXDKFBZNBICHB-HNNXBMFYSA-N 1 1 365.430 2.315 20 5 FEBDMO CCc1ccc(C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174227901 327314196 /nfs/dbraw/zinc/31/41/96/327314196.db2.gz SORPVVVJMCHLNB-GOSISDBHSA-N 1 1 362.474 2.159 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1OC ZINC000174537878 327333414 /nfs/dbraw/zinc/33/34/14/327333414.db2.gz JDYOUIMWEMDGCN-CYBMUJFWSA-N 1 1 365.430 2.416 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772784 327350014 /nfs/dbraw/zinc/35/00/14/327350014.db2.gz ZTZABZHEAQMNDO-PBHICJAKSA-N 1 1 360.458 2.146 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000175397919 327390925 /nfs/dbraw/zinc/39/09/25/327390925.db2.gz OSCRNLDQKSACHD-OAHLLOKOSA-N 1 1 355.460 2.262 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000264379641 329016436 /nfs/dbraw/zinc/01/64/36/329016436.db2.gz FHQBCHZYOWNEFG-KRWDZBQOSA-N 1 1 360.458 2.145 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3ccc([N+](=O)[O-])cn3)c2)C1 ZINC000264520328 329032236 /nfs/dbraw/zinc/03/22/36/329032236.db2.gz ZWYUPHKXLGTSOB-INIZCTEOSA-N 1 1 369.425 2.299 20 5 FEBDMO C[C@H](CNC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)C[NH+]1CCOCC1 ZINC000265753093 329156969 /nfs/dbraw/zinc/15/69/69/329156969.db2.gz XHLJWSROKZOGGR-ZIAGYGMSSA-N 1 1 367.471 2.160 20 5 FEBDMO COc1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960581 329176899 /nfs/dbraw/zinc/17/68/99/329176899.db2.gz QBXKDJZIQWHGCK-QWHCGFSZSA-N 1 1 365.430 2.462 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266095523 329189739 /nfs/dbraw/zinc/18/97/39/329189739.db2.gz FEDIDSLFCKKMDI-CYBMUJFWSA-N 1 1 363.414 2.312 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000266648340 329245776 /nfs/dbraw/zinc/24/57/76/329245776.db2.gz NDAPOBXNQYEFEK-CQSZACIVSA-N 1 1 373.413 2.151 20 5 FEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266701906 329250873 /nfs/dbraw/zinc/25/08/73/329250873.db2.gz GPKMTTCMRJBJOK-OAHLLOKOSA-N 1 1 362.430 2.242 20 5 FEBDMO COC(=O)c1cc(N2CC[NH+](Cc3ccncc3)CC2)cc(C)c1[N+](=O)[O-] ZINC000267956083 329371597 /nfs/dbraw/zinc/37/15/97/329371597.db2.gz KWPUCYVUBJWAOR-UHFFFAOYSA-N 1 1 370.409 2.407 20 5 FEBDMO COC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1 ZINC000271855458 329731141 /nfs/dbraw/zinc/73/11/41/329731141.db2.gz XNJKFLWAHFNQGG-AWEZNQCLSA-N 1 1 373.365 2.239 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000276553089 330164162 /nfs/dbraw/zinc/16/41/62/330164162.db2.gz HZGILWKYRWRFLC-LLVKDONJSA-N 1 1 355.822 2.255 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367155193 330223296 /nfs/dbraw/zinc/22/32/96/330223296.db2.gz BHMLLRKULQGSRK-IAGOWNOFSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000367155193 330223298 /nfs/dbraw/zinc/22/32/98/330223298.db2.gz BHMLLRKULQGSRK-IAGOWNOFSA-N 1 1 363.414 2.112 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000804778590 674300912 /nfs/dbraw/zinc/30/09/12/674300912.db2.gz WRWHEYYWHQRPBD-LBPRGKRZSA-N 1 1 352.410 2.404 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000156000031 545590682 /nfs/dbraw/zinc/59/06/82/545590682.db2.gz RLNDTVULDCYLCF-CXAGYDPISA-N 1 1 372.425 2.009 20 5 FEBDMO CC[NH+](CC)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000159447212 545953836 /nfs/dbraw/zinc/95/38/36/545953836.db2.gz QEUXLLBMRDYFQV-AWEZNQCLSA-N 1 1 361.402 2.139 20 5 FEBDMO Cc1sc(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000159977108 545996873 /nfs/dbraw/zinc/99/68/73/545996873.db2.gz MEOWNUXJAYFSLE-UHFFFAOYSA-N 1 1 355.460 2.395 20 5 FEBDMO CCC[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000161218048 546110957 /nfs/dbraw/zinc/11/09/57/546110957.db2.gz UNZJWZBJXUWGRC-KRWDZBQOSA-N 1 1 364.446 2.237 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000480011421 561201244 /nfs/dbraw/zinc/20/12/44/561201244.db2.gz GQHCRLYCEHXFHE-GOSISDBHSA-N 1 1 359.430 2.169 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1CCn1ccc([N+](=O)[O-])n1)C(=O)OC(C)(C)C ZINC000176285212 546427241 /nfs/dbraw/zinc/42/72/41/546427241.db2.gz WANNZTXJTOGVTH-ZDUSSCGKSA-N 1 1 353.423 2.123 20 5 FEBDMO C[N@@H+](CCNc1cnn(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cl)C1CC1 ZINC000480366545 561207879 /nfs/dbraw/zinc/20/78/79/561207879.db2.gz MNCNKUUKMPMCFR-UHFFFAOYSA-N 1 1 363.805 2.300 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000176969655 546516242 /nfs/dbraw/zinc/51/62/42/546516242.db2.gz TZMXHOJCQMREJC-UHFFFAOYSA-N 1 1 351.403 2.294 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@H+]2CCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000176969655 546516248 /nfs/dbraw/zinc/51/62/48/546516248.db2.gz TZMXHOJCQMREJC-UHFFFAOYSA-N 1 1 351.403 2.294 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(c4ccnn4CCO)CC3)nc2c1 ZINC000177034320 546527968 /nfs/dbraw/zinc/52/79/68/546527968.db2.gz GLPUVEXQWXYGSY-UHFFFAOYSA-N 1 1 371.397 2.304 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000481155812 561226665 /nfs/dbraw/zinc/22/66/65/561226665.db2.gz PUZZWCWTVBKARY-LBPRGKRZSA-N 1 1 373.413 2.381 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000483058188 561266143 /nfs/dbraw/zinc/26/61/43/561266143.db2.gz ZBMXPSARRDIXCJ-GUYCJALGSA-N 1 1 363.414 2.192 20 5 FEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000181905583 547400860 /nfs/dbraw/zinc/40/08/60/547400860.db2.gz XCCRRFWXOHLDFA-RRQGHBQHSA-N 1 1 352.431 2.470 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181919431 547404835 /nfs/dbraw/zinc/40/48/35/547404835.db2.gz LDQFDIKEAFYLJX-OAHLLOKOSA-N 1 1 369.487 2.175 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182876676 547564598 /nfs/dbraw/zinc/56/45/98/547564598.db2.gz WGHMOKOMRKWMOM-PXAZEXFGSA-N 1 1 371.397 2.045 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)C1 ZINC000182991806 547584560 /nfs/dbraw/zinc/58/45/60/547584560.db2.gz TVSDQMGOMXJGMP-LBPRGKRZSA-N 1 1 359.423 2.005 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000183204071 547619826 /nfs/dbraw/zinc/61/98/26/547619826.db2.gz MGOHDDHIHXABQA-GHMZBOCLSA-N 1 1 360.357 2.450 20 5 FEBDMO CC[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1Cc1ccccc1 ZINC000183756638 547713941 /nfs/dbraw/zinc/71/39/41/547713941.db2.gz DWAWMMGRTBIFFI-GOSISDBHSA-N 1 1 370.453 2.353 20 5 FEBDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183911718 547739169 /nfs/dbraw/zinc/73/91/69/547739169.db2.gz BYKJQOQROWKJOF-KRWDZBQOSA-N 1 1 371.441 2.458 20 5 FEBDMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000184306439 547804596 /nfs/dbraw/zinc/80/45/96/547804596.db2.gz CEPOQBQHCSBRFT-GFCCVEGCSA-N 1 1 354.838 2.004 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H](C)C1 ZINC000184413011 547823389 /nfs/dbraw/zinc/82/33/89/547823389.db2.gz CDRSJBSJIPLMCW-CXAGYDPISA-N 1 1 364.446 2.044 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000184759368 547875534 /nfs/dbraw/zinc/87/55/34/547875534.db2.gz OBYWVITUQOWQSG-AEFFLSMTSA-N 1 1 363.458 2.391 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000184844649 547885973 /nfs/dbraw/zinc/88/59/73/547885973.db2.gz YQLVPYXAYKCITP-KRWDZBQOSA-N 1 1 373.457 2.373 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000186946947 548226962 /nfs/dbraw/zinc/22/69/62/548226962.db2.gz XTQADFKEJZDLPW-BETUJISGSA-N 1 1 350.419 2.183 20 5 FEBDMO C[NH+](C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000194630630 548509439 /nfs/dbraw/zinc/50/94/39/548509439.db2.gz AXCNAENKVPRKBI-HNNXBMFYSA-N 1 1 361.423 2.276 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000194741257 548524964 /nfs/dbraw/zinc/52/49/64/548524964.db2.gz DJQSBWQILFWKBD-AWEZNQCLSA-N 1 1 357.414 2.132 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000245522088 548938782 /nfs/dbraw/zinc/93/87/82/548938782.db2.gz LKWRNXKCTVVMIT-GOEBONIOSA-N 1 1 367.471 2.464 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000245522088 548938786 /nfs/dbraw/zinc/93/87/86/548938786.db2.gz LKWRNXKCTVVMIT-GOEBONIOSA-N 1 1 367.471 2.464 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000246392262 549123102 /nfs/dbraw/zinc/12/31/02/549123102.db2.gz PKONERWFIYQWLE-WCQYABFASA-N 1 1 371.484 2.294 20 5 FEBDMO COC(=O)c1cc(C)nc(N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488734731 561395632 /nfs/dbraw/zinc/39/56/32/561395632.db2.gz RPLHDSSHMGKVJI-TYNCELHUSA-N 1 1 362.430 2.251 20 5 FEBDMO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739068 561395802 /nfs/dbraw/zinc/39/58/02/561395802.db2.gz UZENVPBLBDOCDI-NFAWXSAZSA-N 1 1 367.471 2.165 20 5 FEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739068 561395803 /nfs/dbraw/zinc/39/58/03/561395803.db2.gz UZENVPBLBDOCDI-NFAWXSAZSA-N 1 1 367.471 2.165 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC000246698914 549191292 /nfs/dbraw/zinc/19/12/92/549191292.db2.gz ZHEBPYISKVYLDU-KBPBESRZSA-N 1 1 355.460 2.315 20 5 FEBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc2C1 ZINC000246821177 549220606 /nfs/dbraw/zinc/22/06/06/549220606.db2.gz XFPVNKURQBJLEX-HKUYNNGSSA-N 1 1 358.442 2.422 20 5 FEBDMO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C[C@H](C)O ZINC000246830388 549223451 /nfs/dbraw/zinc/22/34/51/549223451.db2.gz LUZJUDHXZKPZMZ-AAEUAGOBSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000246830388 549223454 /nfs/dbraw/zinc/22/34/54/549223454.db2.gz LUZJUDHXZKPZMZ-AAEUAGOBSA-N 1 1 355.822 2.165 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247167438 549293595 /nfs/dbraw/zinc/29/35/95/549293595.db2.gz UMQKGQJPBNHWNV-HOCLYGCPSA-N 1 1 367.471 2.262 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247199119 549298173 /nfs/dbraw/zinc/29/81/73/549298173.db2.gz WEWOTGNAPFUIQQ-DZGCQCFKSA-N 1 1 353.444 2.008 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000247308326 549315573 /nfs/dbraw/zinc/31/55/73/549315573.db2.gz IDCRCLSBQAOZCU-QWHZDKJVSA-N 1 1 371.441 2.064 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000247337490 549321883 /nfs/dbraw/zinc/32/18/83/549321883.db2.gz NINWKMUSUKMGOZ-IAGOWNOFSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1nn(CCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000248133250 549409062 /nfs/dbraw/zinc/40/90/62/549409062.db2.gz WYIMCYLKOWKCMV-LPHOPBHVSA-N 1 1 371.441 2.360 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000248367146 549422430 /nfs/dbraw/zinc/42/24/30/549422430.db2.gz SYNGDZYEKMEROM-GJZGRUSLSA-N 1 1 367.471 2.459 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248504509 549451896 /nfs/dbraw/zinc/45/18/96/549451896.db2.gz VQTYLUKZKKHOCG-NHYWBVRUSA-N 1 1 373.450 2.393 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000248871478 549518193 /nfs/dbraw/zinc/51/81/93/549518193.db2.gz JUHDRTIKAOMDCG-OCCSQVGLSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000248882711 549520939 /nfs/dbraw/zinc/52/09/39/549520939.db2.gz RVGUJJVWMJRMLO-TZMCWYRMSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000248930880 549528368 /nfs/dbraw/zinc/52/83/68/549528368.db2.gz XUIWGSFLUGDNSF-CZUORRHYSA-N 1 1 354.410 2.427 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263734866 549928121 /nfs/dbraw/zinc/92/81/21/549928121.db2.gz UHUWYZLNPKGZEU-UHFFFAOYSA-N 1 1 358.807 2.122 20 5 FEBDMO O=c1c(Cl)c(NCC[NH+]2CCCC2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000263793700 549938208 /nfs/dbraw/zinc/93/82/08/549938208.db2.gz KFCIXFKPXAFNDQ-UHFFFAOYSA-N 1 1 363.805 2.302 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000493883303 561458834 /nfs/dbraw/zinc/45/88/34/561458834.db2.gz NTEQLHIYWOKCIU-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000493883303 561458835 /nfs/dbraw/zinc/45/88/35/561458835.db2.gz NTEQLHIYWOKCIU-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO COc1cc(C[N@H+](C)CC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000271054488 550335527 /nfs/dbraw/zinc/33/55/27/550335527.db2.gz SENUJVKONXUKMH-UHFFFAOYSA-N 1 1 359.382 2.100 20 5 FEBDMO COc1cc(C[N@@H+](C)CC(N)=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000271054488 550335528 /nfs/dbraw/zinc/33/55/28/550335528.db2.gz SENUJVKONXUKMH-UHFFFAOYSA-N 1 1 359.382 2.100 20 5 FEBDMO NC(=O)CCC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000271238612 550356645 /nfs/dbraw/zinc/35/66/45/550356645.db2.gz NWTXOMZKPCRIEA-UHFFFAOYSA-N 1 1 368.821 2.164 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272324369 550437698 /nfs/dbraw/zinc/43/76/98/550437698.db2.gz MIJWYXFLTDCPNT-WMLDXEAASA-N 1 1 371.441 2.127 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273458227 550499154 /nfs/dbraw/zinc/49/91/54/550499154.db2.gz HTFROYXOTVYTSV-CYBMUJFWSA-N 1 1 370.475 2.022 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277169097 550639484 /nfs/dbraw/zinc/63/94/84/550639484.db2.gz KQUUPOHYORELAD-RKNYENMMSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277169097 550639486 /nfs/dbraw/zinc/63/94/86/550639486.db2.gz KQUUPOHYORELAD-RKNYENMMSA-N 1 1 353.444 2.075 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCO1 ZINC000277433138 550669815 /nfs/dbraw/zinc/66/98/15/550669815.db2.gz GMWIIMVDMYVOJD-LBPRGKRZSA-N 1 1 355.822 2.479 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278044292 550742336 /nfs/dbraw/zinc/74/23/36/550742336.db2.gz CHGFCDDBBXSDGU-BBRMVZONSA-N 1 1 370.409 2.336 20 5 FEBDMO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278045239 550742649 /nfs/dbraw/zinc/74/26/49/550742649.db2.gz LKOWUSIJLRLCJW-ZFWWWQNUSA-N 1 1 370.409 2.336 20 5 FEBDMO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278191878 550759387 /nfs/dbraw/zinc/75/93/87/550759387.db2.gz OWRBSLRAWDRLKQ-HNNXBMFYSA-N 1 1 356.382 2.042 20 5 FEBDMO CC1(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)OCCO1 ZINC000278263153 550766460 /nfs/dbraw/zinc/76/64/60/550766460.db2.gz QRZARERBCSMNTN-UHFFFAOYSA-N 1 1 351.359 2.478 20 5 FEBDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278472766 550790364 /nfs/dbraw/zinc/79/03/64/550790364.db2.gz OANYKYXNLURFAY-UHFFFAOYSA-N 1 1 369.429 2.144 20 5 FEBDMO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000278488975 550792013 /nfs/dbraw/zinc/79/20/13/550792013.db2.gz LAGDADHUJPCOSB-CQSZACIVSA-N 1 1 372.429 2.287 20 5 FEBDMO COc1cc(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000278605424 550803718 /nfs/dbraw/zinc/80/37/18/550803718.db2.gz IUVPAGHSBJFPJF-CYBMUJFWSA-N 1 1 367.421 2.428 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@@H]21 ZINC000278643206 550807504 /nfs/dbraw/zinc/80/75/04/550807504.db2.gz JBDMGXLYDYOICR-WBMJQRKESA-N 1 1 372.429 2.097 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278748080 550817980 /nfs/dbraw/zinc/81/79/80/550817980.db2.gz RUNLGJGUFGPNJA-UHFFFAOYSA-N 1 1 360.418 2.097 20 5 FEBDMO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000495213875 561484710 /nfs/dbraw/zinc/48/47/10/561484710.db2.gz ZDDIFUUPJGVVGL-INIZCTEOSA-N 1 1 362.430 2.175 20 5 FEBDMO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000495213875 561484711 /nfs/dbraw/zinc/48/47/11/561484711.db2.gz ZDDIFUUPJGVVGL-INIZCTEOSA-N 1 1 362.430 2.175 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000279244617 550868966 /nfs/dbraw/zinc/86/89/66/550868966.db2.gz QUSFNDQYOZCGCG-KBPBESRZSA-N 1 1 350.394 2.157 20 5 FEBDMO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CCO)CCOCC1 ZINC000495465559 561488714 /nfs/dbraw/zinc/48/87/14/561488714.db2.gz PMGAWVRNMRQDLU-UHFFFAOYSA-N 1 1 362.386 2.008 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000280159485 550966281 /nfs/dbraw/zinc/96/62/81/550966281.db2.gz FGPAVMGEVVZUEQ-MLGOLLRUSA-N 1 1 358.398 2.236 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000280355265 550984295 /nfs/dbraw/zinc/98/42/95/550984295.db2.gz JJPZAFVWYWDYEC-UGSOOPFHSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000280355836 550984370 /nfs/dbraw/zinc/98/43/70/550984370.db2.gz IQCCWISXGGJESP-KSSFIOAISA-N 1 1 363.414 2.112 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCO1 ZINC000281400538 551092504 /nfs/dbraw/zinc/09/25/04/551092504.db2.gz NMLLCYXWNKUING-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283410929 551361791 /nfs/dbraw/zinc/36/17/91/551361791.db2.gz FJVZEWJOODMZLI-OCCSQVGLSA-N 1 1 353.394 2.097 20 5 FEBDMO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000283444754 551367192 /nfs/dbraw/zinc/36/71/92/551367192.db2.gz XUUQJQZBOGZHDP-ZDUSSCGKSA-N 1 1 371.459 2.069 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H](C)CS(=O)(=O)CC ZINC000283444754 551367195 /nfs/dbraw/zinc/36/71/95/551367195.db2.gz XUUQJQZBOGZHDP-ZDUSSCGKSA-N 1 1 371.459 2.069 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000283610196 551396230 /nfs/dbraw/zinc/39/62/30/551396230.db2.gz ZKIHCSDGLHKOLM-OKILXGFUSA-N 1 1 365.430 2.223 20 5 FEBDMO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl)CN1CC[NH+](C)CC1 ZINC000283672249 551406762 /nfs/dbraw/zinc/40/67/62/551406762.db2.gz FAFARBBPSFIGKP-GFCCVEGCSA-N 1 1 369.853 2.253 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750847 551421762 /nfs/dbraw/zinc/42/17/62/551421762.db2.gz OMRQUYQNTPJFLX-HZMBPMFUSA-N 1 1 350.394 2.012 20 5 FEBDMO CO[C@H]1C[C@@H](CN(C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[N@@H+](C)C1 ZINC000284509385 551565808 /nfs/dbraw/zinc/56/58/08/551565808.db2.gz BGTBMXOQFWCHCY-IRXDYDNUSA-N 1 1 374.441 2.443 20 5 FEBDMO CO[C@H]1C[C@@H](C[N@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)N(C)C1 ZINC000284509385 551565809 /nfs/dbraw/zinc/56/58/09/551565809.db2.gz BGTBMXOQFWCHCY-IRXDYDNUSA-N 1 1 374.441 2.443 20 5 FEBDMO CO[C@H]1C[C@@H](C[N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)N(C)C1 ZINC000284509385 551565810 /nfs/dbraw/zinc/56/58/10/551565810.db2.gz BGTBMXOQFWCHCY-IRXDYDNUSA-N 1 1 374.441 2.443 20 5 FEBDMO C[N@H+]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000284674777 551605003 /nfs/dbraw/zinc/60/50/03/551605003.db2.gz GNUMXMDWKHYDKM-QGZVFWFLSA-N 1 1 368.437 2.392 20 5 FEBDMO C[N@H+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000284765353 551627927 /nfs/dbraw/zinc/62/79/27/551627927.db2.gz MOGDCHLMKNSEMO-VQTJNVASSA-N 1 1 355.438 2.487 20 5 FEBDMO CN1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000284765353 551627931 /nfs/dbraw/zinc/62/79/31/551627931.db2.gz MOGDCHLMKNSEMO-VQTJNVASSA-N 1 1 355.438 2.487 20 5 FEBDMO CN1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1Cc1ccccc1 ZINC000284765353 551627933 /nfs/dbraw/zinc/62/79/33/551627933.db2.gz MOGDCHLMKNSEMO-VQTJNVASSA-N 1 1 355.438 2.487 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1OC ZINC000498712316 561532452 /nfs/dbraw/zinc/53/24/52/561532452.db2.gz WZQGNWPYNXGERR-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C(C)(C)C)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000285330858 551739560 /nfs/dbraw/zinc/73/95/60/551739560.db2.gz SEVCTGAXZSJFPN-SJORKVTESA-N 1 1 361.442 2.437 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285399443 551750051 /nfs/dbraw/zinc/75/00/51/551750051.db2.gz XRPSVNZCITZOJZ-KBPBESRZSA-N 1 1 353.806 2.102 20 5 FEBDMO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000285589988 551779452 /nfs/dbraw/zinc/77/94/52/551779452.db2.gz IPIBMFBTJAJQOG-ZYHUDNBSSA-N 1 1 353.325 2.359 20 5 FEBDMO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286044636 551842221 /nfs/dbraw/zinc/84/22/21/551842221.db2.gz QWQOZTSJLBSAFB-ZBFHGGJFSA-N 1 1 370.471 2.384 20 5 FEBDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286044636 551842222 /nfs/dbraw/zinc/84/22/22/551842222.db2.gz QWQOZTSJLBSAFB-ZBFHGGJFSA-N 1 1 370.471 2.384 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000288489859 552162201 /nfs/dbraw/zinc/16/22/01/552162201.db2.gz RMWVKBPFGUWFAO-IBGZPJMESA-N 1 1 369.425 2.067 20 5 FEBDMO Cc1cccc(NCCNc2c(Br)cncc2[N+](=O)[O-])[nH+]1 ZINC000500295430 561569733 /nfs/dbraw/zinc/56/97/33/561569733.db2.gz DKCVQAJDEUKJJU-UHFFFAOYSA-N 1 1 352.192 2.402 20 5 FEBDMO CN(C)c1cc(NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)cc[nH+]1 ZINC000500408471 561572107 /nfs/dbraw/zinc/57/21/07/561572107.db2.gz DJFLZTDLAJPZQB-UHFFFAOYSA-N 1 1 352.354 2.494 20 5 FEBDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)NC(=O)NC1=O ZINC000289661890 552357969 /nfs/dbraw/zinc/35/79/69/552357969.db2.gz NFHVIVKOKPAJNK-LRDDRELGSA-N 1 1 366.805 2.201 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290377957 552469421 /nfs/dbraw/zinc/46/94/21/552469421.db2.gz QOKHIAXCAXTGDZ-SNVBAGLBSA-N 1 1 356.810 2.032 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000500868771 561584727 /nfs/dbraw/zinc/58/47/27/561584727.db2.gz ZEHHXOAHBLUVRU-CZUORRHYSA-N 1 1 357.414 2.051 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290525661 552492772 /nfs/dbraw/zinc/49/27/72/552492772.db2.gz GSNOWMIZXNCYNQ-UONOGXRCSA-N 1 1 361.446 2.180 20 5 FEBDMO NC(=O)c1ccnc(N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1[N+](=O)[O-] ZINC000291020729 552577006 /nfs/dbraw/zinc/57/70/06/552577006.db2.gz XLPVOJBQRWSQEN-UHFFFAOYSA-N 1 1 370.413 2.006 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000291110194 552587793 /nfs/dbraw/zinc/58/77/93/552587793.db2.gz KICZSWUXVCXLSH-CYBMUJFWSA-N 1 1 353.423 2.026 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)C2)C1 ZINC000292159184 552699352 /nfs/dbraw/zinc/69/93/52/552699352.db2.gz CVPBQFQQUUVCGF-IBGZPJMESA-N 1 1 358.442 2.363 20 5 FEBDMO CC[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H](C)CO ZINC000293472218 552827237 /nfs/dbraw/zinc/82/72/37/552827237.db2.gz RCGWCJHTTJCKAX-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO CC[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H](C)CO ZINC000293472218 552827238 /nfs/dbraw/zinc/82/72/38/552827238.db2.gz RCGWCJHTTJCKAX-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293548214 552834486 /nfs/dbraw/zinc/83/44/86/552834486.db2.gz QZSWOUMUISSVMG-UHFFFAOYSA-N 1 1 363.336 2.312 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000298052556 553377645 /nfs/dbraw/zinc/37/76/45/553377645.db2.gz HZAVWNWUHCCCDE-UHFFFAOYSA-N 1 1 362.430 2.093 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000298252333 553403914 /nfs/dbraw/zinc/40/39/14/553403914.db2.gz UGVOGZXGNWVFBL-UHFFFAOYSA-N 1 1 362.430 2.141 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298919111 553489622 /nfs/dbraw/zinc/48/96/22/553489622.db2.gz HPCORSVAAQEJND-AWEZNQCLSA-N 1 1 362.386 2.299 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299238442 553535213 /nfs/dbraw/zinc/53/52/13/553535213.db2.gz IZZWYBCDDYOVOU-NSHDSACASA-N 1 1 370.837 2.423 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000299238441 553535256 /nfs/dbraw/zinc/53/52/56/553535256.db2.gz IZZWYBCDDYOVOU-LLVKDONJSA-N 1 1 370.837 2.423 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000299552680 553580013 /nfs/dbraw/zinc/58/00/13/553580013.db2.gz GEFUBDRGEXDAIG-QWRGUYRKSA-N 1 1 368.821 2.128 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301085998 553620708 /nfs/dbraw/zinc/62/07/08/553620708.db2.gz JTJFNLWQYXPQDI-XQQFMLRXSA-N 1 1 370.475 2.021 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301166122 553627403 /nfs/dbraw/zinc/62/74/03/553627403.db2.gz INFOFFOWMSCAQS-ZDUSSCGKSA-N 1 1 357.414 2.142 20 5 FEBDMO Cc1nc(N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000302482549 553718519 /nfs/dbraw/zinc/71/85/19/553718519.db2.gz WWPVPPQDFUGHBO-LJQANCHMSA-N 1 1 356.426 2.371 20 5 FEBDMO COC(=O)CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000327246981 553787121 /nfs/dbraw/zinc/78/71/21/553787121.db2.gz RXNVMQVWOAXIJM-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2)C1 ZINC000506452226 561699144 /nfs/dbraw/zinc/69/91/44/561699144.db2.gz OAOKRMJJOHWHBE-ZDUSSCGKSA-N 1 1 357.414 2.480 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](C)CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000330558396 554138073 /nfs/dbraw/zinc/13/80/73/554138073.db2.gz IIDKMXFQCFNFTR-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)CC2(C)C)c([N+](=O)[O-])cc1OC ZINC000330558396 554138075 /nfs/dbraw/zinc/13/80/75/554138075.db2.gz IIDKMXFQCFNFTR-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1SC ZINC000330602810 554144501 /nfs/dbraw/zinc/14/45/01/554144501.db2.gz HIDVYONVVQBCHX-QWRGUYRKSA-N 1 1 353.444 2.490 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1SC ZINC000330602810 554144503 /nfs/dbraw/zinc/14/45/03/554144503.db2.gz HIDVYONVVQBCHX-QWRGUYRKSA-N 1 1 353.444 2.490 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000331270730 554239219 /nfs/dbraw/zinc/23/92/19/554239219.db2.gz GDPWCXHVXCDKDZ-UHFFFAOYSA-N 1 1 355.460 2.136 20 5 FEBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520015 554279169 /nfs/dbraw/zinc/27/91/69/554279169.db2.gz NUYCXRTVLFRSQM-NOZJJQNGSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520015 554279173 /nfs/dbraw/zinc/27/91/73/554279173.db2.gz NUYCXRTVLFRSQM-NOZJJQNGSA-N 1 1 359.835 2.009 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@](O)(C(=O)N2CCCC2)C1 ZINC000331736617 554318302 /nfs/dbraw/zinc/31/83/02/554318302.db2.gz UEVYCOICDGLMPM-BEFAXECRSA-N 1 1 361.442 2.414 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000332386335 554436553 /nfs/dbraw/zinc/43/65/53/554436553.db2.gz YAHNNDZSVXCYRU-ZIAGYGMSSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000332386335 554436557 /nfs/dbraw/zinc/43/65/57/554436557.db2.gz YAHNNDZSVXCYRU-ZIAGYGMSSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3F)CC2)CCO1 ZINC000332532728 554465191 /nfs/dbraw/zinc/46/51/91/554465191.db2.gz WHXMTRHBIJEECL-LBPRGKRZSA-N 1 1 366.393 2.451 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000332569065 554473443 /nfs/dbraw/zinc/47/34/43/554473443.db2.gz CITFZGXIRIWATG-TZMCWYRMSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@@H]1C[C@H](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)C[N@H+]1Cc1ccccc1 ZINC000510200170 561828089 /nfs/dbraw/zinc/82/80/89/561828089.db2.gz WYBODKOKWRCCCN-WBVHZDCISA-N 1 1 371.441 2.208 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000510971148 561852631 /nfs/dbraw/zinc/85/26/31/561852631.db2.gz XADNVHYTDHNNMK-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000360738113 554887920 /nfs/dbraw/zinc/88/79/20/554887920.db2.gz YVYRJYBDCZXAJZ-GJZGRUSLSA-N 1 1 367.833 2.160 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000360738113 554887922 /nfs/dbraw/zinc/88/79/22/554887922.db2.gz YVYRJYBDCZXAJZ-GJZGRUSLSA-N 1 1 367.833 2.160 20 5 FEBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361014341 554900209 /nfs/dbraw/zinc/90/02/09/554900209.db2.gz YROAZMJQZFRBIJ-CFVMTHIKSA-N 1 1 371.397 2.263 20 5 FEBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361014341 554900212 /nfs/dbraw/zinc/90/02/12/554900212.db2.gz YROAZMJQZFRBIJ-CFVMTHIKSA-N 1 1 371.397 2.263 20 5 FEBDMO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCC[N@H+](C2CCOCC2)CC1 ZINC000361012770 554900297 /nfs/dbraw/zinc/90/02/97/554900297.db2.gz OLQNXRCJYQPRMC-VOTSOKGWSA-N 1 1 359.426 2.321 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000361026799 554901075 /nfs/dbraw/zinc/90/10/75/554901075.db2.gz CDVULCZZYZFKAG-RRFJBIMHSA-N 1 1 365.455 2.008 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])cn1 ZINC000362076695 554947879 /nfs/dbraw/zinc/94/78/79/554947879.db2.gz HTGXFOACZJBTFW-UHFFFAOYSA-N 1 1 352.354 2.195 20 5 FEBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000363228279 555058789 /nfs/dbraw/zinc/05/87/89/555058789.db2.gz QUHLNCADSHEXNG-AWEZNQCLSA-N 1 1 360.418 2.193 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000363642298 555153301 /nfs/dbraw/zinc/15/33/01/555153301.db2.gz YNEAWYMNLIMTRG-UHFFFAOYSA-N 1 1 374.372 2.183 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000363642298 555153302 /nfs/dbraw/zinc/15/33/02/555153302.db2.gz YNEAWYMNLIMTRG-UHFFFAOYSA-N 1 1 374.372 2.183 20 5 FEBDMO C[C@H](C(=O)N1CC[NH+]([C@H]2CCSC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000363796319 555188065 /nfs/dbraw/zinc/18/80/65/555188065.db2.gz BDLKHRROBQJPKO-JSGCOSHPSA-N 1 1 367.446 2.487 20 5 FEBDMO C[C@H](C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000363796318 555188300 /nfs/dbraw/zinc/18/83/00/555188300.db2.gz BDLKHRROBQJPKO-GXTWGEPZSA-N 1 1 367.446 2.487 20 5 FEBDMO C[NH+]1CCN(C2(CNC(=O)c3ccc([N+](=O)[O-])o3)CCCCCC2)CC1 ZINC000363902554 555210141 /nfs/dbraw/zinc/21/01/41/555210141.db2.gz ZPNIRRKEERIDQR-UHFFFAOYSA-N 1 1 364.446 2.258 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c2c(c1)COCO2 ZINC000364238785 555276276 /nfs/dbraw/zinc/27/62/76/555276276.db2.gz GONHQBCTVCDTMY-UHFFFAOYSA-N 1 1 364.398 2.233 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CCOC3(CCOCC3)CC2)c2c(c1)COCO2 ZINC000364238785 555276280 /nfs/dbraw/zinc/27/62/80/555276280.db2.gz GONHQBCTVCDTMY-UHFFFAOYSA-N 1 1 364.398 2.233 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000364400088 555306404 /nfs/dbraw/zinc/30/64/04/555306404.db2.gz NIJGRMPNVPMYPA-UHFFFAOYSA-N 1 1 354.370 2.453 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364432141 555313152 /nfs/dbraw/zinc/31/31/52/555313152.db2.gz ASMFURAKINJFBR-CVEARBPZSA-N 1 1 350.415 2.226 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364625796 555356634 /nfs/dbraw/zinc/35/66/34/555356634.db2.gz KCWWQAMFOSUSJU-ZTFGCOKTSA-N 1 1 359.426 2.229 20 5 FEBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000364956818 555449984 /nfs/dbraw/zinc/44/99/84/555449984.db2.gz QBECPTZCPUPANC-HNNXBMFYSA-N 1 1 369.425 2.214 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512831950 561917160 /nfs/dbraw/zinc/91/71/60/561917160.db2.gz GJLWVXCZKMFZMC-NSHDSACASA-N 1 1 371.340 2.454 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000365206678 555511245 /nfs/dbraw/zinc/51/12/45/555511245.db2.gz YPQKGMZZEDBPKY-CQSZACIVSA-N 1 1 353.444 2.070 20 5 FEBDMO CCOC(=O)c1ccnc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000365534984 555602108 /nfs/dbraw/zinc/60/21/08/555602108.db2.gz PMFZYAISFRZIQE-GFCCVEGCSA-N 1 1 359.386 2.284 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000365776820 555665718 /nfs/dbraw/zinc/66/57/18/555665718.db2.gz DGCAQHISYMWSSM-UKRRQHHQSA-N 1 1 360.345 2.010 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000513698247 561946916 /nfs/dbraw/zinc/94/69/16/561946916.db2.gz YFVSOQBUJRBVGD-WMLDXEAASA-N 1 1 352.398 2.288 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000366411298 555835956 /nfs/dbraw/zinc/83/59/56/555835956.db2.gz DPCOOQJFQUEGNT-UHFFFAOYSA-N 1 1 357.414 2.400 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366555600 555875556 /nfs/dbraw/zinc/87/55/56/555875556.db2.gz FSJGAQLMWZBNCA-STQMWFEESA-N 1 1 365.434 2.160 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366555600 555875560 /nfs/dbraw/zinc/87/55/60/555875560.db2.gz FSJGAQLMWZBNCA-STQMWFEESA-N 1 1 365.434 2.160 20 5 FEBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(N)cc1[N+](=O)[O-] ZINC000367331803 556020382 /nfs/dbraw/zinc/02/03/82/556020382.db2.gz HFGSROQIXFSHIH-LJQANCHMSA-N 1 1 356.426 2.250 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000367548543 556079688 /nfs/dbraw/zinc/07/96/88/556079688.db2.gz CQAFNJXFRAAVQL-NHYWBVRUSA-N 1 1 363.443 2.203 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000367548544 556079789 /nfs/dbraw/zinc/07/97/89/556079789.db2.gz CQAFNJXFRAAVQL-XHDPSFHLSA-N 1 1 363.443 2.203 20 5 FEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)n1 ZINC000368474759 556320335 /nfs/dbraw/zinc/32/03/35/556320335.db2.gz PKFFIEFIMQISSH-OAHLLOKOSA-N 1 1 352.341 2.440 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000368664935 556379600 /nfs/dbraw/zinc/37/96/00/556379600.db2.gz ZKXVPXUQLQVDLE-FSPWUOQZSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000368664935 556379602 /nfs/dbraw/zinc/37/96/02/556379602.db2.gz ZKXVPXUQLQVDLE-FSPWUOQZSA-N 1 1 374.441 2.397 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368964392 556460971 /nfs/dbraw/zinc/46/09/71/556460971.db2.gz FZEYZTGEUIMMBH-UEEZHKSASA-N 1 1 371.397 2.292 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368964392 556460973 /nfs/dbraw/zinc/46/09/73/556460973.db2.gz FZEYZTGEUIMMBH-UEEZHKSASA-N 1 1 371.397 2.292 20 5 FEBDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000368976426 556465670 /nfs/dbraw/zinc/46/56/70/556465670.db2.gz WGKZQPTZRZXLQD-JOQOYGCGSA-N 1 1 370.409 2.378 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000369378004 556585037 /nfs/dbraw/zinc/58/50/37/556585037.db2.gz DIRFPYUOQIKNMW-INIZCTEOSA-N 1 1 372.429 2.378 20 5 FEBDMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCn3c(CC(F)(F)F)nnc3C2)cc1 ZINC000369485084 556609371 /nfs/dbraw/zinc/60/93/71/556609371.db2.gz PFVPASLWEQLFHC-UHFFFAOYSA-N 1 1 355.320 2.349 20 5 FEBDMO O=[N+]([O-])c1ccc(CC[N@H+]2CCn3c(CC(F)(F)F)nnc3C2)cc1 ZINC000369485084 556609372 /nfs/dbraw/zinc/60/93/72/556609372.db2.gz PFVPASLWEQLFHC-UHFFFAOYSA-N 1 1 355.320 2.349 20 5 FEBDMO CC[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000369530842 556622612 /nfs/dbraw/zinc/62/26/12/556622612.db2.gz ILVLYGHTMCLBDY-FGTMMUONSA-N 1 1 350.415 2.288 20 5 FEBDMO CC[C@@H]1C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000369530842 556622614 /nfs/dbraw/zinc/62/26/14/556622614.db2.gz ILVLYGHTMCLBDY-FGTMMUONSA-N 1 1 350.415 2.288 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000369573317 556635335 /nfs/dbraw/zinc/63/53/35/556635335.db2.gz KPLTURRCWDJFQX-MLGOLLRUSA-N 1 1 363.443 2.052 20 5 FEBDMO CC1(C)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000369784825 556694420 /nfs/dbraw/zinc/69/44/20/556694420.db2.gz RMOHCKUXZZQAHN-SJLPKXTDSA-N 1 1 350.415 2.288 20 5 FEBDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000369784825 556694423 /nfs/dbraw/zinc/69/44/23/556694423.db2.gz RMOHCKUXZZQAHN-SJLPKXTDSA-N 1 1 350.415 2.288 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000369963293 556743084 /nfs/dbraw/zinc/74/30/84/556743084.db2.gz QGIRYRHXGJEYLU-GRGSLBFTSA-N 1 1 363.458 2.107 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](OC)CC1 ZINC000369992410 556751353 /nfs/dbraw/zinc/75/13/53/556751353.db2.gz BVCQGFMYYAOPPH-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000370233002 556817863 /nfs/dbraw/zinc/81/78/63/556817863.db2.gz LGBLRLWGRPUSTI-HNNXBMFYSA-N 1 1 372.446 2.199 20 5 FEBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000370233002 556817865 /nfs/dbraw/zinc/81/78/65/556817865.db2.gz LGBLRLWGRPUSTI-HNNXBMFYSA-N 1 1 372.446 2.199 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CN(C)c2ncc([N+](=O)[O-])cn2)[C@@H]1c1cnn(C)c1 ZINC000370409973 556864293 /nfs/dbraw/zinc/86/42/93/556864293.db2.gz KKGVSGPYQNKACJ-XJKSGUPXSA-N 1 1 359.434 2.028 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(c2cccnn2)CC1 ZINC000370439088 556873254 /nfs/dbraw/zinc/87/32/54/556873254.db2.gz CALGFQFIGHEOAQ-UHFFFAOYSA-N 1 1 357.414 2.364 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)CC2)C1 ZINC000370698498 556943724 /nfs/dbraw/zinc/94/37/24/556943724.db2.gz FVUSCPRBEMSCMM-HNNXBMFYSA-N 1 1 352.866 2.460 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370750360 556956925 /nfs/dbraw/zinc/95/69/25/556956925.db2.gz PXYGWCOJCYNOIX-BBRMVZONSA-N 1 1 373.413 2.112 20 5 FEBDMO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000371052994 557059687 /nfs/dbraw/zinc/05/96/87/557059687.db2.gz JUFBBVGYMNENFI-ZQIUZPCESA-N 1 1 369.425 2.255 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000371052994 557059690 /nfs/dbraw/zinc/05/96/90/557059690.db2.gz JUFBBVGYMNENFI-ZQIUZPCESA-N 1 1 369.425 2.255 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)c1[N+](=O)[O-] ZINC000371052994 557059692 /nfs/dbraw/zinc/05/96/92/557059692.db2.gz JUFBBVGYMNENFI-ZQIUZPCESA-N 1 1 369.425 2.255 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)n1 ZINC000371090464 557072227 /nfs/dbraw/zinc/07/22/27/557072227.db2.gz SFFPYUTUFZSJOD-UHFFFAOYSA-N 1 1 358.324 2.413 20 5 FEBDMO CCN1CCC([N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000371258560 557122112 /nfs/dbraw/zinc/12/21/12/557122112.db2.gz BGPKQYAEAUOCEA-GOSISDBHSA-N 1 1 363.458 2.283 20 5 FEBDMO COc1ccc(CSCC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000517403954 562089102 /nfs/dbraw/zinc/08/91/02/562089102.db2.gz KFWHJADVEOKODD-CYBMUJFWSA-N 1 1 365.455 2.190 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)C[C@@H]21 ZINC000371546760 557216819 /nfs/dbraw/zinc/21/68/19/557216819.db2.gz OCOFFPDQKZKLOO-KSSFIOAISA-N 1 1 358.442 2.361 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000371784279 557292523 /nfs/dbraw/zinc/29/25/23/557292523.db2.gz RCMDLJPMYGPWPK-ZDUSSCGKSA-N 1 1 353.394 2.018 20 5 FEBDMO COc1ccccc1-c1noc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)n1 ZINC000371828516 557304703 /nfs/dbraw/zinc/30/47/03/557304703.db2.gz 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O=C(Nc1c[nH+]ccc1-n1cccn1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000520316316 562153277 /nfs/dbraw/zinc/15/32/77/562153277.db2.gz GRXWMKHOGFKBMJ-UHFFFAOYSA-N 1 1 353.294 2.157 20 5 FEBDMO Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373568368 557719858 /nfs/dbraw/zinc/71/98/58/557719858.db2.gz QJSSATWRKODLDW-AEFFLSMTSA-N 1 1 374.441 2.485 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H](O)COCc3ccccc3)C2)c1 ZINC000373583197 557722879 /nfs/dbraw/zinc/72/28/79/557722879.db2.gz IVYDSNRMVXMBDA-WMZOPIPTSA-N 1 1 360.414 2.006 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCN(c2cccnn2)CC1 ZINC000373781100 557757985 /nfs/dbraw/zinc/75/79/85/557757985.db2.gz GNOBHYBRYKVCFU-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO CC(C)c1nnc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000521029744 562167833 /nfs/dbraw/zinc/16/78/33/562167833.db2.gz PNMHFBUQLANDKY-LLVKDONJSA-N 1 1 352.416 2.099 20 5 FEBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000521129864 562170061 /nfs/dbraw/zinc/17/00/61/562170061.db2.gz RDAQGQSUXBVMDG-CQSZACIVSA-N 1 1 351.451 2.198 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](OC)CC1 ZINC000374659535 557913181 /nfs/dbraw/zinc/91/31/81/557913181.db2.gz DAPWAHNKEMUOEP-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375015802 557964466 /nfs/dbraw/zinc/96/44/66/557964466.db2.gz DRSFMHBTUPANFD-ABAIWWIYSA-N 1 1 352.822 2.213 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375137328 557982499 /nfs/dbraw/zinc/98/24/99/557982499.db2.gz YUHHHAYAKFHDCD-UHFFFAOYSA-N 1 1 359.386 2.136 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000375206107 557991877 /nfs/dbraw/zinc/99/18/77/557991877.db2.gz HDLYMVUGJDRZOQ-CQSZACIVSA-N 1 1 353.444 2.031 20 5 FEBDMO CCOc1cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000375430136 558025825 /nfs/dbraw/zinc/02/58/25/558025825.db2.gz WFZIAWLOHBYZPD-IAGOWNOFSA-N 1 1 363.458 2.415 20 5 FEBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598423 558054803 /nfs/dbraw/zinc/05/48/03/558054803.db2.gz NGNDAQNEBNHWJF-BJJXKVORSA-N 1 1 360.414 2.042 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000375942233 558103304 /nfs/dbraw/zinc/10/33/04/558103304.db2.gz ORGSYHIIYKNLMT-UHFFFAOYSA-N 1 1 363.805 2.381 20 5 FEBDMO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@H+]1CCC[C@H](C)C1 ZINC000521845361 562184671 /nfs/dbraw/zinc/18/46/71/562184671.db2.gz OAQHGEYTMLERQO-UONOGXRCSA-N 1 1 372.429 2.026 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000522004134 562188881 /nfs/dbraw/zinc/18/88/81/562188881.db2.gz NQXKNUIXDSAXPW-SFHVURJKSA-N 1 1 357.414 2.206 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(c2ccccc2)CC1 ZINC000377484030 558348609 /nfs/dbraw/zinc/34/86/09/558348609.db2.gz HIBKJZNGGKOAJU-UHFFFAOYSA-N 1 1 356.426 2.357 20 5 FEBDMO COC(=O)/C=C/c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512636 558354824 /nfs/dbraw/zinc/35/48/24/558354824.db2.gz OKZCEMHJMZAPDH-SJKUQHEZSA-N 1 1 361.398 2.056 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862798 558437196 /nfs/dbraw/zinc/43/71/96/558437196.db2.gz ZEDZJFPIJLSEGV-MNOVXSKESA-N 1 1 354.794 2.233 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000411621447 558930723 /nfs/dbraw/zinc/93/07/23/558930723.db2.gz QLZMQMPALAYTFV-ZENOOKHLSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000411652569 558936275 /nfs/dbraw/zinc/93/62/75/558936275.db2.gz UUTUXXCNLSYXER-ZIAGYGMSSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411799784 558965699 /nfs/dbraw/zinc/96/56/99/558965699.db2.gz XBHYEXMJYWKDLG-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[C@H]1CN(CC)CC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411799784 558965700 /nfs/dbraw/zinc/96/57/00/558965700.db2.gz XBHYEXMJYWKDLG-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[C@H]1CN(CC)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411799784 558965701 /nfs/dbraw/zinc/96/57/01/558965701.db2.gz XBHYEXMJYWKDLG-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411840937 558974017 /nfs/dbraw/zinc/97/40/17/558974017.db2.gz FPWIEEPYRQCGAU-KRWDZBQOSA-N 1 1 361.398 2.394 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411840937 558974019 /nfs/dbraw/zinc/97/40/19/558974019.db2.gz FPWIEEPYRQCGAU-KRWDZBQOSA-N 1 1 361.398 2.394 20 5 FEBDMO CN(C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000411951762 558994074 /nfs/dbraw/zinc/99/40/74/558994074.db2.gz SCTBBFBADQOJFY-ROUUACIJSA-N 1 1 355.394 2.366 20 5 FEBDMO CN(C(=O)C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000411951762 558994076 /nfs/dbraw/zinc/99/40/76/558994076.db2.gz SCTBBFBADQOJFY-ROUUACIJSA-N 1 1 355.394 2.366 20 5 FEBDMO NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000411975249 558998140 /nfs/dbraw/zinc/99/81/40/558998140.db2.gz ZZJUWYORIYTGPV-LJQANCHMSA-N 1 1 366.377 2.365 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412053942 559007404 /nfs/dbraw/zinc/00/74/04/559007404.db2.gz GYJWPTZSOSCLBN-ZBFHGGJFSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412053942 559007405 /nfs/dbraw/zinc/00/74/05/559007405.db2.gz GYJWPTZSOSCLBN-ZBFHGGJFSA-N 1 1 374.441 2.399 20 5 FEBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412063606 559008895 /nfs/dbraw/zinc/00/88/95/559008895.db2.gz BTKNRTCSQGQZRI-LBPRGKRZSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000412063606 559008896 /nfs/dbraw/zinc/00/88/96/559008896.db2.gz BTKNRTCSQGQZRI-LBPRGKRZSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCC(=O)N1 ZINC000412083282 559011045 /nfs/dbraw/zinc/01/10/45/559011045.db2.gz PSSHMTVDTNRELC-CYBMUJFWSA-N 1 1 359.386 2.134 20 5 FEBDMO CC(C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@H]1CCC(=O)N1 ZINC000412083282 559011047 /nfs/dbraw/zinc/01/10/47/559011047.db2.gz PSSHMTVDTNRELC-CYBMUJFWSA-N 1 1 359.386 2.134 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1F ZINC000412108063 559014456 /nfs/dbraw/zinc/01/44/56/559014456.db2.gz HCMXVIWNVLDQMU-LBPRGKRZSA-N 1 1 353.394 2.085 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1F ZINC000412121381 559015596 /nfs/dbraw/zinc/01/55/96/559015596.db2.gz FIOKNKOXXLNAJU-VXGBXAGGSA-N 1 1 353.394 2.226 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCCNc2cccc(C)[nH+]2)c1F ZINC000412128593 559015969 /nfs/dbraw/zinc/01/59/69/559015969.db2.gz SVSYRJWKYPQCSR-UHFFFAOYSA-N 1 1 362.361 2.217 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412147656 559017039 /nfs/dbraw/zinc/01/70/39/559017039.db2.gz HCFXFDZTLJOLCS-GFCCVEGCSA-N 1 1 353.394 2.085 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000413326759 559099027 /nfs/dbraw/zinc/09/90/27/559099027.db2.gz HLRVYDSMPAPIJN-UHFFFAOYSA-N 1 1 369.429 2.097 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+]2CCCC2(C)C)c1F ZINC000413868847 559136362 /nfs/dbraw/zinc/13/63/62/559136362.db2.gz WTLJMXKXXHAPGO-UHFFFAOYSA-N 1 1 353.394 2.276 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000416482136 559316446 /nfs/dbraw/zinc/31/64/46/559316446.db2.gz XAHHZYSJDIUORM-UHFFFAOYSA-N 1 1 370.456 2.495 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416497657 559317844 /nfs/dbraw/zinc/31/78/44/559317844.db2.gz UFFSXZQBKMAQNZ-AWEZNQCLSA-N 1 1 355.460 2.315 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1 ZINC000420482728 559489827 /nfs/dbraw/zinc/48/98/27/559489827.db2.gz UXPRDONYBKQSHA-MRXNPFEDSA-N 1 1 361.423 2.238 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000420644968 559494916 /nfs/dbraw/zinc/49/49/16/559494916.db2.gz ZGQQKYAVQVXKHH-AWEZNQCLSA-N 1 1 357.414 2.090 20 5 FEBDMO CCOc1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OC ZINC000421699502 559549620 /nfs/dbraw/zinc/54/96/20/559549620.db2.gz BJXXUSBRGKUPEA-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000421715989 559550591 /nfs/dbraw/zinc/55/05/91/559550591.db2.gz ZKRZZIRABYJDPR-CYBMUJFWSA-N 1 1 370.247 2.452 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000422034018 559561878 /nfs/dbraw/zinc/56/18/78/559561878.db2.gz ISRZYPKUSDSPAQ-ZDUSSCGKSA-N 1 1 358.398 2.074 20 5 FEBDMO CCc1ccc(C(=O)NC2CCC([NH+]3CCNCC3)CC2)cc1[N+](=O)[O-] ZINC000423956501 559647943 /nfs/dbraw/zinc/64/79/43/559647943.db2.gz UOLUJBBWFQZTAI-UHFFFAOYSA-N 1 1 360.458 2.103 20 5 FEBDMO COc1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc([N+](=O)[O-])c1C ZINC000423966428 559648382 /nfs/dbraw/zinc/64/83/82/559648382.db2.gz WOPGQICGIFNQJT-MRXNPFEDSA-N 1 1 356.382 2.094 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c([N+](=O)[O-])c1 ZINC000425555262 559709580 /nfs/dbraw/zinc/70/95/80/559709580.db2.gz QEGKSDKLMWZAJC-QGZVFWFLSA-N 1 1 359.426 2.475 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000428024682 559767691 /nfs/dbraw/zinc/76/76/91/559767691.db2.gz PAUCKQVAVAEALP-CYBMUJFWSA-N 1 1 360.414 2.368 20 5 FEBDMO COCCS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000428544997 559777793 /nfs/dbraw/zinc/77/77/93/559777793.db2.gz ZDZMUCYUQMMXNQ-UHFFFAOYSA-N 1 1 364.423 2.305 20 5 FEBDMO COc1cc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)ccc1[N+](=O)[O-] ZINC000428550504 559777969 /nfs/dbraw/zinc/77/79/69/559777969.db2.gz VJMBLVHCHKSTQU-MRXNPFEDSA-N 1 1 371.393 2.422 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1(CO)CCC1 ZINC000429225665 559793150 /nfs/dbraw/zinc/79/31/50/559793150.db2.gz GUZPKVRQDNNVAC-UHFFFAOYSA-N 1 1 372.219 2.143 20 5 FEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1(CO)CCC1 ZINC000429225665 559793149 /nfs/dbraw/zinc/79/31/49/559793149.db2.gz GUZPKVRQDNNVAC-UHFFFAOYSA-N 1 1 372.219 2.143 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000430193897 559815068 /nfs/dbraw/zinc/81/50/68/559815068.db2.gz HEODOFXQVRVVHX-UHFFFAOYSA-N 1 1 351.447 2.394 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1CN(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000430193897 559815069 /nfs/dbraw/zinc/81/50/69/559815069.db2.gz HEODOFXQVRVVHX-UHFFFAOYSA-N 1 1 351.447 2.394 20 5 FEBDMO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCSC1 ZINC000433193533 559873227 /nfs/dbraw/zinc/87/32/27/559873227.db2.gz KNNOTUONQUMUCS-INIZCTEOSA-N 1 1 367.471 2.402 20 5 FEBDMO COCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCSC1 ZINC000433193533 559873228 /nfs/dbraw/zinc/87/32/28/559873228.db2.gz KNNOTUONQUMUCS-INIZCTEOSA-N 1 1 367.471 2.402 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)[C@H]1CCCSC1 ZINC000433197512 559873265 /nfs/dbraw/zinc/87/32/65/559873265.db2.gz SIXRRIDZRYIQTK-AWEZNQCLSA-N 1 1 353.444 2.032 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000433197512 559873266 /nfs/dbraw/zinc/87/32/66/559873266.db2.gz SIXRRIDZRYIQTK-AWEZNQCLSA-N 1 1 353.444 2.032 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)n1C ZINC000437994162 559972690 /nfs/dbraw/zinc/97/26/90/559972690.db2.gz GUIXCFONZSETBT-UHFFFAOYSA-N 1 1 372.429 2.269 20 5 FEBDMO CCOc1ccccc1C[N@@H+]1CCN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000440678399 560016230 /nfs/dbraw/zinc/01/62/30/560016230.db2.gz ONAQYUJAAUFYGF-AWEZNQCLSA-N 1 1 359.430 2.438 20 5 FEBDMO CCOc1ccccc1C[N@H+]1CCN(c2c([N+](=O)[O-])ncn2C)[C@@H](C)C1 ZINC000440678399 560016231 /nfs/dbraw/zinc/01/62/31/560016231.db2.gz ONAQYUJAAUFYGF-AWEZNQCLSA-N 1 1 359.430 2.438 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000443376846 560082455 /nfs/dbraw/zinc/08/24/55/560082455.db2.gz WXSWIIPMGYNPPR-OCCSQVGLSA-N 1 1 362.430 2.173 20 5 FEBDMO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000443626410 560088842 /nfs/dbraw/zinc/08/88/42/560088842.db2.gz PZIZAUGKKPMHPP-GXTWGEPZSA-N 1 1 350.419 2.085 20 5 FEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191887 560130555 /nfs/dbraw/zinc/13/05/55/560130555.db2.gz YCEOWBWCAAKWLQ-IUODEOHRSA-N 1 1 356.382 2.261 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000447940503 560174050 /nfs/dbraw/zinc/17/40/50/560174050.db2.gz BTCFULOSPYDXCZ-INIZCTEOSA-N 1 1 369.487 2.177 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000448324081 560184444 /nfs/dbraw/zinc/18/44/44/560184444.db2.gz BHXFUFMXYWCVMZ-OAHLLOKOSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)C[N@H+]1C1CC1 ZINC000450137430 560251888 /nfs/dbraw/zinc/25/18/88/560251888.db2.gz RYHQRFBMQIURQV-YPMHNXCESA-N 1 1 355.398 2.340 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152966 560252368 /nfs/dbraw/zinc/25/23/68/560252368.db2.gz RQZRSXDDZZLIAF-APPDUMDISA-N 1 1 355.398 2.197 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450234067 560255078 /nfs/dbraw/zinc/25/50/78/560255078.db2.gz PPNHAQPLXRFWRO-JKSUJKDBSA-N 1 1 369.425 2.337 20 5 FEBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2CCCO)nc1-c1ccc(F)cc1 ZINC000450601994 560267705 /nfs/dbraw/zinc/26/77/05/560267705.db2.gz ZGCYCTHTEHROBV-MRXNPFEDSA-N 1 1 374.416 3.055 20 5 FEBDMO COC(=O)[C@@H]([NH2+]CCCNc1nccc2c1cccc2[N+](=O)[O-])C(C)C ZINC000450603692 560267747 /nfs/dbraw/zinc/26/77/47/560267747.db2.gz UYQKITXDSURZPY-INIZCTEOSA-N 1 1 360.414 2.732 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000451306167 560299189 /nfs/dbraw/zinc/29/91/89/560299189.db2.gz RNUPDQJICSCBKN-KYOSRNDESA-N 1 1 354.378 2.104 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000451409268 560305231 /nfs/dbraw/zinc/30/52/31/560305231.db2.gz AESAEOUJQDVBCI-LZLYRXPVSA-N 1 1 359.426 2.109 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@](O)(C(F)F)C3)o2)c1 ZINC000451433783 560306812 /nfs/dbraw/zinc/30/68/12/560306812.db2.gz PFXDWTXONNJHJJ-MRXNPFEDSA-N 1 1 353.325 2.494 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451579766 560315883 /nfs/dbraw/zinc/31/58/83/560315883.db2.gz YVRPBNREKBQAER-XUJVJEKNSA-N 1 1 351.403 2.287 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451579766 560315884 /nfs/dbraw/zinc/31/58/84/560315884.db2.gz YVRPBNREKBQAER-XUJVJEKNSA-N 1 1 351.403 2.287 20 5 FEBDMO CCCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1OC ZINC000451648343 560319390 /nfs/dbraw/zinc/31/93/90/560319390.db2.gz FAQRDZFAIZMQNR-GVDBMIGSSA-N 1 1 354.451 2.212 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451900731 560335729 /nfs/dbraw/zinc/33/57/29/560335729.db2.gz LYXYDIONWJMENK-SFHVURJKSA-N 1 1 361.398 2.395 20 5 FEBDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000452018033 560345701 /nfs/dbraw/zinc/34/57/01/560345701.db2.gz NZDCFGMNPVQRTR-ZOBUZTSGSA-N 1 1 360.414 2.039 20 5 FEBDMO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000452794466 560374239 /nfs/dbraw/zinc/37/42/39/560374239.db2.gz IJVZOLNANCTAGN-HNNXBMFYSA-N 1 1 363.458 2.469 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452798975 560374485 /nfs/dbraw/zinc/37/44/85/560374485.db2.gz POEFJTQSHMQGRA-ZDUSSCGKSA-N 1 1 355.822 2.133 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C[C@@H]21 ZINC000452970312 560379516 /nfs/dbraw/zinc/37/95/16/560379516.db2.gz FGLNKHSCYHJSOZ-RISCZKNCSA-N 1 1 368.231 2.062 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454098896 560429079 /nfs/dbraw/zinc/42/90/79/560429079.db2.gz ISVPBLVJRNGLIL-UHFFFAOYSA-N 1 1 362.430 2.086 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000455341041 560478772 /nfs/dbraw/zinc/47/87/72/560478772.db2.gz WPKOUWBJNPYEOA-UHFFFAOYSA-N 1 1 367.425 2.272 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000457128036 560551362 /nfs/dbraw/zinc/55/13/62/560551362.db2.gz RSTSEQXEZBSZSD-MRXNPFEDSA-N 1 1 357.414 2.335 20 5 FEBDMO Cc1c(C(=O)NCCCC[N@H+](C)C2CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457208981 560556052 /nfs/dbraw/zinc/55/60/52/560556052.db2.gz UPYYOGYOAVHZHR-UHFFFAOYSA-N 1 1 372.429 2.088 20 5 FEBDMO Cc1ccc([C@@H](C)NC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000458499555 560627628 /nfs/dbraw/zinc/62/76/28/560627628.db2.gz JXEKPIFSVRUNFP-QLFBSQMISA-N 1 1 364.446 2.061 20 5 FEBDMO CON1CCC([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000459577344 560695299 /nfs/dbraw/zinc/69/52/99/560695299.db2.gz IOQWQXIPTWODBW-UHFFFAOYSA-N 1 1 356.810 2.144 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)n1 ZINC000459659512 560700493 /nfs/dbraw/zinc/70/04/93/560700493.db2.gz KJLUVNXXMDYWBK-LBPRGKRZSA-N 1 1 362.352 2.472 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000459707808 560703315 /nfs/dbraw/zinc/70/33/15/560703315.db2.gz OGDJZXDTQOWKHF-SUMWQHHRSA-N 1 1 362.357 2.311 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)[C@H](CO)C2)ccc1Oc1ccc(F)cc1 ZINC000459707808 560703316 /nfs/dbraw/zinc/70/33/16/560703316.db2.gz OGDJZXDTQOWKHF-SUMWQHHRSA-N 1 1 362.357 2.311 20 5 FEBDMO CC(C)[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000461269399 560765551 /nfs/dbraw/zinc/76/55/51/560765551.db2.gz WZABZWTYXNJMGU-RKVPGOIHSA-N 1 1 363.458 2.387 20 5 FEBDMO O=C(c1cc(C[NH+]2CCCC2)on1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000462458138 560810798 /nfs/dbraw/zinc/81/07/98/560810798.db2.gz IQIOSCOFHKZZRP-UHFFFAOYSA-N 1 1 372.381 2.213 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470917585 560993967 /nfs/dbraw/zinc/99/39/67/560993967.db2.gz KXHISFYSOVRXDO-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000472135626 561019062 /nfs/dbraw/zinc/01/90/62/561019062.db2.gz BEMQGOLABNVPMJ-UHFFFAOYSA-N 1 1 367.425 2.272 20 5 FEBDMO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000473362600 561048455 /nfs/dbraw/zinc/04/84/55/561048455.db2.gz QKZYIRLIAICSFG-DOTOQJQBSA-N 1 1 372.425 2.332 20 5 FEBDMO CC[C@H](NC(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000473362600 561048456 /nfs/dbraw/zinc/04/84/56/561048456.db2.gz QKZYIRLIAICSFG-DOTOQJQBSA-N 1 1 372.425 2.332 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000475700688 561102665 /nfs/dbraw/zinc/10/26/65/561102665.db2.gz KGZPSSNZPRQWBR-HNNXBMFYSA-N 1 1 366.414 2.394 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000475700688 561102666 /nfs/dbraw/zinc/10/26/66/561102666.db2.gz KGZPSSNZPRQWBR-HNNXBMFYSA-N 1 1 366.414 2.394 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000476625213 561124735 /nfs/dbraw/zinc/12/47/35/561124735.db2.gz AYPRMKQOZYCWDV-AWEZNQCLSA-N 1 1 363.462 2.445 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476649402 561125224 /nfs/dbraw/zinc/12/52/24/561125224.db2.gz RYAIHMOGRUNKTJ-UONOGXRCSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])nn1C ZINC000476649402 561125225 /nfs/dbraw/zinc/12/52/25/561125225.db2.gz RYAIHMOGRUNKTJ-UONOGXRCSA-N 1 1 357.414 2.063 20 5 FEBDMO COC(=O)c1cc(C(=O)N2CCC(n3c[nH+]cc3C)CC2)cc([N+](=O)[O-])c1 ZINC000476826208 561129263 /nfs/dbraw/zinc/12/92/63/561129263.db2.gz SMKPRGJKUYNWPO-UHFFFAOYSA-N 1 1 372.381 2.364 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000533469334 562509902 /nfs/dbraw/zinc/50/99/02/562509902.db2.gz UOPYCOFWARGUPN-YOEHRIQHSA-N 1 1 364.446 2.345 20 5 FEBDMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534959866 562546146 /nfs/dbraw/zinc/54/61/46/562546146.db2.gz NTXCVAULBUUUNF-GOEBONIOSA-N 1 1 372.425 2.449 20 5 FEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000535313874 562555696 /nfs/dbraw/zinc/55/56/96/562555696.db2.gz PCHKQQLJBDKHPT-CYBMUJFWSA-N 1 1 354.370 2.368 20 5 FEBDMO COc1ccc(CC(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000536033564 562571837 /nfs/dbraw/zinc/57/18/37/562571837.db2.gz YJDMMLYFJQLHBO-INIZCTEOSA-N 1 1 355.394 2.449 20 5 FEBDMO COc1ccc(CC(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000536033564 562571838 /nfs/dbraw/zinc/57/18/38/562571838.db2.gz YJDMMLYFJQLHBO-INIZCTEOSA-N 1 1 355.394 2.449 20 5 FEBDMO CC[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cn(C)nn1 ZINC000541989753 562625243 /nfs/dbraw/zinc/62/52/43/562625243.db2.gz UPXWHPUVUKCETE-UHFFFAOYSA-N 1 1 356.386 2.443 20 5 FEBDMO CC[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)Cc1cn(C)nn1 ZINC000541989753 562625244 /nfs/dbraw/zinc/62/52/44/562625244.db2.gz UPXWHPUVUKCETE-UHFFFAOYSA-N 1 1 356.386 2.443 20 5 FEBDMO CC(C)C[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751089 568175269 /nfs/dbraw/zinc/17/52/69/568175269.db2.gz XRVQJSBCBPCPCP-IAGOWNOFSA-N 1 1 365.474 2.292 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751089 568175270 /nfs/dbraw/zinc/17/52/70/568175270.db2.gz XRVQJSBCBPCPCP-IAGOWNOFSA-N 1 1 365.474 2.292 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000568903665 568250897 /nfs/dbraw/zinc/25/08/97/568250897.db2.gz PONVRFNRBCIPDG-HNNXBMFYSA-N 1 1 365.430 2.080 20 5 FEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H](C)C1 ZINC000569254994 568320946 /nfs/dbraw/zinc/32/09/46/568320946.db2.gz GOBPUKDLEWDKRW-SCRDCRAPSA-N 1 1 361.398 2.126 20 5 FEBDMO COc1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1[N+](=O)[O-] ZINC000737095667 598386681 /nfs/dbraw/zinc/38/66/81/598386681.db2.gz MRIJXFFZFYLWLH-UHFFFAOYSA-N 1 1 358.333 2.212 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccsc3)CC2)c(-c2nn[nH]n2)c1 ZINC000823639558 599386221 /nfs/dbraw/zinc/38/62/21/599386221.db2.gz DPOCFQUZCSWDJY-UHFFFAOYSA-N 1 1 371.426 2.159 20 5 FEBDMO CC[N@@H+](CCNc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000811799033 674628631 /nfs/dbraw/zinc/62/86/31/674628631.db2.gz PTFBXVQSXOOYJK-UHFFFAOYSA-N 1 1 354.363 2.432 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)C1 ZINC000562044027 674717644 /nfs/dbraw/zinc/71/76/44/674717644.db2.gz XGTCXKJVAYQXMR-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO O=C(Cn1cc(Cl)cn1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170103 674725268 /nfs/dbraw/zinc/72/52/68/674725268.db2.gz GRRRKYRXKVDAMF-HNNXBMFYSA-N 1 1 364.789 2.262 20 5 FEBDMO O=C(Cn1cc(Cl)cn1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813170103 674725270 /nfs/dbraw/zinc/72/52/70/674725270.db2.gz GRRRKYRXKVDAMF-HNNXBMFYSA-N 1 1 364.789 2.262 20 5 FEBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815011998 674895760 /nfs/dbraw/zinc/89/57/60/674895760.db2.gz DEQQHGWWCJQXRD-UHFFFAOYSA-N 1 1 367.830 2.398 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047314 674907406 /nfs/dbraw/zinc/90/74/06/674907406.db2.gz NISBNSMWMMSAKZ-VIFPVBQESA-N 1 1 367.830 2.394 20 5 FEBDMO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565416965 675119915 /nfs/dbraw/zinc/11/99/15/675119915.db2.gz KXKHDQWNSFVHEC-SJKOYZFVSA-N 1 1 362.407 2.480 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000573566130 671137891 /nfs/dbraw/zinc/13/78/91/671137891.db2.gz DHKXKMRTRGRKAW-OAHLLOKOSA-N 1 1 350.419 2.098 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)c1 ZINC000577947583 671630252 /nfs/dbraw/zinc/63/02/52/671630252.db2.gz NLJKCDRCZGEQJT-INIZCTEOSA-N 1 1 358.423 2.498 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000578269595 671652908 /nfs/dbraw/zinc/65/29/08/671652908.db2.gz SKXNJPCYIRXSMO-ZDUSSCGKSA-N 1 1 372.491 2.377 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000579853131 671766052 /nfs/dbraw/zinc/76/60/52/671766052.db2.gz DBSDWIGGUYYZMV-CHWSQXEVSA-N 1 1 352.410 2.099 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000119747279 671907460 /nfs/dbraw/zinc/90/74/60/671907460.db2.gz QZAVEPHDDGPAPS-GFCCVEGCSA-N 1 1 369.468 2.455 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610134956 675955926 /nfs/dbraw/zinc/95/59/26/675955926.db2.gz HLLDSCZPVUIBIM-KGLIPLIRSA-N 1 1 355.460 2.397 20 5 FEBDMO CCCC[NH+]1CCC(NC[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000582058024 671963140 /nfs/dbraw/zinc/96/31/40/671963140.db2.gz MRSLKUNDNMALEY-MRXNPFEDSA-N 1 1 351.447 2.189 20 5 FEBDMO CCCCN1CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000582058024 671963144 /nfs/dbraw/zinc/96/31/44/671963144.db2.gz MRSLKUNDNMALEY-MRXNPFEDSA-N 1 1 351.447 2.189 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000162178683 672302683 /nfs/dbraw/zinc/30/26/83/672302683.db2.gz OFHGJDIECMMJPN-LLVKDONJSA-N 1 1 363.233 2.024 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)s1 ZINC000587146628 672440972 /nfs/dbraw/zinc/44/09/72/672440972.db2.gz CWUCYFUMLXRDQA-LBPRGKRZSA-N 1 1 363.443 2.291 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000611087583 676016192 /nfs/dbraw/zinc/01/61/92/676016192.db2.gz VWXMAUGGAVHMSI-LLVKDONJSA-N 1 1 353.444 2.492 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000611087583 676016195 /nfs/dbraw/zinc/01/61/95/676016195.db2.gz VWXMAUGGAVHMSI-LLVKDONJSA-N 1 1 353.444 2.492 20 5 FEBDMO COC(=O)CC1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589496762 672529467 /nfs/dbraw/zinc/52/94/67/672529467.db2.gz NRXCYNQMMJTGJF-UHFFFAOYSA-N 1 1 350.371 2.157 20 5 FEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1(CO)CC1 ZINC000186787819 672555967 /nfs/dbraw/zinc/55/59/67/672555967.db2.gz IDKSVEPXYUVSQW-UHFFFAOYSA-N 1 1 372.219 2.000 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1(CO)CC1 ZINC000186787819 672555971 /nfs/dbraw/zinc/55/59/71/672555971.db2.gz IDKSVEPXYUVSQW-UHFFFAOYSA-N 1 1 372.219 2.000 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000590047166 672556385 /nfs/dbraw/zinc/55/63/85/672556385.db2.gz WMXXTIWTSWJSFI-DOMZBBRYSA-N 1 1 358.423 2.494 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590445075 672583399 /nfs/dbraw/zinc/58/33/99/672583399.db2.gz QEBYRVMGRWEFPW-DOMZBBRYSA-N 1 1 365.455 2.109 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)OCCO2 ZINC000590662204 672599467 /nfs/dbraw/zinc/59/94/67/672599467.db2.gz RLKDYEWEEVBEIJ-LKFCYVNXSA-N 1 1 362.304 2.111 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1)OCCO2 ZINC000590662204 672599470 /nfs/dbraw/zinc/59/94/70/672599470.db2.gz RLKDYEWEEVBEIJ-LKFCYVNXSA-N 1 1 362.304 2.111 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000590749416 672609771 /nfs/dbraw/zinc/60/97/71/672609771.db2.gz FJPQDYVNKMVTPE-YXJHDRRASA-N 1 1 350.415 2.226 20 5 FEBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000592185211 672768597 /nfs/dbraw/zinc/76/85/97/672768597.db2.gz NJZDYNUTPCOOHE-CQSZACIVSA-N 1 1 361.320 2.104 20 5 FEBDMO CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000592185211 672768598 /nfs/dbraw/zinc/76/85/98/672768598.db2.gz NJZDYNUTPCOOHE-CQSZACIVSA-N 1 1 361.320 2.104 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061667 672870030 /nfs/dbraw/zinc/87/00/30/672870030.db2.gz KYBDYGLEZPBEPE-QWHCGFSZSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)CO1 ZINC000593062662 672870282 /nfs/dbraw/zinc/87/02/82/672870282.db2.gz QOVGCOZSLKHHBA-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[N@@H+](CCCNC(=O)CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000593249742 672898735 /nfs/dbraw/zinc/89/87/35/672898735.db2.gz KJVKWPQPSBNVFC-UHFFFAOYSA-N 1 1 351.451 2.342 20 5 FEBDMO Cc1ncc([C@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000612576122 676088469 /nfs/dbraw/zinc/08/84/69/676088469.db2.gz LMBZTIOPQKMZLY-JTQLQIEISA-N 1 1 355.441 2.484 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000594475707 673081840 /nfs/dbraw/zinc/08/18/40/673081840.db2.gz RERXBMIJEMPPDE-UHFFFAOYSA-N 1 1 355.460 2.398 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1C ZINC000594792379 673144297 /nfs/dbraw/zinc/14/42/97/673144297.db2.gz QEAYOXAPEJFZDP-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1C ZINC000594792379 673144298 /nfs/dbraw/zinc/14/42/98/673144298.db2.gz QEAYOXAPEJFZDP-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000594792401 673144509 /nfs/dbraw/zinc/14/45/09/673144509.db2.gz QJNYZVOMADNROF-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000594792401 673144513 /nfs/dbraw/zinc/14/45/13/673144513.db2.gz QJNYZVOMADNROF-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000594792389 673144628 /nfs/dbraw/zinc/14/46/28/673144628.db2.gz QFKBLOJRWIQPHY-HNNXBMFYSA-N 1 1 369.487 2.177 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594799275 673146611 /nfs/dbraw/zinc/14/66/11/673146611.db2.gz LMKURQAIJGLSEH-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595075196 673190834 /nfs/dbraw/zinc/19/08/34/673190834.db2.gz XHKQCQWTAKAUJO-LLVKDONJSA-N 1 1 368.821 2.176 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462573056 673264195 /nfs/dbraw/zinc/26/41/95/673264195.db2.gz HKRZTJCUFAYADL-HNNXBMFYSA-N 1 1 367.471 2.446 20 5 FEBDMO O=C(C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595634248 673276630 /nfs/dbraw/zinc/27/66/30/673276630.db2.gz GWBMLOOVVNUKGZ-NTZNESFSSA-N 1 1 353.806 2.280 20 5 FEBDMO O=C(C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595634248 673276634 /nfs/dbraw/zinc/27/66/34/673276634.db2.gz GWBMLOOVVNUKGZ-NTZNESFSSA-N 1 1 353.806 2.280 20 5 FEBDMO Cn1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C(F)F)n1 ZINC000462958818 673290883 /nfs/dbraw/zinc/29/08/83/673290883.db2.gz WWFWEBXVIPDVGF-NSHDSACASA-N 1 1 352.345 2.347 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C(F)F)n1 ZINC000462958818 673290886 /nfs/dbraw/zinc/29/08/86/673290886.db2.gz WWFWEBXVIPDVGF-NSHDSACASA-N 1 1 352.345 2.347 20 5 FEBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732226710 673359599 /nfs/dbraw/zinc/35/95/99/673359599.db2.gz OGXUFJLTVDGIKS-LBPRGKRZSA-N 1 1 359.835 2.105 20 5 FEBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732226710 673359602 /nfs/dbraw/zinc/35/96/02/673359602.db2.gz OGXUFJLTVDGIKS-LBPRGKRZSA-N 1 1 359.835 2.105 20 5 FEBDMO COc1cc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596112143 673359880 /nfs/dbraw/zinc/35/98/80/673359880.db2.gz HXJTWGKNMKIEOO-DOMZBBRYSA-N 1 1 355.822 2.292 20 5 FEBDMO NS(=O)(=O)c1ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000596479621 673388793 /nfs/dbraw/zinc/38/87/93/673388793.db2.gz OBVKNPAUTWBKQC-CYBMUJFWSA-N 1 1 368.459 2.061 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597577936 673489356 /nfs/dbraw/zinc/48/93/56/673489356.db2.gz IBFNUESISXPFBH-KGLIPLIRSA-N 1 1 351.378 2.008 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000539809806 673507485 /nfs/dbraw/zinc/50/74/85/673507485.db2.gz HIPWASUGCINTSS-LBPRGKRZSA-N 1 1 354.838 2.432 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000597926052 673518558 /nfs/dbraw/zinc/51/85/58/673518558.db2.gz TVFFVACOWAURNM-LLVKDONJSA-N 1 1 351.403 2.215 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000598889106 673618901 /nfs/dbraw/zinc/61/89/01/673618901.db2.gz UJMBMLLJAHYOAK-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000543140103 673627098 /nfs/dbraw/zinc/62/70/98/673627098.db2.gz JUAJEHQAODOABY-LSDHHAIUSA-N 1 1 368.455 2.117 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000543140103 673627101 /nfs/dbraw/zinc/62/71/01/673627101.db2.gz JUAJEHQAODOABY-LSDHHAIUSA-N 1 1 368.455 2.117 20 5 FEBDMO CCOC(=O)c1ccc(N2CC([NH2+]Cc3csc([N+](=O)[O-])c3)C2)nc1 ZINC000543412250 673645848 /nfs/dbraw/zinc/64/58/48/673645848.db2.gz HVGXGKBPLYICHJ-UHFFFAOYSA-N 1 1 362.411 2.206 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000599674902 673705067 /nfs/dbraw/zinc/70/50/67/673705067.db2.gz MWIBLGQXWSNGMO-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000544599647 673720122 /nfs/dbraw/zinc/72/01/22/673720122.db2.gz XZLFLPIGFVCEJB-UHFFFAOYSA-N 1 1 356.350 2.437 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])ccc1OC(F)F)N1CC[NH+](CCCF)CC1 ZINC000600075210 673738793 /nfs/dbraw/zinc/73/87/93/673738793.db2.gz AOCLGLBDVHHXPC-UHFFFAOYSA-N 1 1 361.320 2.314 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000600981253 673816296 /nfs/dbraw/zinc/81/62/96/673816296.db2.gz CZLGQSRXAUECSG-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000600981253 673816298 /nfs/dbraw/zinc/81/62/98/673816298.db2.gz CZLGQSRXAUECSG-TXEJJXNPSA-N 1 1 353.394 2.352 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000546776435 673817691 /nfs/dbraw/zinc/81/76/91/673817691.db2.gz FNKUMNSTYORHAG-UKRRQHHQSA-N 1 1 355.460 2.229 20 5 FEBDMO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000601019427 673819751 /nfs/dbraw/zinc/81/97/51/673819751.db2.gz JMCFPNBGTHJTTG-CYBMUJFWSA-N 1 1 351.378 2.061 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000601422433 673860029 /nfs/dbraw/zinc/86/00/29/673860029.db2.gz VPXUKQYCGCKJLJ-INIZCTEOSA-N 1 1 371.434 2.149 20 5 FEBDMO CS(=O)(=O)C1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602637075 673908991 /nfs/dbraw/zinc/90/89/91/673908991.db2.gz BNZBKZXKQLSLDO-UHFFFAOYSA-N 1 1 352.334 2.280 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000602853441 673912297 /nfs/dbraw/zinc/91/22/97/673912297.db2.gz YKXJRZDHJCFVEM-TZMCWYRMSA-N 1 1 352.435 2.399 20 5 FEBDMO CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965538 673914813 /nfs/dbraw/zinc/91/48/13/673914813.db2.gz IBKVIMOZJFZZGQ-KDOFPFPSSA-N 1 1 351.447 2.285 20 5 FEBDMO CCOc1cc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000567005617 675259400 /nfs/dbraw/zinc/25/94/00/675259400.db2.gz NNWGGBPLTBEKOJ-LBPRGKRZSA-N 1 1 353.419 2.461 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000823133839 675531528 /nfs/dbraw/zinc/53/15/28/675531528.db2.gz VYDWLJMVXNOACF-SNVBAGLBSA-N 1 1 354.794 2.031 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)c1cc(F)c([N+](=O)[O-])cc1NC(C)=O ZINC000823277054 675541499 /nfs/dbraw/zinc/54/14/99/675541499.db2.gz QHKLDLSJPAEBFB-UHFFFAOYSA-N 1 1 354.382 2.154 20 5 FEBDMO O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1)C(F)(F)F ZINC000824831187 675624229 /nfs/dbraw/zinc/62/42/29/675624229.db2.gz VMJWORRRIFXJCI-WCQYABFASA-N 1 1 357.332 2.437 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000825492056 675655762 /nfs/dbraw/zinc/65/57/62/675655762.db2.gz IGSHAFLGGXIHRC-UHFFFAOYSA-N 1 1 365.455 2.254 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000825644196 675662178 /nfs/dbraw/zinc/66/21/78/675662178.db2.gz XRDAGTDIALJUQE-VXGBXAGGSA-N 1 1 353.806 2.150 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1[N+](=O)[O-] ZINC000825756321 675667577 /nfs/dbraw/zinc/66/75/77/675667577.db2.gz PEUYATXIPHXELJ-GOEBONIOSA-N 1 1 367.833 2.228 20 5 FEBDMO C[N@H+](CCO)Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1Cl ZINC000619867628 676397860 /nfs/dbraw/zinc/39/78/60/676397860.db2.gz ZWLLVIOWXQKWTC-UHFFFAOYSA-N 1 1 352.778 2.253 20 5 FEBDMO C[N@@H+](CCO)Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1Cl ZINC000619867628 676397861 /nfs/dbraw/zinc/39/78/61/676397861.db2.gz ZWLLVIOWXQKWTC-UHFFFAOYSA-N 1 1 352.778 2.253 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCNc1ccccn1 ZINC000760595033 680693929 /nfs/dbraw/zinc/69/39/29/680693929.db2.gz SGQOMMBUUKSCAB-UHFFFAOYSA-N 1 1 356.791 2.034 20 5 FEBDMO CC1(CCCC[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)OCCO1 ZINC000838895232 680726235 /nfs/dbraw/zinc/72/62/35/680726235.db2.gz OWMNRTRGDRPXRD-AWEZNQCLSA-N 1 1 350.419 2.409 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000840180981 680805109 /nfs/dbraw/zinc/80/51/09/680805109.db2.gz YHRTXBNVXTXFJF-SNVBAGLBSA-N 1 1 350.400 2.240 20 5 FEBDMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000840180981 680805110 /nfs/dbraw/zinc/80/51/10/680805110.db2.gz YHRTXBNVXTXFJF-SNVBAGLBSA-N 1 1 350.400 2.240 20 5 FEBDMO C[N@H+]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC000874094225 685294225 /nfs/dbraw/zinc/29/42/25/685294225.db2.gz BVFWTZLFIFSRLA-UHFFFAOYSA-N 1 1 368.821 2.129 20 5 FEBDMO CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@H]1CC[N@@H+](C)C1 ZINC000832742460 680171584 /nfs/dbraw/zinc/17/15/84/680171584.db2.gz IHTPGWBTYHHQDX-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CCC[N@@H+](Cc1ccccc1Cl)C2 ZINC000981764906 680250643 /nfs/dbraw/zinc/25/06/43/680250643.db2.gz JQAFGMPGNYGNOD-GDBMZVCRSA-N 1 1 363.845 2.430 20 5 FEBDMO CC(C)(CCC(=O)OCCN1CC[NH+](Cc2ccsc2)CC1)[N+](=O)[O-] ZINC000835187639 680304655 /nfs/dbraw/zinc/30/46/55/680304655.db2.gz RXDZAXBNQAMXFB-UHFFFAOYSA-N 1 1 369.487 2.244 20 5 FEBDMO C[N@H+](Cc1cccc(Cl)n1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964306 680394774 /nfs/dbraw/zinc/39/47/74/680394774.db2.gz DXKXMKDASRVNIB-HUUCEWRRSA-N 1 1 366.849 2.071 20 5 FEBDMO C[N@@H+](Cc1cccc(Cl)n1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964306 680394777 /nfs/dbraw/zinc/39/47/77/680394777.db2.gz DXKXMKDASRVNIB-HUUCEWRRSA-N 1 1 366.849 2.071 20 5 FEBDMO C[N@H+](Cc1cccc(Cl)n1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001029964306 680394780 /nfs/dbraw/zinc/39/47/80/680394780.db2.gz DXKXMKDASRVNIB-HUUCEWRRSA-N 1 1 366.849 2.071 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000835898975 680395378 /nfs/dbraw/zinc/39/53/78/680395378.db2.gz PAAJOQUVTBOLQY-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000835898975 680395381 /nfs/dbraw/zinc/39/53/81/680395381.db2.gz PAAJOQUVTBOLQY-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO C[N@@H+](Cc1ccc(F)cc1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985425760 680446932 /nfs/dbraw/zinc/44/69/32/680446932.db2.gz IBTIXLUSXCRONU-GDBMZVCRSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@H+](Cc1ccc(F)cc1F)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985425760 680446934 /nfs/dbraw/zinc/44/69/34/680446934.db2.gz IBTIXLUSXCRONU-GDBMZVCRSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@@H+](Cc1ccc(F)cc1F)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985425760 680446936 /nfs/dbraw/zinc/44/69/36/680446936.db2.gz IBTIXLUSXCRONU-GDBMZVCRSA-N 1 1 353.369 2.053 20 5 FEBDMO Cc1cc(C[NH+]2CC3(C2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC3)c(C)s1 ZINC001035708515 680451316 /nfs/dbraw/zinc/45/13/16/680451316.db2.gz WOJMTNJMWCEYDX-HZPDHXFCSA-N 1 1 363.483 2.455 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000836699002 680501714 /nfs/dbraw/zinc/50/17/14/680501714.db2.gz UTJFNMPPSGUCHX-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCN(C)CC2)cc1Cl ZINC000836699002 680501717 /nfs/dbraw/zinc/50/17/17/680501717.db2.gz UTJFNMPPSGUCHX-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCCC[N@@H+]2CCCN(C)CC2)cc1Cl ZINC000836699002 680501719 /nfs/dbraw/zinc/50/17/19/680501719.db2.gz UTJFNMPPSGUCHX-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO O=C(NC1CC[NH+](Cc2cccc(C(F)F)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789235 680508196 /nfs/dbraw/zinc/50/81/96/680508196.db2.gz SKLQFDRTPVGOSJ-HUUCEWRRSA-N 1 1 353.369 2.370 20 5 FEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])CC1 ZINC000836778866 680513079 /nfs/dbraw/zinc/51/30/79/680513079.db2.gz KIJZHRRCERYSPI-GFCCVEGCSA-N 1 1 355.822 2.085 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])c(Cl)c3)CC2)C1 ZINC000768712224 680955805 /nfs/dbraw/zinc/95/58/05/680955805.db2.gz NZVYVWKXLDAQQY-AWEZNQCLSA-N 1 1 366.849 2.100 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000772156654 681087989 /nfs/dbraw/zinc/08/79/89/681087989.db2.gz SDYDITLJCUWUES-OLZOCXBDSA-N 1 1 353.806 2.150 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000845155803 681107521 /nfs/dbraw/zinc/10/75/21/681107521.db2.gz SMRMSCISVARMSI-RYUDHWBXSA-N 1 1 350.371 2.297 20 5 FEBDMO CCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)CCO ZINC000912605182 685405752 /nfs/dbraw/zinc/40/57/52/685405752.db2.gz HOOYQKTVSFIQKN-UHFFFAOYSA-N 1 1 355.460 2.093 20 5 FEBDMO COc1cccc(C(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000774096010 681168319 /nfs/dbraw/zinc/16/83/19/681168319.db2.gz NPBFBUWMVLMQHQ-CYBMUJFWSA-N 1 1 352.387 2.117 20 5 FEBDMO O=C1NCCN1CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000933590740 681438479 /nfs/dbraw/zinc/43/84/79/681438479.db2.gz YNDKXFGTNPWEFS-UHFFFAOYSA-N 1 1 352.822 2.485 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352524 681527918 /nfs/dbraw/zinc/52/79/18/681527918.db2.gz QHSYCRUUUQBSHO-YPMHNXCESA-N 1 1 361.427 2.346 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000850551266 681915610 /nfs/dbraw/zinc/91/56/10/681915610.db2.gz UNELLOMGMHFTGR-JTQLQIEISA-N 1 1 368.821 2.176 20 5 FEBDMO CC[N@H+](Cc1ncc(C)s1)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957713178 681918882 /nfs/dbraw/zinc/91/88/82/681918882.db2.gz QHKZARLEQBHQMR-HUUCEWRRSA-N 1 1 366.487 2.177 20 5 FEBDMO CC[N@@H+](Cc1ncc(C)s1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713178 681918886 /nfs/dbraw/zinc/91/88/86/681918886.db2.gz QHKZARLEQBHQMR-HUUCEWRRSA-N 1 1 366.487 2.177 20 5 FEBDMO CC[N@H+](Cc1ncc(C)s1)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957713178 681918893 /nfs/dbraw/zinc/91/88/93/681918893.db2.gz QHKZARLEQBHQMR-HUUCEWRRSA-N 1 1 366.487 2.177 20 5 FEBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC(C[NH+]2CCOCC2)C1 ZINC000854589125 682568366 /nfs/dbraw/zinc/56/83/66/682568366.db2.gz BENBIVWGCNCUOQ-UHFFFAOYSA-N 1 1 374.224 2.306 20 5 FEBDMO O=C1C[C@]2(CC[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)CN1 ZINC000789770560 682630289 /nfs/dbraw/zinc/63/02/89/682630289.db2.gz ZELBALCLZTWXPK-CQSZACIVSA-N 1 1 354.204 2.069 20 5 FEBDMO O=C1C[C@]2(CC[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)CN1 ZINC000789770560 682630291 /nfs/dbraw/zinc/63/02/91/682630291.db2.gz ZELBALCLZTWXPK-CQSZACIVSA-N 1 1 354.204 2.069 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000855163117 682634331 /nfs/dbraw/zinc/63/43/31/682634331.db2.gz SPHIJWAOOYVVGF-LBPRGKRZSA-N 1 1 350.375 2.414 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000790265621 682663387 /nfs/dbraw/zinc/66/33/87/682663387.db2.gz NNFBRECQIDGEBD-JQWIXIFHSA-N 1 1 369.805 2.310 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000797604187 683261165 /nfs/dbraw/zinc/26/11/65/683261165.db2.gz ASJZPKNQIXUGPJ-CQSZACIVSA-N 1 1 356.220 2.315 20 5 FEBDMO COc1cc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@H+]2C)cc([N+](=O)[O-])c1C ZINC000861351985 683395633 /nfs/dbraw/zinc/39/56/33/683395633.db2.gz LIKJBBYRSMZKKZ-DYVFJYSZSA-N 1 1 352.387 2.178 20 5 FEBDMO C[C@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@H+]1C ZINC000928438451 683451414 /nfs/dbraw/zinc/45/14/14/683451414.db2.gz JXLISZQOJFBOOE-XVKPBYJWSA-N 1 1 360.183 2.319 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000928455807 683455260 /nfs/dbraw/zinc/45/52/60/683455260.db2.gz UKMFVGGJMKPOCH-WPRPVWTQSA-N 1 1 359.329 2.027 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C1 ZINC000862032564 683519570 /nfs/dbraw/zinc/51/95/70/683519570.db2.gz USZIWWNPBCLEBG-LLVKDONJSA-N 1 1 368.821 2.035 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NCCC[NH+]1CCOCC1 ZINC000929159528 683555279 /nfs/dbraw/zinc/55/52/79/683555279.db2.gz UYGUVVUSXJXHTL-UHFFFAOYSA-N 1 1 355.822 2.019 20 5 FEBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000929212168 683562893 /nfs/dbraw/zinc/56/28/93/683562893.db2.gz NWNONXWUBPYVDR-ZIAGYGMSSA-N 1 1 368.821 2.311 20 5 FEBDMO Cc1c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000862790840 683634141 /nfs/dbraw/zinc/63/41/41/683634141.db2.gz AETBUCMAHQIXFC-LBPRGKRZSA-N 1 1 350.375 2.273 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000866863722 684170518 /nfs/dbraw/zinc/17/05/18/684170518.db2.gz SIMXRRRMPOHUHI-VXGBXAGGSA-N 1 1 359.423 2.146 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434827 684282858 /nfs/dbraw/zinc/28/28/58/684282858.db2.gz XYWNVDYGCVFUHG-RWMBFGLXSA-N 1 1 366.849 2.459 20 5 FEBDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC000931849162 684355837 /nfs/dbraw/zinc/35/58/37/684355837.db2.gz XKVLVMVCKXOZNW-LSDHHAIUSA-N 1 1 350.419 2.091 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000923889773 684362383 /nfs/dbraw/zinc/36/23/83/684362383.db2.gz BBQVKJAKUMPQNY-HNNXBMFYSA-N 1 1 350.371 2.297 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC000923889773 684362386 /nfs/dbraw/zinc/36/23/86/684362386.db2.gz BBQVKJAKUMPQNY-HNNXBMFYSA-N 1 1 350.371 2.297 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000867815190 684397959 /nfs/dbraw/zinc/39/79/59/684397959.db2.gz YVCNHQJSXBJMTH-BXUZGUMPSA-N 1 1 373.862 2.271 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000872662537 684999656 /nfs/dbraw/zinc/99/96/56/684999656.db2.gz FWYSIHLVVGNIKO-QWHCGFSZSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000872662537 684999659 /nfs/dbraw/zinc/99/96/59/684999659.db2.gz FWYSIHLVVGNIKO-QWHCGFSZSA-N 1 1 359.835 2.105 20 5 FEBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000872720131 685008685 /nfs/dbraw/zinc/00/86/85/685008685.db2.gz INKAVJWDNDCUMI-QWHCGFSZSA-N 1 1 362.411 2.054 20 5 FEBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000872720131 685008687 /nfs/dbraw/zinc/00/86/87/685008687.db2.gz INKAVJWDNDCUMI-QWHCGFSZSA-N 1 1 362.411 2.054 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884951090 687971863 /nfs/dbraw/zinc/97/18/63/687971863.db2.gz XLWPVQBSUWOEJI-RYUDHWBXSA-N 1 1 359.835 2.153 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000885457154 688077844 /nfs/dbraw/zinc/07/78/44/688077844.db2.gz NMBSQRRDBDJNBT-WBVHZDCISA-N 1 1 367.471 2.026 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000885457358 688077951 /nfs/dbraw/zinc/07/79/51/688077951.db2.gz SANJJDLUZGTNMT-KGLIPLIRSA-N 1 1 353.444 2.151 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886564341 688275775 /nfs/dbraw/zinc/27/57/75/688275775.db2.gz TYMBQHRWZFIJPK-TXEJJXNPSA-N 1 1 351.428 2.227 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000886804564 688315380 /nfs/dbraw/zinc/31/53/80/688315380.db2.gz ZTOBCUZDNOJJOD-AWEZNQCLSA-N 1 1 361.320 2.170 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000886804325 688315611 /nfs/dbraw/zinc/31/56/11/688315611.db2.gz VOVCFVISPKFLHP-CQSZACIVSA-N 1 1 361.320 2.170 20 5 FEBDMO CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@H+](C)CC1 ZINC000888997186 688718214 /nfs/dbraw/zinc/71/82/14/688718214.db2.gz WZUICAOQWCMCTN-UHFFFAOYSA-N 1 1 362.455 2.129 20 5 FEBDMO CN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[N@@H+](C)CC1 ZINC000888997186 688718217 /nfs/dbraw/zinc/71/82/17/688718217.db2.gz WZUICAOQWCMCTN-UHFFFAOYSA-N 1 1 362.455 2.129 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000901141314 690618104 /nfs/dbraw/zinc/61/81/04/690618104.db2.gz XFUZZAMHPBVKJR-GFCCVEGCSA-N 1 1 373.812 2.354 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000906639043 691295955 /nfs/dbraw/zinc/29/59/55/691295955.db2.gz FRYBPNQKIQIZGG-UHFFFAOYSA-N 1 1 369.849 2.362 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)nc1Cl ZINC001164928546 721858358 /nfs/dbraw/zinc/85/83/58/721858358.db2.gz OEYCUIHQQQOYRW-OLZOCXBDSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc1Cl ZINC001164928546 721858359 /nfs/dbraw/zinc/85/83/59/721858359.db2.gz OEYCUIHQQQOYRW-OLZOCXBDSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164927595 721858742 /nfs/dbraw/zinc/85/87/42/721858742.db2.gz LNUSJQTVQYUVSL-KBPBESRZSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164927595 721858744 /nfs/dbraw/zinc/85/87/44/721858744.db2.gz LNUSJQTVQYUVSL-KBPBESRZSA-N 1 1 353.854 2.166 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000359956434 210199611 /nfs/dbraw/zinc/19/96/11/210199611.db2.gz KSYVRFDCKIDOLT-ZIAGYGMSSA-N 1 1 361.423 2.403 20 5 FEBDMO CC(C)C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000026224841 539781068 /nfs/dbraw/zinc/78/10/68/539781068.db2.gz CILQEIJIXRRMJR-MRXNPFEDSA-N 1 1 350.419 2.463 20 5 FEBDMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000029155838 539844570 /nfs/dbraw/zinc/84/45/70/539844570.db2.gz JHJBRGLTRYNOAV-UHFFFAOYSA-N 1 1 372.425 2.126 20 5 FEBDMO Cc1ccccc1N1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000029631100 539859351 /nfs/dbraw/zinc/85/93/51/539859351.db2.gz XUIBYHUIIKAQLM-SFHVURJKSA-N 1 1 371.437 2.465 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000032441180 539938911 /nfs/dbraw/zinc/93/89/11/539938911.db2.gz AXNHIQRLIYIYAY-QWHCGFSZSA-N 1 1 371.459 2.145 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000045744924 540225255 /nfs/dbraw/zinc/22/52/55/540225255.db2.gz NCIKSWNPHJFTQV-JSGCOSHPSA-N 1 1 355.460 2.302 20 5 FEBDMO CCOc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])cc1OC ZINC000046996634 540283672 /nfs/dbraw/zinc/28/36/72/540283672.db2.gz UBQMBVQELQTORQ-UONOGXRCSA-N 1 1 363.414 2.359 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000047147638 540292338 /nfs/dbraw/zinc/29/23/38/540292338.db2.gz ZRWRUGFRDSYSGO-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048321302 540357360 /nfs/dbraw/zinc/35/73/60/540357360.db2.gz CGKJMJQKKLPORY-RWMBFGLXSA-N 1 1 360.414 2.304 20 5 FEBDMO C[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048321302 540357362 /nfs/dbraw/zinc/35/73/62/540357362.db2.gz CGKJMJQKKLPORY-RWMBFGLXSA-N 1 1 360.414 2.304 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@H](C)[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000052101454 540453945 /nfs/dbraw/zinc/45/39/45/540453945.db2.gz WKCPFXAYODNAGO-OLZOCXBDSA-N 1 1 370.475 2.178 20 5 FEBDMO CCCNC(=O)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000052492676 540468004 /nfs/dbraw/zinc/46/80/04/540468004.db2.gz DZAGAPZVBWZHGJ-UHFFFAOYSA-N 1 1 373.413 2.383 20 5 FEBDMO CCC[NH+]1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000053887421 540558413 /nfs/dbraw/zinc/55/84/13/540558413.db2.gz BEJUDCKQQGXYSY-UHFFFAOYSA-N 1 1 373.356 2.373 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCCCn2cc[nH+]c2C)cc1OC ZINC000054352275 540584137 /nfs/dbraw/zinc/58/41/37/540584137.db2.gz AAKGSABERTZOOH-UHFFFAOYSA-N 1 1 362.386 2.327 20 5 FEBDMO C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333887 541303156 /nfs/dbraw/zinc/30/31/56/541303156.db2.gz VFVYBVOJAAADOA-LLVKDONJSA-N 1 1 361.489 2.445 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066333887 541303160 /nfs/dbraw/zinc/30/31/60/541303160.db2.gz VFVYBVOJAAADOA-LLVKDONJSA-N 1 1 361.489 2.445 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000066396314 541313910 /nfs/dbraw/zinc/31/39/10/541313910.db2.gz BWPFOYRWYIDWRI-LFAOLKIESA-N 1 1 359.426 2.320 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000067702566 541500798 /nfs/dbraw/zinc/50/07/98/541500798.db2.gz FBCAEIROGFHONQ-RKVPGOIHSA-N 1 1 361.442 2.238 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067706482 541502238 /nfs/dbraw/zinc/50/22/38/541502238.db2.gz DLQIFYTYAOCVIK-MRXNPFEDSA-N 1 1 354.410 2.397 20 5 FEBDMO C[N@@H+](CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000068305469 541574723 /nfs/dbraw/zinc/57/47/23/541574723.db2.gz OFDJKBNYRIOZLT-UHFFFAOYSA-N 1 1 371.393 2.034 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069298934 541675878 /nfs/dbraw/zinc/67/58/78/541675878.db2.gz OBRGDYAAGSUEJR-CQSZACIVSA-N 1 1 350.419 2.003 20 5 FEBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069710597 541706927 /nfs/dbraw/zinc/70/69/27/541706927.db2.gz XZFYRYODILZQDA-CQSZACIVSA-N 1 1 372.425 2.261 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000071895881 541774614 /nfs/dbraw/zinc/77/46/14/541774614.db2.gz VEPRRXWNQCTPRI-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000072665163 541847473 /nfs/dbraw/zinc/84/74/73/541847473.db2.gz HOPAWBQERYACSA-WMLDXEAASA-N 1 1 367.409 2.282 20 5 FEBDMO O=C1[C@H]([N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000072665163 541847476 /nfs/dbraw/zinc/84/74/76/541847476.db2.gz HOPAWBQERYACSA-WMLDXEAASA-N 1 1 367.409 2.282 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000072859025 541884039 /nfs/dbraw/zinc/88/40/39/541884039.db2.gz UFCSXYZGBVYYQV-LBPRGKRZSA-N 1 1 354.838 2.460 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C(C)C)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000077322881 542366956 /nfs/dbraw/zinc/36/69/56/542366956.db2.gz FJOIVIFTRZXZNY-UHFFFAOYSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)CN2CCC[N@@H+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000077361711 542373050 /nfs/dbraw/zinc/37/30/50/542373050.db2.gz ACRWERQAOBBNSO-UHFFFAOYSA-N 1 1 364.446 2.206 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000077451415 542383186 /nfs/dbraw/zinc/38/31/86/542383186.db2.gz UYXHMYRFWVTIHW-MRXNPFEDSA-N 1 1 360.458 2.003 20 5 FEBDMO O=c1[nH]cnc2cc(N3CCC[N@H+](C4CCCC4)CC3)c([N+](=O)[O-])cc21 ZINC000077994924 542436854 /nfs/dbraw/zinc/43/68/54/542436854.db2.gz ZMFBGPDOUJHUDS-UHFFFAOYSA-N 1 1 357.414 2.286 20 5 FEBDMO CN(C(=O)CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000081631848 542669262 /nfs/dbraw/zinc/66/92/62/542669262.db2.gz KPTQUTLROFBIJN-INIZCTEOSA-N 1 1 360.458 2.221 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000098098375 543020855 /nfs/dbraw/zinc/02/08/55/543020855.db2.gz FWYUVLUMGDBCFQ-OAHLLOKOSA-N 1 1 357.414 2.031 20 5 FEBDMO CNC(=O)[C@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104672758 543136513 /nfs/dbraw/zinc/13/65/13/543136513.db2.gz QZADNAMZLAOWSQ-OAHLLOKOSA-N 1 1 358.398 2.393 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000106864452 543250523 /nfs/dbraw/zinc/25/05/23/543250523.db2.gz FAKFZRXLOMVLEM-WFASDCNBSA-N 1 1 351.403 2.167 20 5 FEBDMO CCC[NH+]1CCC(N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000109787013 543338983 /nfs/dbraw/zinc/33/89/83/543338983.db2.gz LOPWBJQUTLKVKB-KRWDZBQOSA-N 1 1 351.447 2.141 20 5 FEBDMO CCNC(=O)N1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000111196158 543384568 /nfs/dbraw/zinc/38/45/68/543384568.db2.gz DCDNXXNHESVLJM-UHFFFAOYSA-N 1 1 373.413 2.139 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@@H+](C)Cc1ccccc1 ZINC000111348312 543398189 /nfs/dbraw/zinc/39/81/89/543398189.db2.gz UXXBMKDALNRIQU-LBPRGKRZSA-N 1 1 369.468 2.455 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](CC(N)=O)Cc1ccccc1 ZINC000112350659 543442577 /nfs/dbraw/zinc/44/25/77/543442577.db2.gz KBHBDJZLYAGJAH-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000112350659 543442579 /nfs/dbraw/zinc/44/25/79/543442579.db2.gz KBHBDJZLYAGJAH-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO CC[N@@H+](C)CCNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000112926318 543469142 /nfs/dbraw/zinc/46/91/42/543469142.db2.gz FXKBSXGBMLDYPZ-UHFFFAOYSA-N 1 1 359.430 2.138 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000115439336 543567772 /nfs/dbraw/zinc/56/77/72/543567772.db2.gz DAXAFSFTSLENQM-CYBMUJFWSA-N 1 1 365.430 2.416 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115586001 543575938 /nfs/dbraw/zinc/57/59/38/543575938.db2.gz OCUSKFNDYACBAN-ZDUSSCGKSA-N 1 1 355.460 2.120 20 5 FEBDMO C[C@@H](C(=O)NC1CCCCC1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867030 543660955 /nfs/dbraw/zinc/66/09/55/543660955.db2.gz WKYISEYVGKTDPH-ZFWWWQNUSA-N 1 1 361.446 2.313 20 5 FEBDMO C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118867030 543660959 /nfs/dbraw/zinc/66/09/59/543660959.db2.gz WKYISEYVGKTDPH-ZFWWWQNUSA-N 1 1 361.446 2.313 20 5 FEBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1 ZINC000125011296 543855963 /nfs/dbraw/zinc/85/59/63/543855963.db2.gz GURYUPBGNSHHCO-UKRRQHHQSA-N 1 1 371.397 2.135 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000126039211 543914657 /nfs/dbraw/zinc/91/46/57/543914657.db2.gz ODTPTIVZBOESFY-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO Cc1cccc(NCCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[nH+]1 ZINC000126338872 543930733 /nfs/dbraw/zinc/93/07/33/543930733.db2.gz VZIMWEICELOCLI-UHFFFAOYSA-N 1 1 366.381 2.326 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000125630951 543892512 /nfs/dbraw/zinc/89/25/12/543892512.db2.gz GOBOPMAMEGICQG-VXGBXAGGSA-N 1 1 359.473 2.070 20 5 FEBDMO C[N@H+](CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCSC1 ZINC000126981851 543966535 /nfs/dbraw/zinc/96/65/35/543966535.db2.gz OEMBYURJHMEBBJ-ZDUSSCGKSA-N 1 1 361.427 2.361 20 5 FEBDMO C[N@@H+](CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1CCSC1 ZINC000126981851 543966537 /nfs/dbraw/zinc/96/65/37/543966537.db2.gz OEMBYURJHMEBBJ-ZDUSSCGKSA-N 1 1 361.427 2.361 20 5 FEBDMO CCOC(=O)c1cc(NC[C@@H](C)C[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000127006500 543967585 /nfs/dbraw/zinc/96/75/85/543967585.db2.gz MGQPHMBPTRAIKA-CYBMUJFWSA-N 1 1 351.403 2.152 20 5 FEBDMO O=C(NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000127354906 543987614 /nfs/dbraw/zinc/98/76/14/543987614.db2.gz UYJZWSFGYLEWQG-HZPDHXFCSA-N 1 1 373.384 2.099 20 5 FEBDMO CC(C)OC(=O)[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128910109 544080375 /nfs/dbraw/zinc/08/03/75/544080375.db2.gz YAOKHNOBTHILNO-LLVKDONJSA-N 1 1 355.366 2.334 20 5 FEBDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128910109 544080379 /nfs/dbraw/zinc/08/03/79/544080379.db2.gz YAOKHNOBTHILNO-LLVKDONJSA-N 1 1 355.366 2.334 20 5 FEBDMO C[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000129745272 544125809 /nfs/dbraw/zinc/12/58/09/544125809.db2.gz OZZSLQLNRVNXMQ-KSSFIOAISA-N 1 1 369.425 2.264 20 5 FEBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1n1ccnc1 ZINC000129745272 544125811 /nfs/dbraw/zinc/12/58/11/544125811.db2.gz OZZSLQLNRVNXMQ-KSSFIOAISA-N 1 1 369.425 2.264 20 5 FEBDMO CS(=O)(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000130871931 544168756 /nfs/dbraw/zinc/16/87/56/544168756.db2.gz OAICKXCNOWREJV-HNNXBMFYSA-N 1 1 367.471 2.231 20 5 FEBDMO C[C@@H]1C[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@H+]1Cc1ccccc1 ZINC000131960982 544213589 /nfs/dbraw/zinc/21/35/89/544213589.db2.gz OMLBRBLDAXLLEB-WBVHZDCISA-N 1 1 371.441 2.208 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000134927834 544327408 /nfs/dbraw/zinc/32/74/08/544327408.db2.gz GPKJZYKTJWUSDW-INIZCTEOSA-N 1 1 368.865 2.250 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134934800 544328351 /nfs/dbraw/zinc/32/83/51/544328351.db2.gz DNUFXIHFXCFHPH-UHFFFAOYSA-N 1 1 368.865 2.252 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000136414170 544372873 /nfs/dbraw/zinc/37/28/73/544372873.db2.gz UYTZJNGRWQCFMZ-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000136028007 544364830 /nfs/dbraw/zinc/36/48/30/544364830.db2.gz ROPWFSNBULMBDN-CQSZACIVSA-N 1 1 357.414 2.385 20 5 FEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@H]1CCCN1c1cccnn1 ZINC000137039867 544383619 /nfs/dbraw/zinc/38/36/19/544383619.db2.gz YXUMKKQAEPFUOF-SJORKVTESA-N 1 1 357.414 2.019 20 5 FEBDMO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)[N@@H+](C)C1CC1 ZINC000151237220 544520183 /nfs/dbraw/zinc/52/01/83/544520183.db2.gz UVIBLFVIOQJASD-SNVBAGLBSA-N 1 1 370.247 2.499 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000153194995 544745452 /nfs/dbraw/zinc/74/54/52/544745452.db2.gz FKVARJGLKSVFDF-UHFFFAOYSA-N 1 1 367.471 2.236 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153564897 544791938 /nfs/dbraw/zinc/79/19/38/544791938.db2.gz CUWKXUPSGHHTCG-UHFFFAOYSA-N 1 1 369.853 2.024 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153564897 544791941 /nfs/dbraw/zinc/79/19/41/544791941.db2.gz CUWKXUPSGHHTCG-UHFFFAOYSA-N 1 1 369.853 2.024 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000153960859 544845153 /nfs/dbraw/zinc/84/51/53/544845153.db2.gz NTJACHNJXPQNIX-OAHLLOKOSA-N 1 1 371.441 2.488 20 5 FEBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153974899 544847361 /nfs/dbraw/zinc/84/73/61/544847361.db2.gz YALTXDHEPIKKKE-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000153974899 544847367 /nfs/dbraw/zinc/84/73/67/544847367.db2.gz YALTXDHEPIKKKE-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(OCCCO)CC2)cccc1[N+](=O)[O-] ZINC000154943727 544968219 /nfs/dbraw/zinc/96/82/19/544968219.db2.gz PECZXJNBUPNRGE-CQSZACIVSA-N 1 1 365.430 2.094 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000179566555 327649965 /nfs/dbraw/zinc/64/99/65/327649965.db2.gz KRPMIFQELWXAJM-ZDUSSCGKSA-N 1 1 368.397 2.352 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000180094381 327670701 /nfs/dbraw/zinc/67/07/01/327670701.db2.gz SYXFJHQFOPYCNV-NSHDSACASA-N 1 1 365.411 2.102 20 5 FEBDMO C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000182408850 327774262 /nfs/dbraw/zinc/77/42/62/327774262.db2.gz TZHKZDIRTRGGMC-LBPRGKRZSA-N 1 1 350.396 2.425 20 5 FEBDMO CC[C@]1(CO)CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187525187 328031569 /nfs/dbraw/zinc/03/15/69/328031569.db2.gz FESCGQZJXUKAEU-SFHVURJKSA-N 1 1 365.430 2.417 20 5 FEBDMO CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000188079719 328064669 /nfs/dbraw/zinc/06/46/69/328064669.db2.gz ZMZOTXQHFZVCAS-HXUWFJFHSA-N 1 1 369.421 2.304 20 5 FEBDMO O=C(CC[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189015342 328123507 /nfs/dbraw/zinc/12/35/07/328123507.db2.gz WZQCZMAXLVXACO-GTKHYJCHSA-N 1 1 351.378 2.155 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000191773571 328281029 /nfs/dbraw/zinc/28/10/29/328281029.db2.gz KWPUYNGBUTYTNT-OKILXGFUSA-N 1 1 351.451 2.299 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000192549126 328325211 /nfs/dbraw/zinc/32/52/11/328325211.db2.gz UNSYLZLVHSXJLU-GASCZTMLSA-N 1 1 364.494 2.114 20 5 FEBDMO CCc1[nH]nc(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000192565372 328326138 /nfs/dbraw/zinc/32/61/38/328326138.db2.gz RVWGIULDALLFLG-UHFFFAOYSA-N 1 1 361.402 2.210 20 5 FEBDMO COc1cccc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000192687520 328333378 /nfs/dbraw/zinc/33/33/78/328333378.db2.gz DLWHEUQQFPTGET-OKILXGFUSA-N 1 1 365.430 2.223 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193595972 328384550 /nfs/dbraw/zinc/38/45/50/328384550.db2.gz PTZROWHTOLYVMQ-UHFFFAOYSA-N 1 1 350.419 2.280 20 5 FEBDMO C[C@H](CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000193663619 328388414 /nfs/dbraw/zinc/38/84/14/328388414.db2.gz KKLOFFMZIYNRHA-CYBMUJFWSA-N 1 1 358.398 2.336 20 5 FEBDMO Cn1cc(C[NH2+]Cc2nnc3ccccn32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237774139 328528051 /nfs/dbraw/zinc/52/80/51/328528051.db2.gz VAWZXHQBKLKXOT-UHFFFAOYSA-N 1 1 363.381 2.328 20 5 FEBDMO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)cn1 ZINC000110586231 325689742 /nfs/dbraw/zinc/68/97/42/325689742.db2.gz RFDOFVKNBNAGFH-UHFFFAOYSA-N 1 1 352.398 2.199 20 5 FEBDMO Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118867165 326109975 /nfs/dbraw/zinc/10/99/75/326109975.db2.gz NRCWLRALUHRWPX-INIZCTEOSA-N 1 1 369.425 2.101 20 5 FEBDMO Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118867165 326109977 /nfs/dbraw/zinc/10/99/77/326109977.db2.gz NRCWLRALUHRWPX-INIZCTEOSA-N 1 1 369.425 2.101 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000119050205 326121862 /nfs/dbraw/zinc/12/18/62/326121862.db2.gz VFTZISCPGDPRFH-UHFFFAOYSA-N 1 1 352.416 2.119 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000119060587 326123096 /nfs/dbraw/zinc/12/30/96/326123096.db2.gz ZZYUIGZLZPDLSI-CQSZACIVSA-N 1 1 370.475 2.165 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)C[C@H](C)O1 ZINC000120341378 326250942 /nfs/dbraw/zinc/25/09/42/326250942.db2.gz IOQCWKZQBPAGNX-BETUJISGSA-N 1 1 360.414 2.305 20 5 FEBDMO Cn1cc(C[N@H+](C)CC(=O)NC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120646717 326276025 /nfs/dbraw/zinc/27/60/25/326276025.db2.gz OBNMOHHRVUJDOG-UHFFFAOYSA-N 1 1 359.430 2.342 20 5 FEBDMO Cn1cc(C[N@@H+](C)CC(=O)NC(C)(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000120646717 326276026 /nfs/dbraw/zinc/27/60/26/326276026.db2.gz OBNMOHHRVUJDOG-UHFFFAOYSA-N 1 1 359.430 2.342 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000120702052 326280106 /nfs/dbraw/zinc/28/01/06/326280106.db2.gz OUICLGADOPXIOJ-JSGCOSHPSA-N 1 1 365.430 2.414 20 5 FEBDMO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)CN1CCN(C)CC1 ZINC000120811900 326290266 /nfs/dbraw/zinc/29/02/66/326290266.db2.gz ULSGRODLUNVEJF-LPHOPBHVSA-N 1 1 360.502 2.389 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000120914868 326298538 /nfs/dbraw/zinc/29/85/38/326298538.db2.gz BIBNLXLYNYYQCM-GXTWGEPZSA-N 1 1 355.460 2.172 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000121649232 326354863 /nfs/dbraw/zinc/35/48/63/326354863.db2.gz QOAUUHXPNNTJMN-CXAGYDPISA-N 1 1 365.455 2.232 20 5 FEBDMO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000121723398 326361740 /nfs/dbraw/zinc/36/17/40/326361740.db2.gz NEESGUHXPWPMKD-SNVBAGLBSA-N 1 1 356.220 2.347 20 5 FEBDMO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153616010 326737903 /nfs/dbraw/zinc/73/79/03/326737903.db2.gz LGNMSZVURGRBCK-LSDHHAIUSA-N 1 1 350.463 2.280 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000173265762 327245070 /nfs/dbraw/zinc/24/50/70/327245070.db2.gz DKUHADAJOAAHQM-PWSUYJOCSA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000173474102 327260012 /nfs/dbraw/zinc/26/00/12/327260012.db2.gz VMMDIMRTKPFLTB-DOTOQJQBSA-N 1 1 372.425 2.224 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173668472 327275098 /nfs/dbraw/zinc/27/50/98/327275098.db2.gz FJEYRLUHDBODGY-AWEZNQCLSA-N 1 1 355.460 2.398 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173671616 327275554 /nfs/dbraw/zinc/27/55/54/327275554.db2.gz JYOIMVBLNLIKTI-LBPRGKRZSA-N 1 1 359.423 2.229 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173906306 327293475 /nfs/dbraw/zinc/29/34/75/327293475.db2.gz TYUDWWQUKPPIOF-CQSZACIVSA-N 1 1 364.446 2.206 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC000174150499 327308787 /nfs/dbraw/zinc/30/87/87/327308787.db2.gz AQSSCWQISWCGTD-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000174538827 327333552 /nfs/dbraw/zinc/33/35/52/327333552.db2.gz VODGMJZGFYCHAE-GFCCVEGCSA-N 1 1 351.403 2.026 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174563277 327335234 /nfs/dbraw/zinc/33/52/34/327335234.db2.gz JMTKJBUELXTJJH-CYBMUJFWSA-N 1 1 357.414 2.419 20 5 FEBDMO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174783262 327350830 /nfs/dbraw/zinc/35/08/30/327350830.db2.gz NMSOJASXCMJENR-HOCLYGCPSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000174783262 327350831 /nfs/dbraw/zinc/35/08/31/327350831.db2.gz NMSOJASXCMJENR-HOCLYGCPSA-N 1 1 356.444 2.261 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000175272201 327383675 /nfs/dbraw/zinc/38/36/75/327383675.db2.gz JJJUPJPBRLOUFI-ZFWWWQNUSA-N 1 1 370.409 2.478 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3nc4ccccc4s3)CC2)n1 ZINC000176208229 327440904 /nfs/dbraw/zinc/44/09/04/327440904.db2.gz BJUKNFXRMWMYJD-UHFFFAOYSA-N 1 1 358.427 2.223 20 5 FEBDMO Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000261727412 328815063 /nfs/dbraw/zinc/81/50/63/328815063.db2.gz MIZCVVQDAAQFAN-INIZCTEOSA-N 1 1 371.441 2.413 20 5 FEBDMO CN(CCC[NH+]1CCN(C)CC1)c1ccc(Br)cc1[N+](=O)[O-] ZINC000264669386 329046537 /nfs/dbraw/zinc/04/65/37/329046537.db2.gz TXEIZKFGHFPMMJ-UHFFFAOYSA-N 1 1 371.279 2.431 20 5 FEBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264696013 329049921 /nfs/dbraw/zinc/04/99/21/329049921.db2.gz GGJANDBJWQRVSJ-NSHDSACASA-N 1 1 366.418 2.039 20 5 FEBDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264696013 329049923 /nfs/dbraw/zinc/04/99/23/329049923.db2.gz GGJANDBJWQRVSJ-NSHDSACASA-N 1 1 366.418 2.039 20 5 FEBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)oc1C ZINC000264726441 329053907 /nfs/dbraw/zinc/05/39/07/329053907.db2.gz PWWOYELHOZGNOE-UHFFFAOYSA-N 1 1 361.402 2.170 20 5 FEBDMO COC(=O)[C@@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265012791 329083138 /nfs/dbraw/zinc/08/31/38/329083138.db2.gz FYLVZKQAMVZVSU-WFASDCNBSA-N 1 1 361.398 2.197 20 5 FEBDMO COc1cc(OCC(=O)NCCCNc2ccc(C)c[nH+]2)ccc1[N+](=O)[O-] ZINC000265650339 329146683 /nfs/dbraw/zinc/14/66/83/329146683.db2.gz XIYPUFGELZKSBQ-UHFFFAOYSA-N 1 1 374.397 2.304 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000265922107 329173085 /nfs/dbraw/zinc/17/30/85/329173085.db2.gz CGVOWKZEDYSLBV-ZDUSSCGKSA-N 1 1 351.403 2.216 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266032940 329183456 /nfs/dbraw/zinc/18/34/56/329183456.db2.gz SEHMDAKSQICWQA-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000266032940 329183458 /nfs/dbraw/zinc/18/34/58/329183458.db2.gz SEHMDAKSQICWQA-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000266180475 329197667 /nfs/dbraw/zinc/19/76/67/329197667.db2.gz XRKJFXRZMIYZQC-ZDUSSCGKSA-N 1 1 355.460 2.160 20 5 FEBDMO C[C@@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[C@H](C)[NH+]1CCOCC1 ZINC000266365424 329215421 /nfs/dbraw/zinc/21/54/21/329215421.db2.gz KZCYNMPXPXDXEX-OLZOCXBDSA-N 1 1 364.402 2.073 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000266624793 329243037 /nfs/dbraw/zinc/24/30/37/329243037.db2.gz NCHCKVPTTQUMHK-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO CCOC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000267064817 329288178 /nfs/dbraw/zinc/28/81/78/329288178.db2.gz JMWINYXNDDYGTL-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000267064817 329288180 /nfs/dbraw/zinc/28/81/80/329288180.db2.gz JMWINYXNDDYGTL-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000267126862 329294513 /nfs/dbraw/zinc/29/45/13/329294513.db2.gz BTQDIAKPVJVCEQ-UHFFFAOYSA-N 1 1 352.416 2.085 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000267437876 329327278 /nfs/dbraw/zinc/32/72/78/329327278.db2.gz NXUJMMFVZKACDL-RHSMWYFYSA-N 1 1 371.441 2.127 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000268178580 329393697 /nfs/dbraw/zinc/39/36/97/329393697.db2.gz KYGINXLRIXOSDC-XJKSGUPXSA-N 1 1 358.442 2.408 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000276608369 330169568 /nfs/dbraw/zinc/16/95/68/330169568.db2.gz PFBAUSAKTFBGCA-CYBMUJFWSA-N 1 1 367.833 2.351 20 5 FEBDMO Cc1cc(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)ccc1[N+](=O)[O-] ZINC000294211154 330193044 /nfs/dbraw/zinc/19/30/44/330193044.db2.gz MDSHIOAKAXXSHI-UHFFFAOYSA-N 1 1 351.451 2.250 20 5 FEBDMO Cc1cc(NC(=O)N(C)CCCN(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000294211154 330193045 /nfs/dbraw/zinc/19/30/45/330193045.db2.gz MDSHIOAKAXXSHI-UHFFFAOYSA-N 1 1 351.451 2.250 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000367037048 330209707 /nfs/dbraw/zinc/20/97/07/330209707.db2.gz JUJJCHLFSPWSGJ-WMLDXEAASA-N 1 1 374.441 2.222 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000367037049 330209878 /nfs/dbraw/zinc/20/98/78/330209878.db2.gz JUJJCHLFSPWSGJ-YOEHRIQHSA-N 1 1 374.441 2.222 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000367061804 330212671 /nfs/dbraw/zinc/21/26/71/330212671.db2.gz YMBRSQDCEZAVAV-ZWKOTPCHSA-N 1 1 374.441 2.132 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367169567 330225348 /nfs/dbraw/zinc/22/53/48/330225348.db2.gz ARMZJUHIYPFJPK-RYUDHWBXSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000367169567 330225350 /nfs/dbraw/zinc/22/53/50/330225350.db2.gz ARMZJUHIYPFJPK-RYUDHWBXSA-N 1 1 353.806 2.231 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000367221114 330231957 /nfs/dbraw/zinc/23/19/57/330231957.db2.gz CZNDHEVXWQCTOT-LLVKDONJSA-N 1 1 354.370 2.313 20 5 FEBDMO COCC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433183691 330275354 /nfs/dbraw/zinc/27/53/54/330275354.db2.gz UYHOFGSMQHOVLQ-CYBMUJFWSA-N 1 1 353.444 2.377 20 5 FEBDMO COCC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433183691 330275355 /nfs/dbraw/zinc/27/53/55/330275355.db2.gz UYHOFGSMQHOVLQ-CYBMUJFWSA-N 1 1 353.444 2.377 20 5 FEBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000440854977 330277588 /nfs/dbraw/zinc/27/75/88/330277588.db2.gz BFUFBYZGJBNISM-NSHDSACASA-N 1 1 361.851 2.319 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000555751246 674374970 /nfs/dbraw/zinc/37/49/70/674374970.db2.gz RPFXIHPNFXLSHD-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000555751246 674374971 /nfs/dbraw/zinc/37/49/71/674374971.db2.gz RPFXIHPNFXLSHD-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000247556394 549356061 /nfs/dbraw/zinc/35/60/61/549356061.db2.gz QJFKVISUWFYELI-MSOLQXFVSA-N 1 1 359.430 2.055 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000155312170 545509886 /nfs/dbraw/zinc/50/98/86/545509886.db2.gz ODQUMWXRJMLTDZ-WFASDCNBSA-N 1 1 351.378 2.055 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H]2c2nncn2C)cccc1[N+](=O)[O-] ZINC000157109876 545701164 /nfs/dbraw/zinc/70/11/64/545701164.db2.gz VEQCMEFCIMYHMQ-HNNXBMFYSA-N 1 1 358.402 2.197 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2nncn2C)cccc1[N+](=O)[O-] ZINC000157109876 545701167 /nfs/dbraw/zinc/70/11/67/545701167.db2.gz VEQCMEFCIMYHMQ-HNNXBMFYSA-N 1 1 358.402 2.197 20 5 FEBDMO Cc1c(CNC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000478394452 561165833 /nfs/dbraw/zinc/16/58/33/561165833.db2.gz CGKBIHFGMSOBTG-QGZVFWFLSA-N 1 1 364.446 2.059 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000159709748 545974167 /nfs/dbraw/zinc/97/41/67/545974167.db2.gz HTQSOOYMWJYPKC-UHFFFAOYSA-N 1 1 374.416 2.104 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000159709748 545974175 /nfs/dbraw/zinc/97/41/75/545974175.db2.gz HTQSOOYMWJYPKC-UHFFFAOYSA-N 1 1 374.416 2.104 20 5 FEBDMO COc1c(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)nn1C ZINC000160148582 546012498 /nfs/dbraw/zinc/01/24/98/546012498.db2.gz QGGYZBJFCUHPSU-UHFFFAOYSA-N 1 1 370.413 2.336 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000479946892 561200060 /nfs/dbraw/zinc/20/00/60/561200060.db2.gz GJCKVFRVMSYENP-UHFFFAOYSA-N 1 1 367.402 2.110 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000177036959 546529101 /nfs/dbraw/zinc/52/91/01/546529101.db2.gz JGVCBHQSYMMFDK-JSGCOSHPSA-N 1 1 355.398 2.136 20 5 FEBDMO Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])cnc3C)CC2)nc(C)[nH+]1 ZINC000178191890 546755370 /nfs/dbraw/zinc/75/53/70/546755370.db2.gz GERRATJVLONUFI-UHFFFAOYSA-N 1 1 370.413 2.104 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H](C(C)C)C1 ZINC000481331683 561231043 /nfs/dbraw/zinc/23/10/43/561231043.db2.gz QPIVAPGAPPXNGB-INIZCTEOSA-N 1 1 351.403 2.289 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178629645 546823712 /nfs/dbraw/zinc/82/37/12/546823712.db2.gz KZERZRSALOWNQK-DGCLKSJQSA-N 1 1 352.822 2.355 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H](c3nncn3C3CC3)C2)c1 ZINC000180866231 547197158 /nfs/dbraw/zinc/19/71/58/547197158.db2.gz REOXSDDYRZLNPN-WMLDXEAASA-N 1 1 357.414 2.434 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(O[C@H]4CCOC4)CC3)n2)c1 ZINC000483047316 561265891 /nfs/dbraw/zinc/26/58/91/561265891.db2.gz LTFGWFGGPOMTOD-INIZCTEOSA-N 1 1 374.397 2.415 20 5 FEBDMO Cc1cnc(CC[N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])s1 ZINC000182253667 547461025 /nfs/dbraw/zinc/46/10/25/547461025.db2.gz BDYKWBSSMSXUEH-CYBMUJFWSA-N 1 1 351.428 2.274 20 5 FEBDMO CC(C)[C@H](CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCOCC1 ZINC000182498316 547503433 /nfs/dbraw/zinc/50/34/33/547503433.db2.gz XHZQCRTXRZKDOK-GUYCJALGSA-N 1 1 367.421 2.310 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000182681957 547533476 /nfs/dbraw/zinc/53/34/76/547533476.db2.gz QGBLDHADBDSANP-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO COc1cccc2c1CC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000182729355 547541801 /nfs/dbraw/zinc/54/18/01/547541801.db2.gz MVHFCGBMOSSLKK-INIZCTEOSA-N 1 1 358.394 2.401 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc([N+](=O)[O-])cc1F ZINC000183766533 547715797 /nfs/dbraw/zinc/71/57/97/547715797.db2.gz MSLFANZRFAGERV-INIZCTEOSA-N 1 1 373.384 2.231 20 5 FEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C2 ZINC000184613700 547854794 /nfs/dbraw/zinc/85/47/94/547854794.db2.gz BFJXQXKUZOOIPC-JKSUJKDBSA-N 1 1 367.471 2.372 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000185446272 547985984 /nfs/dbraw/zinc/98/59/84/547985984.db2.gz FUOYAVRMCABKQN-OAHLLOKOSA-N 1 1 370.409 2.432 20 5 FEBDMO CCN1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C1=O ZINC000186519291 548146567 /nfs/dbraw/zinc/14/65/67/548146567.db2.gz FNWCIMMJIBMWQW-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(C)(C)C1=O ZINC000186519291 548146569 /nfs/dbraw/zinc/14/65/69/548146569.db2.gz FNWCIMMJIBMWQW-UHFFFAOYSA-N 1 1 362.430 2.175 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000485910241 561332206 /nfs/dbraw/zinc/33/22/06/561332206.db2.gz ZCCIRDJMAUBUAD-CYBMUJFWSA-N 1 1 364.446 2.467 20 5 FEBDMO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000186990585 548235973 /nfs/dbraw/zinc/23/59/73/548235973.db2.gz KLSHVOKESNCSAQ-UHFFFAOYSA-N 1 1 362.430 2.424 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000194722845 548520981 /nfs/dbraw/zinc/52/09/81/548520981.db2.gz LRPPQDHAUWIUTP-UHFFFAOYSA-N 1 1 353.444 2.234 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000194848148 548539791 /nfs/dbraw/zinc/53/97/91/548539791.db2.gz KOARRJTZEMIMGW-QGZVFWFLSA-N 1 1 369.421 2.052 20 5 FEBDMO O=[N+]([O-])c1cccc(CN2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1 ZINC000195198695 548595377 /nfs/dbraw/zinc/59/53/77/548595377.db2.gz ZIFIMDZMBRWNCE-IBGZPJMESA-N 1 1 371.437 2.152 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000245441759 548921345 /nfs/dbraw/zinc/92/13/45/548921345.db2.gz HOPAWBQERYACSA-PBHICJAKSA-N 1 1 367.409 2.282 20 5 FEBDMO O=C1[C@@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000245441759 548921349 /nfs/dbraw/zinc/92/13/49/548921349.db2.gz HOPAWBQERYACSA-PBHICJAKSA-N 1 1 367.409 2.282 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245526212 548939198 /nfs/dbraw/zinc/93/91/98/548939198.db2.gz AJVQJEFOUYJTMD-CZUORRHYSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000246693325 549190329 /nfs/dbraw/zinc/19/03/29/549190329.db2.gz YYQBTQJRTRWEFV-DZGCQCFKSA-N 1 1 355.460 2.254 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246836202 549224938 /nfs/dbraw/zinc/22/49/38/549224938.db2.gz KIANFSXOAYDWNZ-CVEARBPZSA-N 1 1 365.455 2.438 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000246862993 549231760 /nfs/dbraw/zinc/23/17/60/549231760.db2.gz FQSRVTVLFDPYED-IAGOWNOFSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000246862993 549231762 /nfs/dbraw/zinc/23/17/62/549231762.db2.gz FQSRVTVLFDPYED-IAGOWNOFSA-N 1 1 363.414 2.112 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000247734450 549375573 /nfs/dbraw/zinc/37/55/73/549375573.db2.gz VIWQKCSLKQQOKZ-CHWSQXEVSA-N 1 1 351.403 2.431 20 5 FEBDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000248474068 549447916 /nfs/dbraw/zinc/44/79/16/549447916.db2.gz XCCRRFWXOHLDFA-XOKHGSTOSA-N 1 1 352.431 2.470 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000249137585 549559190 /nfs/dbraw/zinc/55/91/90/549559190.db2.gz YYJUGOISSFARBA-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000253544400 549692863 /nfs/dbraw/zinc/69/28/63/549692863.db2.gz RCXMFGWHDWOUFU-MEDUHNTESA-N 1 1 358.398 2.261 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C[NH+](C)C ZINC000490063284 561425585 /nfs/dbraw/zinc/42/55/85/561425585.db2.gz RTGHWDBDRPTHKB-MRVPVSSYSA-N 1 1 370.258 2.378 20 5 FEBDMO CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000490650064 561436720 /nfs/dbraw/zinc/43/67/20/561436720.db2.gz OBXKTMHMSPGOMN-UHFFFAOYSA-N 1 1 363.414 2.148 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000268313467 550048262 /nfs/dbraw/zinc/04/82/62/550048262.db2.gz YIKUDXAERPSEEJ-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000268313467 550048264 /nfs/dbraw/zinc/04/82/64/550048264.db2.gz YIKUDXAERPSEEJ-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000268791497 550116128 /nfs/dbraw/zinc/11/61/28/550116128.db2.gz AGTFBTFJZKKKOK-GDBMZVCRSA-N 1 1 358.442 2.408 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C1 ZINC000269121249 550157602 /nfs/dbraw/zinc/15/76/02/550157602.db2.gz DBWPSLLWCWILJR-CRAIPNDOSA-N 1 1 356.426 2.492 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000493036942 561454216 /nfs/dbraw/zinc/45/42/16/561454216.db2.gz XHXMCBGSXCJDPE-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000271152778 550345712 /nfs/dbraw/zinc/34/57/12/550345712.db2.gz LTJIMAXRNBXOJZ-GFCCVEGCSA-N 1 1 352.387 2.197 20 5 FEBDMO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000271654559 550392634 /nfs/dbraw/zinc/39/26/34/550392634.db2.gz VYXJRNFYCYYQDF-WMLDXEAASA-N 1 1 364.446 2.312 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000271975241 550414183 /nfs/dbraw/zinc/41/41/83/550414183.db2.gz NQKGRTODCJIBBJ-UHFFFAOYSA-N 1 1 365.455 2.325 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272274179 550433335 /nfs/dbraw/zinc/43/33/35/550433335.db2.gz LXDWCIXITUTVBB-IUODEOHRSA-N 1 1 357.414 2.267 20 5 FEBDMO C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1=CC[N@@H+](C)CC1 ZINC000272974626 550479045 /nfs/dbraw/zinc/47/90/45/550479045.db2.gz ORMMRQRPXGALRL-ZDUSSCGKSA-N 1 1 355.398 2.161 20 5 FEBDMO C[C@@H](NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1=CC[N@@H+](C)CC1 ZINC000273056134 550482828 /nfs/dbraw/zinc/48/28/28/550482828.db2.gz XXMGOPLGQRYCDO-OAHLLOKOSA-N 1 1 373.457 2.077 20 5 FEBDMO CCN1CC[NH+](Cc2ccccc2CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273680937 550507825 /nfs/dbraw/zinc/50/78/25/550507825.db2.gz ZDBRRXYYSFRRNO-UHFFFAOYSA-N 1 1 356.430 2.134 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC000273907277 550515369 /nfs/dbraw/zinc/51/53/69/550515369.db2.gz YPCKRPSWPIBSBV-UHFFFAOYSA-N 1 1 355.410 2.096 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000494711959 561474906 /nfs/dbraw/zinc/47/49/06/561474906.db2.gz UFGIWXZHGZHAQK-UHFFFAOYSA-N 1 1 372.381 2.356 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000277251399 550648018 /nfs/dbraw/zinc/64/80/18/550648018.db2.gz ZLQSUGHYNLVHGS-OKILXGFUSA-N 1 1 365.430 2.223 20 5 FEBDMO COc1cc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc([N+](=O)[O-])c1C ZINC000277567313 550685692 /nfs/dbraw/zinc/68/56/92/550685692.db2.gz NREQPOFVJQVFKS-CYBMUJFWSA-N 1 1 365.430 2.143 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277733770 550707988 /nfs/dbraw/zinc/70/79/88/550707988.db2.gz OHJFJZVUQFIQLR-OLZOCXBDSA-N 1 1 374.445 2.391 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000277839125 550720230 /nfs/dbraw/zinc/72/02/30/550720230.db2.gz RWKPZELSAREFQX-AWEZNQCLSA-N 1 1 372.385 2.166 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277946037 550732114 /nfs/dbraw/zinc/73/21/14/550732114.db2.gz CJUHPAQQYPDDCC-ZDUSSCGKSA-N 1 1 374.445 2.248 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000278572159 550800525 /nfs/dbraw/zinc/80/05/25/550800525.db2.gz NRIQKUJPFPTCGI-ZIAGYGMSSA-N 1 1 350.419 2.130 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278816125 550825106 /nfs/dbraw/zinc/82/51/06/550825106.db2.gz YYCLHMBQQCAMQF-OCCSQVGLSA-N 1 1 372.429 2.239 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C[N@H+]1C1CC1 ZINC000279367796 550882172 /nfs/dbraw/zinc/88/21/72/550882172.db2.gz GQNPVIXWTSRQPC-WDEREUQCSA-N 1 1 350.394 2.155 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280355832 550984385 /nfs/dbraw/zinc/98/43/85/550984385.db2.gz IQCCWISXGGJESP-KDOFPFPSSA-N 1 1 363.414 2.112 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000281162508 551069624 /nfs/dbraw/zinc/06/96/24/551069624.db2.gz PVVAQBATKVNGRD-HWPZZCPQSA-N 1 1 368.821 2.033 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000281162508 551069626 /nfs/dbraw/zinc/06/96/26/551069626.db2.gz PVVAQBATKVNGRD-HWPZZCPQSA-N 1 1 368.821 2.033 20 5 FEBDMO COc1ccc(NC(=O)CCN(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281202122 551073576 /nfs/dbraw/zinc/07/35/76/551073576.db2.gz COFVDBMDEGYXHY-UHFFFAOYSA-N 1 1 364.446 2.350 20 5 FEBDMO C[NH+](C)Cc1cc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)ccc1Cl ZINC000281494421 551104799 /nfs/dbraw/zinc/10/47/99/551104799.db2.gz HKZJGBRUQQIGKU-UHFFFAOYSA-N 1 1 364.789 2.110 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000281714499 551133855 /nfs/dbraw/zinc/13/38/55/551133855.db2.gz IAZVDNTXQSMAAG-UHFFFAOYSA-N 1 1 368.865 2.312 20 5 FEBDMO CCCNC(=O)C[N@@H+](CCC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000282662411 551256994 /nfs/dbraw/zinc/25/69/94/551256994.db2.gz LZYANWGFRHFKMH-UHFFFAOYSA-N 1 1 350.419 2.162 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C2(CCCCC2)C1 ZINC000284050863 551475002 /nfs/dbraw/zinc/47/50/02/551475002.db2.gz QJHJHMNPMDWMNM-UHFFFAOYSA-N 1 1 350.394 2.407 20 5 FEBDMO Cc1noc([C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C2CCOCC2)n1 ZINC000498361707 561523237 /nfs/dbraw/zinc/52/32/37/561523237.db2.gz BZOMVIWQTHBLDV-MRXNPFEDSA-N 1 1 362.386 2.423 20 5 FEBDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284903326 551663656 /nfs/dbraw/zinc/66/36/56/551663656.db2.gz UYLBHQJUWYOKSW-CYBMUJFWSA-N 1 1 350.375 2.384 20 5 FEBDMO CC[N@@H+](C)CCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000498750719 561533730 /nfs/dbraw/zinc/53/37/30/561533730.db2.gz DIUGRBFLRQKFPR-UHFFFAOYSA-N 1 1 362.352 2.484 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286031211 551840529 /nfs/dbraw/zinc/84/05/29/551840529.db2.gz QJMKXHIBTZHMAV-QYZOEREBSA-N 1 1 369.421 2.261 20 5 FEBDMO CC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000286471559 551889605 /nfs/dbraw/zinc/88/96/05/551889605.db2.gz UFNNULWABXCPCU-MQVJKMGUSA-N 1 1 374.441 2.293 20 5 FEBDMO CC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000286471559 551889607 /nfs/dbraw/zinc/88/96/07/551889607.db2.gz UFNNULWABXCPCU-MQVJKMGUSA-N 1 1 374.441 2.293 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000287752617 552042299 /nfs/dbraw/zinc/04/22/99/552042299.db2.gz TWFGQWZYWSIEOT-KFWWJZLASA-N 1 1 364.446 2.061 20 5 FEBDMO COCCOCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000289087077 552264007 /nfs/dbraw/zinc/26/40/07/552264007.db2.gz UCTKQYODVJPJPO-LLVKDONJSA-N 1 1 359.810 2.170 20 5 FEBDMO COCCOCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000289087077 552264008 /nfs/dbraw/zinc/26/40/08/552264008.db2.gz UCTKQYODVJPJPO-LLVKDONJSA-N 1 1 359.810 2.170 20 5 FEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000289699923 552363873 /nfs/dbraw/zinc/36/38/73/552363873.db2.gz OGNZFTXQZQZBCK-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000289699923 552363876 /nfs/dbraw/zinc/36/38/76/552363876.db2.gz OGNZFTXQZQZBCK-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000290398384 552473323 /nfs/dbraw/zinc/47/33/23/552473323.db2.gz MZADKRZIWZTGGK-LLVKDONJSA-N 1 1 370.837 2.423 20 5 FEBDMO C[NH+](C)[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC000290536742 552494278 /nfs/dbraw/zinc/49/42/78/552494278.db2.gz OUSPSFNLTKCMTM-CYBMUJFWSA-N 1 1 363.805 2.457 20 5 FEBDMO NC(=O)c1ccnc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000290720258 552525971 /nfs/dbraw/zinc/52/59/71/552525971.db2.gz YSFDGVUVUWHYDT-CQSZACIVSA-N 1 1 355.398 2.165 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000290892008 552557064 /nfs/dbraw/zinc/55/70/64/552557064.db2.gz UYWFBSGEBXCERG-HNNXBMFYSA-N 1 1 362.430 2.086 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000292644885 552745926 /nfs/dbraw/zinc/74/59/26/552745926.db2.gz HPGLPLVMWGZFQM-MRXNPFEDSA-N 1 1 363.414 2.311 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000292718144 552752499 /nfs/dbraw/zinc/75/24/99/552752499.db2.gz FOCOJGZFCWMILF-OAHLLOKOSA-N 1 1 373.862 2.355 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292805583 552760063 /nfs/dbraw/zinc/76/00/63/552760063.db2.gz MRGCSJIZCLKUQN-KRWDZBQOSA-N 1 1 367.471 2.318 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000501622852 561602291 /nfs/dbraw/zinc/60/22/91/561602291.db2.gz VFGHXQOLMGOJCA-QWHCGFSZSA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1n[nH]c(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000501622852 561602292 /nfs/dbraw/zinc/60/22/92/561602292.db2.gz VFGHXQOLMGOJCA-QWHCGFSZSA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000501622852 561602293 /nfs/dbraw/zinc/60/22/93/561602293.db2.gz VFGHXQOLMGOJCA-QWHCGFSZSA-N 1 1 357.414 2.361 20 5 FEBDMO Cc1[nH]nc(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000501622852 561602294 /nfs/dbraw/zinc/60/22/94/561602294.db2.gz VFGHXQOLMGOJCA-QWHCGFSZSA-N 1 1 357.414 2.361 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C2)C1 ZINC000294130982 552884427 /nfs/dbraw/zinc/88/44/27/552884427.db2.gz MHVNCVBMAPFMKY-IBGZPJMESA-N 1 1 369.425 2.338 20 5 FEBDMO COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000501825889 561606191 /nfs/dbraw/zinc/60/61/91/561606191.db2.gz LBXUJEVNPGXTAX-INIZCTEOSA-N 1 1 374.393 2.253 20 5 FEBDMO COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000501825889 561606192 /nfs/dbraw/zinc/60/61/92/561606192.db2.gz LBXUJEVNPGXTAX-INIZCTEOSA-N 1 1 374.393 2.253 20 5 FEBDMO COC(=O)Cc1ccc(NCCC[N@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000295091053 552958346 /nfs/dbraw/zinc/95/83/46/552958346.db2.gz SFPVRVCBYVKSDQ-CQSZACIVSA-N 1 1 365.430 2.223 20 5 FEBDMO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298175561 553394014 /nfs/dbraw/zinc/39/40/14/553394014.db2.gz UXNXZGRJZQKOSW-UHFFFAOYSA-N 1 1 369.425 2.449 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000298342907 553414524 /nfs/dbraw/zinc/41/45/24/553414524.db2.gz MBGLPADYHJDCCE-AWEZNQCLSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000298384304 553419035 /nfs/dbraw/zinc/41/90/35/553419035.db2.gz FCQZFRAZKCKNAI-KRWDZBQOSA-N 1 1 363.462 2.297 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000299446041 553564122 /nfs/dbraw/zinc/56/41/22/553564122.db2.gz YQRAISKGNCPDOZ-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO CNS(=O)(=O)c1ccc(N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301069928 553618883 /nfs/dbraw/zinc/61/88/83/553618883.db2.gz FHEOGOUHEBVLSS-STQMWFEESA-N 1 1 370.475 2.035 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000301288950 553639651 /nfs/dbraw/zinc/63/96/51/553639651.db2.gz MWEQLYWUDZYNNE-CQSZACIVSA-N 1 1 371.441 2.337 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000302169206 553708095 /nfs/dbraw/zinc/70/80/95/553708095.db2.gz LDXXHOBATSCCNY-BLLLJJGKSA-N 1 1 355.398 2.021 20 5 FEBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302204317 553710524 /nfs/dbraw/zinc/71/05/24/553710524.db2.gz CJZRNIGAJYYSTQ-IAGOWNOFSA-N 1 1 357.414 2.476 20 5 FEBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302204317 553710530 /nfs/dbraw/zinc/71/05/30/553710530.db2.gz CJZRNIGAJYYSTQ-IAGOWNOFSA-N 1 1 357.414 2.476 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2nc3sccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000302557120 553721381 /nfs/dbraw/zinc/72/13/81/553721381.db2.gz YMFOVTCYSICUNF-FRRDWIJNSA-N 1 1 365.459 2.382 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2c2nc3sccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000302557120 553721382 /nfs/dbraw/zinc/72/13/82/553721382.db2.gz YMFOVTCYSICUNF-FRRDWIJNSA-N 1 1 365.459 2.382 20 5 FEBDMO CCCC[NH+]1CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000326515921 553781135 /nfs/dbraw/zinc/78/11/35/553781135.db2.gz CJJHIAFGJQPCFQ-UHFFFAOYSA-N 1 1 359.423 2.277 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000330433054 554121100 /nfs/dbraw/zinc/12/11/00/554121100.db2.gz KRIOVOYZAWEKKU-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO O=C1COc2ccc(C[N@@H+]3CC[C@@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2N1 ZINC000508677488 561769429 /nfs/dbraw/zinc/76/94/29/561769429.db2.gz HLUMVXHDVYJYSE-CYBMUJFWSA-N 1 1 369.381 2.007 20 5 FEBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)[C@H]2C1 ZINC000331507973 554276573 /nfs/dbraw/zinc/27/65/73/554276573.db2.gz BCFLTORZSMSAGR-IXDOHACOSA-N 1 1 363.414 2.192 20 5 FEBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1Br ZINC000331589179 554290164 /nfs/dbraw/zinc/29/01/64/554290164.db2.gz XQFZYQFGFYIYDU-VIFPVBQESA-N 1 1 354.204 2.324 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000332247161 554408992 /nfs/dbraw/zinc/40/89/92/554408992.db2.gz XDOVDDFLVDTECH-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(C)cc1[N+](=O)[O-] ZINC000332589459 554477704 /nfs/dbraw/zinc/47/77/04/554477704.db2.gz MSORCXGCRCYEBT-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611702481 554668747 /nfs/dbraw/zinc/66/87/47/554668747.db2.gz UGHJRFRQQDTYOP-AWEZNQCLSA-N 1 1 358.446 2.224 20 5 FEBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000511069874 561855671 /nfs/dbraw/zinc/85/56/71/561855671.db2.gz RGARDRUMFZWDLV-ZDUSSCGKSA-N 1 1 362.430 2.010 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)c1 ZINC000511101088 561856989 /nfs/dbraw/zinc/85/69/89/561856989.db2.gz LJDDINQUBOLCJL-LBPRGKRZSA-N 1 1 353.444 2.157 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000360521325 554878128 /nfs/dbraw/zinc/87/81/28/554878128.db2.gz BMUPIPUFZJEEFB-INIZCTEOSA-N 1 1 369.425 2.335 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000511425430 561868895 /nfs/dbraw/zinc/86/88/95/561868895.db2.gz LYBOXVXKLCKFOQ-ZFWWWQNUSA-N 1 1 357.414 2.202 20 5 FEBDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000360735689 554887943 /nfs/dbraw/zinc/88/79/43/554887943.db2.gz DGGZDEPMWIRPOR-UHFFFAOYSA-N 1 1 367.321 2.465 20 5 FEBDMO Cc1cc(C2=CC[N@@H+]([C@H](C)CN3CCOCC3)CC2)cc([N+](=O)[O-])c1N ZINC000362002943 554943296 /nfs/dbraw/zinc/94/32/96/554943296.db2.gz KGPMQJYIOYAZNU-OAHLLOKOSA-N 1 1 360.458 2.295 20 5 FEBDMO CC1(CN2CCOCC2)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000362305373 554962022 /nfs/dbraw/zinc/96/20/22/554962022.db2.gz KTMNGJJOZFJWCR-GOSISDBHSA-N 1 1 363.458 2.063 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000363093116 555028841 /nfs/dbraw/zinc/02/88/41/555028841.db2.gz BUBRPLMURAVUOD-INIZCTEOSA-N 1 1 360.414 2.350 20 5 FEBDMO COc1ccc(CSCC(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000512117206 561892916 /nfs/dbraw/zinc/89/29/16/561892916.db2.gz RVSQMCWSVUCMTL-OLZOCXBDSA-N 1 1 367.471 2.388 20 5 FEBDMO COc1ccc(CSCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000512117206 561892917 /nfs/dbraw/zinc/89/29/17/561892917.db2.gz RVSQMCWSVUCMTL-OLZOCXBDSA-N 1 1 367.471 2.388 20 5 FEBDMO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000364341604 555294908 /nfs/dbraw/zinc/29/49/08/555294908.db2.gz UKMCXWHZFHGRDF-GJZGRUSLSA-N 1 1 351.451 2.462 20 5 FEBDMO CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000364341604 555294910 /nfs/dbraw/zinc/29/49/10/555294910.db2.gz UKMCXWHZFHGRDF-GJZGRUSLSA-N 1 1 351.451 2.462 20 5 FEBDMO O=[N+]([O-])c1ccc(NC[C@@]2([NH+]3CCOCC3)CCCOC2)c2ccncc21 ZINC000364439928 555314429 /nfs/dbraw/zinc/31/44/29/555314429.db2.gz YFCOSJOOWHQGTN-IBGZPJMESA-N 1 1 372.425 2.436 20 5 FEBDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451232 555316728 /nfs/dbraw/zinc/31/67/28/555316728.db2.gz XMDLDGNAIYCKNU-HKUYNNGSSA-N 1 1 353.378 2.224 20 5 FEBDMO CN(C(=O)C[N@@H+]1CCCC[C@@H]1Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000364742840 555391868 /nfs/dbraw/zinc/39/18/68/555391868.db2.gz MWAPLUOIWDBSGI-QGZVFWFLSA-N 1 1 357.414 2.309 20 5 FEBDMO CN(C(=O)C[N@H+]1CCCC[C@@H]1Cn1cccn1)c1ccc([N+](=O)[O-])cc1 ZINC000364742840 555391869 /nfs/dbraw/zinc/39/18/69/555391869.db2.gz MWAPLUOIWDBSGI-QGZVFWFLSA-N 1 1 357.414 2.309 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@H]1c1cccs1 ZINC000364965463 555452228 /nfs/dbraw/zinc/45/22/28/555452228.db2.gz UBDFUXHIWAKBKA-YGRLFVJLSA-N 1 1 361.427 2.056 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CC[C@H](COC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000512816049 561916694 /nfs/dbraw/zinc/91/66/94/561916694.db2.gz FKTAXQRNEAYRRZ-FZMZJTMJSA-N 1 1 355.341 2.261 20 5 FEBDMO O=C1[C@@H]([N@H+]2CC[C@H](COC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000512816049 561916695 /nfs/dbraw/zinc/91/66/95/561916695.db2.gz FKTAXQRNEAYRRZ-FZMZJTMJSA-N 1 1 355.341 2.261 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3ccncn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365163737 555499450 /nfs/dbraw/zinc/49/94/50/555499450.db2.gz RJYSLABDEVPJNG-KDOFPFPSSA-N 1 1 367.409 2.370 20 5 FEBDMO O=C1[C@@H]([N@H+]2CCC[C@@H](c3ccncn3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000365163737 555499453 /nfs/dbraw/zinc/49/94/53/555499453.db2.gz RJYSLABDEVPJNG-KDOFPFPSSA-N 1 1 367.409 2.370 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000365410850 555568216 /nfs/dbraw/zinc/56/82/16/555568216.db2.gz GNEAWNURUHQMHK-UHFFFAOYSA-N 1 1 350.419 2.479 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000365427272 555572627 /nfs/dbraw/zinc/57/26/27/555572627.db2.gz ZAKSVXKTOMERRV-HIFRSBDPSA-N 1 1 365.434 2.123 20 5 FEBDMO Cc1cnc([C@H]2CCCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000366628772 555894543 /nfs/dbraw/zinc/89/45/43/555894543.db2.gz IDEJDNSRCQGRQC-UONOGXRCSA-N 1 1 351.432 2.144 20 5 FEBDMO Cc1cnc([C@H]2CCCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000366628772 555894546 /nfs/dbraw/zinc/89/45/46/555894546.db2.gz IDEJDNSRCQGRQC-UONOGXRCSA-N 1 1 351.432 2.144 20 5 FEBDMO O=C([C@@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1)N1CCCC1 ZINC000367847105 556153634 /nfs/dbraw/zinc/15/36/34/556153634.db2.gz HBHQUJWNHRPKOE-CQSZACIVSA-N 1 1 371.397 2.089 20 5 FEBDMO O=C([C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1)N1CCCC1 ZINC000367847105 556153636 /nfs/dbraw/zinc/15/36/36/556153636.db2.gz HBHQUJWNHRPKOE-CQSZACIVSA-N 1 1 371.397 2.089 20 5 FEBDMO Cc1cc([C@H]2CCC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664828 556378816 /nfs/dbraw/zinc/37/88/16/556378816.db2.gz YUEZPSIPGNXHGQ-HOCLYGCPSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@H]2CCC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664828 556378818 /nfs/dbraw/zinc/37/88/18/556378818.db2.gz YUEZPSIPGNXHGQ-HOCLYGCPSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@H]2CCC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664828 556378820 /nfs/dbraw/zinc/37/88/20/556378820.db2.gz YUEZPSIPGNXHGQ-HOCLYGCPSA-N 1 1 360.414 2.246 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000368664936 556379584 /nfs/dbraw/zinc/37/95/84/556379584.db2.gz ZKXVPXUQLQVDLE-JEBQAFNWSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000368664936 556379586 /nfs/dbraw/zinc/37/95/86/556379586.db2.gz ZKXVPXUQLQVDLE-JEBQAFNWSA-N 1 1 374.441 2.397 20 5 FEBDMO C[C@@H](C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCSCC1 ZINC000515721010 562020379 /nfs/dbraw/zinc/02/03/79/562020379.db2.gz WJAPUWPBNKHVMS-LBPRGKRZSA-N 1 1 362.455 2.172 20 5 FEBDMO Cc1ncc(C[N@@H+]2CC[C@H](NCc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976182 556465681 /nfs/dbraw/zinc/46/56/81/556465681.db2.gz UNUVHMLSRLBAAC-RISCZKNCSA-N 1 1 364.475 2.093 20 5 FEBDMO Cc1ncc(C[N@H+]2CC[C@H](NCc3c([N+](=O)[O-])ncn3C)[C@H](C)C2)s1 ZINC000368976182 556465682 /nfs/dbraw/zinc/46/56/82/556465682.db2.gz UNUVHMLSRLBAAC-RISCZKNCSA-N 1 1 364.475 2.093 20 5 FEBDMO Cc1ncc(C[N@@H+]2CC[C@@H](NCc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976183 556465722 /nfs/dbraw/zinc/46/57/22/556465722.db2.gz UNUVHMLSRLBAAC-SMDDNHRTSA-N 1 1 364.475 2.093 20 5 FEBDMO Cc1ncc(C[N@H+]2CC[C@@H](NCc3c([N+](=O)[O-])ncn3C)[C@@H](C)C2)s1 ZINC000368976183 556465724 /nfs/dbraw/zinc/46/57/24/556465724.db2.gz UNUVHMLSRLBAAC-SMDDNHRTSA-N 1 1 364.475 2.093 20 5 FEBDMO CCCN1CC[NH+](C2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000369156089 556519312 /nfs/dbraw/zinc/51/93/12/556519312.db2.gz GBQZHQLZSVHTQJ-UHFFFAOYSA-N 1 1 374.485 2.156 20 5 FEBDMO CCCN1CC[NH+](C2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000369157442 556520259 /nfs/dbraw/zinc/52/02/59/556520259.db2.gz NGGUBEDMAHFNQJ-UHFFFAOYSA-N 1 1 374.485 2.156 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253984 556551100 /nfs/dbraw/zinc/55/11/00/556551100.db2.gz JCDBRTFJTNFUMQ-GFCCVEGCSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000369253984 556551105 /nfs/dbraw/zinc/55/11/05/556551105.db2.gz JCDBRTFJTNFUMQ-GFCCVEGCSA-N 1 1 366.849 2.147 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000369379604 556585443 /nfs/dbraw/zinc/58/54/43/556585443.db2.gz NBSATQQFVJLSLV-OAHLLOKOSA-N 1 1 372.429 2.378 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369657440 556660869 /nfs/dbraw/zinc/66/08/69/556660869.db2.gz BKOXKSQXZGNLGR-UAGQMJEPSA-N 1 1 374.441 2.229 20 5 FEBDMO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975609 556746295 /nfs/dbraw/zinc/74/62/95/556746295.db2.gz SQTPOLPPNNUIFZ-NVXWUHKLSA-N 1 1 360.414 2.177 20 5 FEBDMO Nc1c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000370156960 556796330 /nfs/dbraw/zinc/79/63/30/556796330.db2.gz VGGRSNVWBJLFJR-OAHLLOKOSA-N 1 1 369.425 2.214 20 5 FEBDMO COCCC[N@H+]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000370539602 556903327 /nfs/dbraw/zinc/90/33/27/556903327.db2.gz MOVIKVWRSHFRAX-UHFFFAOYSA-N 1 1 373.251 2.301 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC000516895790 562063131 /nfs/dbraw/zinc/06/31/31/562063131.db2.gz OJNDUIBAGBYRNB-AWEZNQCLSA-N 1 1 355.460 2.262 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000370726030 556950410 /nfs/dbraw/zinc/95/04/10/556950410.db2.gz XUOPILQHGWPAIX-UHFFFAOYSA-N 1 1 351.428 2.101 20 5 FEBDMO C[C@H]1CC[C@@H]([N@@H+](CCO)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000516998280 562070202 /nfs/dbraw/zinc/07/02/02/562070202.db2.gz SEQUFFHCVZBLCZ-UONOGXRCSA-N 1 1 363.414 2.376 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000370993825 557039637 /nfs/dbraw/zinc/03/96/37/557039637.db2.gz WZEMOWQBRLSMFU-PIIMJCKOSA-N 1 1 352.394 2.158 20 5 FEBDMO CN1CCC[C@@]2(CC[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C2)C1=O ZINC000372547050 557499954 /nfs/dbraw/zinc/49/99/54/557499954.db2.gz MDUFNABKXLKSPA-SFHVURJKSA-N 1 1 371.397 2.089 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000373289331 557665987 /nfs/dbraw/zinc/66/59/87/557665987.db2.gz QDXGEVMMCODEON-IAQYHMDHSA-N 1 1 361.427 2.288 20 5 FEBDMO Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581221 557722275 /nfs/dbraw/zinc/72/22/75/557722275.db2.gz DVBRGBZVKHTSIF-SJLPKXTDSA-N 1 1 374.441 2.485 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000373765135 557753994 /nfs/dbraw/zinc/75/39/94/557753994.db2.gz GWTRQVBAAYTVCB-INIZCTEOSA-N 1 1 357.414 2.494 20 5 FEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@]2(CCCOC2)O1 ZINC000373809056 557763618 /nfs/dbraw/zinc/76/36/18/557763618.db2.gz HQOHMUWKKAMYSF-KSSFIOAISA-N 1 1 363.414 2.193 20 5 FEBDMO CC(C)(C)c1ccc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000520552784 562158903 /nfs/dbraw/zinc/15/89/03/562158903.db2.gz VEEOPSLPQQBRIM-UHFFFAOYSA-N 1 1 374.441 2.209 20 5 FEBDMO CC(C)(C)c1ccc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000520552784 562158904 /nfs/dbraw/zinc/15/89/04/562158904.db2.gz VEEOPSLPQQBRIM-UHFFFAOYSA-N 1 1 374.441 2.209 20 5 FEBDMO CC[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000374163375 557834798 /nfs/dbraw/zinc/83/47/98/557834798.db2.gz SYLJKMFVBCAEAG-ZZGCUDHESA-N 1 1 359.426 2.177 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374520287 557894310 /nfs/dbraw/zinc/89/43/10/557894310.db2.gz MOIDRSHPGPQXCS-LBPRGKRZSA-N 1 1 361.402 2.432 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374520287 557894312 /nfs/dbraw/zinc/89/43/12/557894312.db2.gz MOIDRSHPGPQXCS-LBPRGKRZSA-N 1 1 361.402 2.432 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000374585913 557902756 /nfs/dbraw/zinc/90/27/56/557902756.db2.gz LMRQEVUGFCRAJB-IXKJSCDLSA-N 1 1 350.415 2.080 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374697141 557918037 /nfs/dbraw/zinc/91/80/37/557918037.db2.gz FINWOXIJMGUEIC-STQMWFEESA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374697141 557918038 /nfs/dbraw/zinc/91/80/38/557918038.db2.gz FINWOXIJMGUEIC-STQMWFEESA-N 1 1 351.403 2.431 20 5 FEBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000375375681 558017563 /nfs/dbraw/zinc/01/75/63/558017563.db2.gz FOGYWRICGKOBLN-UHFFFAOYSA-N 1 1 366.381 2.243 20 5 FEBDMO CCOc1cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000375430138 558025923 /nfs/dbraw/zinc/02/59/23/558025923.db2.gz WFZIAWLOHBYZPD-SJORKVTESA-N 1 1 363.458 2.415 20 5 FEBDMO CC(C)c1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1[N+](=O)[O-] ZINC000375533105 558044306 /nfs/dbraw/zinc/04/43/06/558044306.db2.gz BWNWADOEHJKFBM-WMZOPIPTSA-N 1 1 361.442 2.389 20 5 FEBDMO NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598428 558054729 /nfs/dbraw/zinc/05/47/29/558054729.db2.gz NGNDAQNEBNHWJF-XPKDYRNWSA-N 1 1 360.414 2.042 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000375828039 558085904 /nfs/dbraw/zinc/08/59/04/558085904.db2.gz ARNNNRVZXQKVMQ-MRXNPFEDSA-N 1 1 372.429 2.378 20 5 FEBDMO CN(C)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000375968310 558107093 /nfs/dbraw/zinc/10/70/93/558107093.db2.gz LKOQMEIWHHDCKW-CQSZACIVSA-N 1 1 357.414 2.399 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000521620314 562180575 /nfs/dbraw/zinc/18/05/75/562180575.db2.gz FYMBKNGRZMCUTL-LESCRADOSA-N 1 1 350.415 2.226 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128773 558130559 /nfs/dbraw/zinc/13/05/59/558130559.db2.gz HBZAUJDCEWQPKJ-RDTXWAMCSA-N 1 1 366.414 2.252 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c([N+](=O)[O-])c1 ZINC000376128773 558130560 /nfs/dbraw/zinc/13/05/60/558130560.db2.gz HBZAUJDCEWQPKJ-RDTXWAMCSA-N 1 1 366.414 2.252 20 5 FEBDMO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376325439 558158039 /nfs/dbraw/zinc/15/80/39/558158039.db2.gz QWKRYWZJLICPGU-XUWVNRHRSA-N 1 1 363.462 2.321 20 5 FEBDMO C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376325439 558158040 /nfs/dbraw/zinc/15/80/40/558158040.db2.gz QWKRYWZJLICPGU-XUWVNRHRSA-N 1 1 363.462 2.321 20 5 FEBDMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376325436 558158218 /nfs/dbraw/zinc/15/82/18/558158218.db2.gz QWKRYWZJLICPGU-QKPAOTATSA-N 1 1 363.462 2.321 20 5 FEBDMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000376325436 558158219 /nfs/dbraw/zinc/15/82/19/558158219.db2.gz QWKRYWZJLICPGU-QKPAOTATSA-N 1 1 363.462 2.321 20 5 FEBDMO Cc1cc([C@H]2CCCN(CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C2)[nH]n1 ZINC000376489687 558179915 /nfs/dbraw/zinc/17/99/15/558179915.db2.gz DRWGNKOISNZJFG-HNNXBMFYSA-N 1 1 369.425 2.395 20 5 FEBDMO COc1cc(CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)c([N+](=O)[O-])cc1OC ZINC000377622467 558378684 /nfs/dbraw/zinc/37/86/84/558378684.db2.gz CWAMLMGQGIGHBL-ZDUSSCGKSA-N 1 1 374.397 2.045 20 5 FEBDMO Cn1cc([C@@H]2[C@@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCC[N@H+]2C)cn1 ZINC000377693827 558399069 /nfs/dbraw/zinc/39/90/69/558399069.db2.gz CKWOITGVHFYSAO-DIFFPNOSSA-N 1 1 371.401 2.360 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])cc(F)c3F)CC2)CCO1 ZINC000377842220 558433271 /nfs/dbraw/zinc/43/32/71/558433271.db2.gz CDFOFQDCAMBVKC-LLVKDONJSA-N 1 1 369.368 2.198 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862797 558437292 /nfs/dbraw/zinc/43/72/92/558437292.db2.gz ZEDZJFPIJLSEGV-GHMZBOCLSA-N 1 1 354.794 2.233 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000523286015 562210509 /nfs/dbraw/zinc/21/05/09/562210509.db2.gz WHKFQBDHUHKONW-HNNXBMFYSA-N 1 1 351.451 2.035 20 5 FEBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1[N+](=O)[O-] ZINC000378365281 558539498 /nfs/dbraw/zinc/53/94/98/558539498.db2.gz IZIKZZBWMOVBEU-VNHYZAJKSA-N 1 1 351.451 2.192 20 5 FEBDMO CCc1nn(C)c(N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000378365278 558539978 /nfs/dbraw/zinc/53/99/78/558539978.db2.gz IZIKZZBWMOVBEU-GZBFAFLISA-N 1 1 351.451 2.192 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](O)c3ccccc3C2)c1 ZINC000378495750 558569677 /nfs/dbraw/zinc/56/96/77/558569677.db2.gz MLYHAZUWIMOACI-QFBILLFUSA-N 1 1 358.394 2.274 20 5 FEBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCC1 ZINC000395426120 558622821 /nfs/dbraw/zinc/62/28/21/558622821.db2.gz OGYGNZZOWDHBLA-UHFFFAOYSA-N 1 1 369.425 2.357 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000524775499 562234370 /nfs/dbraw/zinc/23/43/70/562234370.db2.gz YZQLFNOZFIZERV-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000411218532 558854992 /nfs/dbraw/zinc/85/49/92/558854992.db2.gz YTGYCBCRHWJQHP-CQSZACIVSA-N 1 1 374.441 2.283 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000411313146 558874688 /nfs/dbraw/zinc/87/46/88/558874688.db2.gz AADRBEYRJVFPAT-CZUORRHYSA-N 1 1 363.414 2.433 20 5 FEBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000525493429 562249366 /nfs/dbraw/zinc/24/93/66/562249366.db2.gz ZXUGQYBRRADAGL-LJQANCHMSA-N 1 1 370.409 2.353 20 5 FEBDMO COc1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525501284 562249453 /nfs/dbraw/zinc/24/94/53/562249453.db2.gz VQIBJVAKBQNQTK-JSGCOSHPSA-N 1 1 363.414 2.311 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000525678221 562251828 /nfs/dbraw/zinc/25/18/28/562251828.db2.gz UKJKLYZYKSCAQC-ZDUSSCGKSA-N 1 1 363.414 2.312 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411601730 558927149 /nfs/dbraw/zinc/92/71/49/558927149.db2.gz BBDQZWNYIGQTED-RWMBFGLXSA-N 1 1 351.403 2.430 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCc2c(cnn2C)C1 ZINC000411854419 558976562 /nfs/dbraw/zinc/97/65/62/558976562.db2.gz ORJDSGNRISQQBC-UHFFFAOYSA-N 1 1 357.414 2.414 20 5 FEBDMO COc1ccc(NC(=O)CCNC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000411866635 558978886 /nfs/dbraw/zinc/97/88/86/558978886.db2.gz ICGWHZUFNKAXGK-UHFFFAOYSA-N 1 1 364.446 2.396 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@](C(N)=O)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000411969245 558997066 /nfs/dbraw/zinc/99/70/66/558997066.db2.gz QEIWOGKKUZHEGV-IBGZPJMESA-N 1 1 355.394 2.232 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000411973294 558997909 /nfs/dbraw/zinc/99/79/09/558997909.db2.gz XBHQQUFLSKNPFJ-LJQANCHMSA-N 1 1 355.394 2.232 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412158602 559017485 /nfs/dbraw/zinc/01/74/85/559017485.db2.gz IBDYPVAFBTWPIX-OLZOCXBDSA-N 1 1 365.405 2.370 20 5 FEBDMO Cn1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)CC2)cn1 ZINC000413134528 559081450 /nfs/dbraw/zinc/08/14/50/559081450.db2.gz WIXWEJKJBZHGTQ-UHFFFAOYSA-N 1 1 352.398 2.199 20 5 FEBDMO CN(C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCOCC1 ZINC000414045889 559148774 /nfs/dbraw/zinc/14/87/74/559148774.db2.gz XUAUCEHCCDWIEO-DLBZAZTESA-N 1 1 361.442 2.268 20 5 FEBDMO COC(=O)[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[N@@H+](C)C1 ZINC000414480055 559167734 /nfs/dbraw/zinc/16/77/34/559167734.db2.gz ANHCQCSWALPADY-HNNXBMFYSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@H]1CN(C)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414480055 559167735 /nfs/dbraw/zinc/16/77/35/559167735.db2.gz ANHCQCSWALPADY-HNNXBMFYSA-N 1 1 373.409 2.391 20 5 FEBDMO COC(=O)[C@H]1CN(C)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414480055 559167736 /nfs/dbraw/zinc/16/77/36/559167736.db2.gz ANHCQCSWALPADY-HNNXBMFYSA-N 1 1 373.409 2.391 20 5 FEBDMO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416496990 559317787 /nfs/dbraw/zinc/31/77/87/559317787.db2.gz RRXIYNVXVGCVRR-QMMMGPOBSA-N 1 1 368.242 2.132 20 5 FEBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416496990 559317788 /nfs/dbraw/zinc/31/77/88/559317788.db2.gz RRXIYNVXVGCVRR-QMMMGPOBSA-N 1 1 368.242 2.132 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000416550680 559321171 /nfs/dbraw/zinc/32/11/71/559321171.db2.gz FXPXIUQKVDCNPZ-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO C[C@@H](NC(=O)N1CC[NH2+]C[C@H]1c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000417142647 559349860 /nfs/dbraw/zinc/34/98/60/559349860.db2.gz STKIZVXJANPBSX-DYVFJYSZSA-N 1 1 355.398 2.407 20 5 FEBDMO CCC[C@H]1CNCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420307825 559479518 /nfs/dbraw/zinc/47/95/18/559479518.db2.gz MTDYITPBODORNV-AWEZNQCLSA-N 1 1 350.419 2.006 20 5 FEBDMO CCC[C@H]1CNCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420307825 559479519 /nfs/dbraw/zinc/47/95/19/559479519.db2.gz MTDYITPBODORNV-AWEZNQCLSA-N 1 1 350.419 2.006 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000420761918 559503024 /nfs/dbraw/zinc/50/30/24/559503024.db2.gz HPBOPBCYXRGCDD-NSHDSACASA-N 1 1 361.851 2.271 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000420991857 559518099 /nfs/dbraw/zinc/51/80/99/559518099.db2.gz JUPNUUQYDFEUFK-CQSZACIVSA-N 1 1 363.414 2.311 20 5 FEBDMO O=[N+]([O-])c1ccc(OCc2ccc(C[NH+]3CCOCC3)cc2)cc1CO ZINC000421210072 559531156 /nfs/dbraw/zinc/53/11/56/559531156.db2.gz GQRHNDLPDVMRCE-UHFFFAOYSA-N 1 1 358.394 2.498 20 5 FEBDMO O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423963605 559648220 /nfs/dbraw/zinc/64/82/20/559648220.db2.gz GFZMIOGCGQYWII-GOSISDBHSA-N 1 1 367.409 2.351 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000424996251 559682817 /nfs/dbraw/zinc/68/28/17/559682817.db2.gz CZEITKHIYGLNTR-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000425007440 559683436 /nfs/dbraw/zinc/68/34/36/559683436.db2.gz ZODWKYVZNXYLHQ-UHFFFAOYSA-N 1 1 363.458 2.442 20 5 FEBDMO Cc1cc(OCC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000432118885 559852513 /nfs/dbraw/zinc/85/25/13/559852513.db2.gz YNQIZGPJHBGHJT-MRXNPFEDSA-N 1 1 361.442 2.472 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432326717 559856337 /nfs/dbraw/zinc/85/63/37/559856337.db2.gz CYQQFLWXWBHXTP-MRXNPFEDSA-N 1 1 372.425 2.320 20 5 FEBDMO Cc1ccc(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000432897765 559867466 /nfs/dbraw/zinc/86/74/66/559867466.db2.gz FQRYPWVADMMPAX-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO Cc1ccc(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000432897765 559867467 /nfs/dbraw/zinc/86/74/67/559867467.db2.gz FQRYPWVADMMPAX-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc([N+](=O)[O-])c1 ZINC000434422380 559900162 /nfs/dbraw/zinc/90/01/62/559900162.db2.gz AMLZFGZZOCFXMZ-OAHLLOKOSA-N 1 1 361.398 2.128 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@@H]1CCO ZINC000438651437 559981754 /nfs/dbraw/zinc/98/17/54/559981754.db2.gz JMJRPGXFZSULJD-AWEZNQCLSA-N 1 1 353.444 2.032 20 5 FEBDMO CCOC(=O)[C@@]1(COC)CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000439485413 559995567 /nfs/dbraw/zinc/99/55/67/559995567.db2.gz SLEGVPAWDZOXAX-SFHVURJKSA-N 1 1 366.414 2.265 20 5 FEBDMO Cc1nccnc1N1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000440522927 560013793 /nfs/dbraw/zinc/01/37/93/560013793.db2.gz XAOQFEBBOLKGIP-UHFFFAOYSA-N 1 1 357.414 2.284 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000441084618 560023199 /nfs/dbraw/zinc/02/31/99/560023199.db2.gz BSRUCXQOVZERTP-CHWSQXEVSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000441084618 560023200 /nfs/dbraw/zinc/02/32/00/560023200.db2.gz BSRUCXQOVZERTP-CHWSQXEVSA-N 1 1 362.430 2.091 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000443994805 560098753 /nfs/dbraw/zinc/09/87/53/560098753.db2.gz TTXFFMGNODGDBJ-UHFFFAOYSA-N 1 1 369.487 2.179 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000446082310 560139667 /nfs/dbraw/zinc/13/96/67/560139667.db2.gz QHLYQDONGCLOEY-ZDUSSCGKSA-N 1 1 355.822 2.397 20 5 FEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000446735985 560150901 /nfs/dbraw/zinc/15/09/01/560150901.db2.gz MQUNTSANVJWUAV-INIZCTEOSA-N 1 1 372.377 2.122 20 5 FEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccc3c(c1)OCO3)CC2 ZINC000446735985 560150902 /nfs/dbraw/zinc/15/09/02/560150902.db2.gz MQUNTSANVJWUAV-INIZCTEOSA-N 1 1 372.377 2.122 20 5 FEBDMO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000449464776 560231032 /nfs/dbraw/zinc/23/10/32/560231032.db2.gz ZIRXWYFGFNIXLP-DJIMGWMZSA-N 1 1 360.414 2.059 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449493642 560231778 /nfs/dbraw/zinc/23/17/78/560231778.db2.gz FHCWCCFEZFNBHG-IUODEOHRSA-N 1 1 352.387 2.003 20 5 FEBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]12 ZINC000449518488 560232417 /nfs/dbraw/zinc/23/24/17/560232417.db2.gz AGRBIEHXUJNIDD-OKILXGFUSA-N 1 1 357.391 2.028 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000450503966 560264265 /nfs/dbraw/zinc/26/42/65/560264265.db2.gz YSOUXNWMFGBZKO-UHFFFAOYSA-N 1 1 373.457 2.011 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414362 560305648 /nfs/dbraw/zinc/30/56/48/560305648.db2.gz IFHCCORKGVCBRO-NXHRZFHOSA-N 1 1 359.426 2.109 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000451425454 560306153 /nfs/dbraw/zinc/30/61/53/560306153.db2.gz UEQHCHLXWXRCJS-FRFSOERESA-N 1 1 363.414 2.167 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000451694439 560322386 /nfs/dbraw/zinc/32/23/86/560322386.db2.gz KZMIHBVOUJUZFC-HZSPNIEDSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000451694439 560322387 /nfs/dbraw/zinc/32/23/87/560322387.db2.gz KZMIHBVOUJUZFC-HZSPNIEDSA-N 1 1 363.414 2.025 20 5 FEBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451862954 560333157 /nfs/dbraw/zinc/33/31/57/560333157.db2.gz YKYVMRHFJMQBCB-SJORKVTESA-N 1 1 359.426 2.373 20 5 FEBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451862954 560333158 /nfs/dbraw/zinc/33/31/58/560333158.db2.gz YKYVMRHFJMQBCB-SJORKVTESA-N 1 1 359.426 2.373 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000451902930 560335947 /nfs/dbraw/zinc/33/59/47/560335947.db2.gz IOECPUIPBIQTDV-YGRLFVJLSA-N 1 1 364.320 2.227 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451904434 560336223 /nfs/dbraw/zinc/33/62/23/560336223.db2.gz QTBNCUATUKPAHI-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000451924747 560337861 /nfs/dbraw/zinc/33/78/61/560337861.db2.gz DWKZTSBZUSEDIT-ZETCQYMHSA-N 1 1 356.231 2.130 20 5 FEBDMO COc1ccc(N2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)nc1 ZINC000452062413 560349035 /nfs/dbraw/zinc/34/90/35/560349035.db2.gz YJFVGYINHDXIKU-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000452106686 560351731 /nfs/dbraw/zinc/35/17/31/560351731.db2.gz QVQODSKJVVVQGF-AWEZNQCLSA-N 1 1 355.460 2.315 20 5 FEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000457128055 560551459 /nfs/dbraw/zinc/55/14/59/560551459.db2.gz RVXPMQZDOSUVAH-ZDUSSCGKSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000457905598 560593368 /nfs/dbraw/zinc/59/33/68/560593368.db2.gz URYCPRLLPFDNOO-CYBMUJFWSA-N 1 1 350.419 2.135 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459668759 560701021 /nfs/dbraw/zinc/70/10/21/560701021.db2.gz TWOMDLHEYRFUQK-ZDUSSCGKSA-N 1 1 362.352 2.472 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000464555151 560845385 /nfs/dbraw/zinc/84/53/85/560845385.db2.gz OFEJDZITCZESEH-ZDUSSCGKSA-N 1 1 365.430 2.416 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000467072579 560902903 /nfs/dbraw/zinc/90/29/03/560902903.db2.gz BQNLHEJMNZJMSJ-PWSUYJOCSA-N 1 1 361.489 2.458 20 5 FEBDMO CC[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1 ZINC000470129807 560974921 /nfs/dbraw/zinc/97/49/21/560974921.db2.gz AOIFOWRIDSHVPE-MLGOLLRUSA-N 1 1 366.393 2.308 20 5 FEBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ncc[nH]1 ZINC000471073305 560997696 /nfs/dbraw/zinc/99/76/96/560997696.db2.gz VZYHSJZWLZEEPJ-MRXNPFEDSA-N 1 1 372.429 2.025 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000471170104 560999640 /nfs/dbraw/zinc/99/96/40/560999640.db2.gz SSEMKUIAVIZWRU-ZDUSSCGKSA-N 1 1 371.397 2.496 20 5 FEBDMO Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000472240878 561021676 /nfs/dbraw/zinc/02/16/76/561021676.db2.gz LYKVAGFMSCQPHO-QGZVFWFLSA-N 1 1 358.377 2.385 20 5 FEBDMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000472240878 561021677 /nfs/dbraw/zinc/02/16/77/561021677.db2.gz LYKVAGFMSCQPHO-QGZVFWFLSA-N 1 1 358.377 2.385 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](CO)c1ccsc1 ZINC000473158406 561042932 /nfs/dbraw/zinc/04/29/32/561042932.db2.gz DRWOBBFYRWZEIA-QMTHXVAHSA-N 1 1 365.411 2.315 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000475097280 561090326 /nfs/dbraw/zinc/09/03/26/561090326.db2.gz YUKSSYMNGBJKGQ-HOCLYGCPSA-N 1 1 366.414 2.130 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]2CSC)cc1[N+](=O)[O-] ZINC000475697617 561102566 /nfs/dbraw/zinc/10/25/66/561102566.db2.gz HCJCVYDBGGRQDX-CYBMUJFWSA-N 1 1 354.428 2.474 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000476387285 561118177 /nfs/dbraw/zinc/11/81/77/561118177.db2.gz SDBQVSLBGJVTCZ-MQVJKMGUSA-N 1 1 369.425 2.254 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000476647670 561125185 /nfs/dbraw/zinc/12/51/85/561125185.db2.gz JWSOHMGFAMBVAB-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000476647670 561125186 /nfs/dbraw/zinc/12/51/86/561125186.db2.gz JWSOHMGFAMBVAB-OAHLLOKOSA-N 1 1 357.414 2.065 20 5 FEBDMO O=C(N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000532175625 562469957 /nfs/dbraw/zinc/46/99/57/562469957.db2.gz GUKSURNGBODQSP-ZWKOTPCHSA-N 1 1 372.425 2.449 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000533309682 562504945 /nfs/dbraw/zinc/50/49/45/562504945.db2.gz VAFIFZSWMLAAOI-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000533866401 562520096 /nfs/dbraw/zinc/52/00/96/562520096.db2.gz DMVBHWIZNYIMKD-CYBMUJFWSA-N 1 1 354.370 2.368 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000533866800 562520162 /nfs/dbraw/zinc/52/01/62/562520162.db2.gz MSQAWPIIPKYAJG-ZDUSSCGKSA-N 1 1 373.413 2.155 20 5 FEBDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000535313878 562555822 /nfs/dbraw/zinc/55/58/22/562555822.db2.gz PCHKQQLJBDKHPT-ZDUSSCGKSA-N 1 1 354.370 2.368 20 5 FEBDMO Cn1cc(C[N@H+]2CCSC[C@H]2CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000535825621 562568919 /nfs/dbraw/zinc/56/89/19/562568919.db2.gz INQIFTPNUOSYIQ-MRXNPFEDSA-N 1 1 362.455 2.295 20 5 FEBDMO CN1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)c2ccc[nH+]c21 ZINC000540865909 562594751 /nfs/dbraw/zinc/59/47/51/562594751.db2.gz ROXXNLGDGFAYJI-UHFFFAOYSA-N 1 1 369.381 2.244 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000540910608 562596723 /nfs/dbraw/zinc/59/67/23/562596723.db2.gz MCQLVMCTRLFIKC-AWEZNQCLSA-N 1 1 355.350 2.240 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000540910608 562596724 /nfs/dbraw/zinc/59/67/24/562596724.db2.gz MCQLVMCTRLFIKC-AWEZNQCLSA-N 1 1 355.350 2.240 20 5 FEBDMO COC(=O)c1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000568823098 568229827 /nfs/dbraw/zinc/22/98/27/568229827.db2.gz CKUPEBQKLMYDRH-LBPRGKRZSA-N 1 1 364.402 2.153 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000569109337 568277690 /nfs/dbraw/zinc/27/76/90/568277690.db2.gz ZKDXULBLDAFNPG-DVNIYVAHSA-N 1 1 357.414 2.419 20 5 FEBDMO CO[C@@H](C)c1nc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000569448491 568402751 /nfs/dbraw/zinc/40/27/51/568402751.db2.gz BYMNWGLVQXMSQW-SMDDNHRTSA-N 1 1 367.427 2.288 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@H]2C(F)F)cc1SC ZINC000569595080 568409016 /nfs/dbraw/zinc/40/90/16/568409016.db2.gz IYKICSULYNOUOJ-JTQLQIEISA-N 1 1 361.370 2.004 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736239786 598498579 /nfs/dbraw/zinc/49/85/79/598498579.db2.gz XVJWBBUVLKPPFK-XQQFMLRXSA-N 1 1 372.433 2.012 20 5 FEBDMO C[C@H]1C[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668332 599589521 /nfs/dbraw/zinc/58/95/21/599589521.db2.gz RRSRBDHPYDHNRV-QWRGUYRKSA-N 1 1 368.401 2.218 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820686571 606699396 /nfs/dbraw/zinc/69/93/96/606699396.db2.gz YKMXGSBRQQSZEQ-FRRDWIJNSA-N 1 1 372.433 2.012 20 5 FEBDMO COc1cc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000810851657 674565196 /nfs/dbraw/zinc/56/51/96/674565196.db2.gz MWCZTECTYFJOFJ-NWDGAFQWSA-N 1 1 350.371 2.396 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000562987353 674831182 /nfs/dbraw/zinc/83/11/82/674831182.db2.gz HPZUVXSCLNIWEE-UHFFFAOYSA-N 1 1 350.396 2.167 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000816950189 675089903 /nfs/dbraw/zinc/08/99/03/675089903.db2.gz MZKFCBOCARPTIF-PRHODGIISA-N 1 1 372.194 2.273 20 5 FEBDMO C[N@@H+]1CCO[C@H](CSCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000571083525 670814011 /nfs/dbraw/zinc/81/40/11/670814011.db2.gz PDWMCJQAFNWVSJ-NSHDSACASA-N 1 1 359.835 2.251 20 5 FEBDMO C[N@H+]1CCO[C@H](CSCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000571083525 670814017 /nfs/dbraw/zinc/81/40/17/670814017.db2.gz PDWMCJQAFNWVSJ-NSHDSACASA-N 1 1 359.835 2.251 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000574153491 671208447 /nfs/dbraw/zinc/20/84/47/671208447.db2.gz KCKRENIDKITMMZ-AWEZNQCLSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000574153491 671208448 /nfs/dbraw/zinc/20/84/48/671208448.db2.gz KCKRENIDKITMMZ-AWEZNQCLSA-N 1 1 353.444 2.014 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000609545775 675925790 /nfs/dbraw/zinc/92/57/90/675925790.db2.gz OTBPQTKLTIHUAN-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000609545775 675925792 /nfs/dbraw/zinc/92/57/92/675925792.db2.gz OTBPQTKLTIHUAN-AWEZNQCLSA-N 1 1 353.444 2.069 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)c1 ZINC000577947584 671630324 /nfs/dbraw/zinc/63/03/24/671630324.db2.gz NLJKCDRCZGEQJT-MRXNPFEDSA-N 1 1 358.423 2.498 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000580043162 671778274 /nfs/dbraw/zinc/77/82/74/671778274.db2.gz XBXIFRTWJDIXDX-AWEZNQCLSA-N 1 1 350.419 2.099 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000581343302 671886353 /nfs/dbraw/zinc/88/63/53/671886353.db2.gz KUUYFCBJQIAEEN-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000610134980 675956342 /nfs/dbraw/zinc/95/63/42/675956342.db2.gz ICEHETOULDFPGK-KBPBESRZSA-N 1 1 355.460 2.397 20 5 FEBDMO C[NH+]1CCN(CCCN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000582007910 671958680 /nfs/dbraw/zinc/95/86/80/671958680.db2.gz POZAMKCHGWJCPQ-HNNXBMFYSA-N 1 1 360.380 2.425 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1F ZINC000582406729 671999481 /nfs/dbraw/zinc/99/94/81/671999481.db2.gz VMTIYBVOEVGMCT-GFCCVEGCSA-N 1 1 353.394 2.132 20 5 FEBDMO CC(C)c1nnc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)s1 ZINC000584345945 672178937 /nfs/dbraw/zinc/17/89/37/672178937.db2.gz KFYKLVWCIJYVPE-LBPRGKRZSA-N 1 1 352.416 2.099 20 5 FEBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000611171169 676022496 /nfs/dbraw/zinc/02/24/96/676022496.db2.gz GHHGKFZRBAMZNG-AWEZNQCLSA-N 1 1 368.455 2.263 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000194333728 672756464 /nfs/dbraw/zinc/75/64/64/672756464.db2.gz XVHUSPIRVOLKIL-NSHDSACASA-N 1 1 373.431 2.377 20 5 FEBDMO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C(=O)N1c1cnn(C)c1 ZINC000612185430 676072605 /nfs/dbraw/zinc/07/26/05/676072605.db2.gz CVTOCWBEUSHFOV-BONVTDFDSA-N 1 1 363.805 2.265 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000612483275 676084094 /nfs/dbraw/zinc/08/40/94/676084094.db2.gz NQBZGAGUFPVZAS-QWHCGFSZSA-N 1 1 353.394 2.064 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484924 673088264 /nfs/dbraw/zinc/08/82/64/673088264.db2.gz YCUIECZGBCMNTJ-KBPBESRZSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000725825295 673092906 /nfs/dbraw/zinc/09/29/06/673092906.db2.gz WVRPYTBXBHDUNH-NWDGAFQWSA-N 1 1 359.835 2.153 20 5 FEBDMO COC(=O)c1c(Cl)c(NCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000596063777 673354904 /nfs/dbraw/zinc/35/49/04/673354904.db2.gz XQMBTYHIQUKZOH-UHFFFAOYSA-N 1 1 370.837 2.084 20 5 FEBDMO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732213510 673357651 /nfs/dbraw/zinc/35/76/51/673357651.db2.gz DVAPYEODVCMVBF-ZDUSSCGKSA-N 1 1 352.822 2.355 20 5 FEBDMO COc1cc(N2CCN(c3ccc(N)[nH+]c3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596097315 673358318 /nfs/dbraw/zinc/35/83/18/673358318.db2.gz HUEUFWXJDOHRHI-UHFFFAOYSA-N 1 1 363.805 2.561 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596307672 673376242 /nfs/dbraw/zinc/37/62/42/673376242.db2.gz NYTINZGWNWMGFL-LBPRGKRZSA-N 1 1 370.475 2.035 20 5 FEBDMO COc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)c([N+](=O)[O-])cc1F ZINC000597574716 673488897 /nfs/dbraw/zinc/48/88/97/673488897.db2.gz GZYUZOPFDYDKQP-STQMWFEESA-N 1 1 355.341 2.001 20 5 FEBDMO CCOC(=O)c1sc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)nc1C ZINC000542616155 673593264 /nfs/dbraw/zinc/59/32/64/673593264.db2.gz RKFBOLDPDULDQA-JTQLQIEISA-N 1 1 353.404 2.084 20 5 FEBDMO O=[N+]([O-])c1nn(CN2CCC[N@H+](C3CCCC3)CC2)cc1Br ZINC000738270341 673614440 /nfs/dbraw/zinc/61/44/40/673614440.db2.gz KMIQZZIYGRQJRS-UHFFFAOYSA-N 1 1 372.267 2.462 20 5 FEBDMO CCOC(=O)c1sc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)nc1C ZINC000543548557 673652596 /nfs/dbraw/zinc/65/25/96/673652596.db2.gz VKAOXVBVEJLFRZ-SNVBAGLBSA-N 1 1 353.404 2.084 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000599415247 673672674 /nfs/dbraw/zinc/67/26/74/673672674.db2.gz LVTOFMQXGWKZJD-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1C ZINC000599416909 673673016 /nfs/dbraw/zinc/67/30/16/673673016.db2.gz YOBMSLTUXNSLQK-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCCNc2cccc(C)[nH+]2)c1 ZINC000544654981 673723539 /nfs/dbraw/zinc/72/35/39/673723539.db2.gz OMPQOOOMFMBMQI-UHFFFAOYSA-N 1 1 364.427 2.305 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000544661110 673724432 /nfs/dbraw/zinc/72/44/32/673724432.db2.gz NETVCXUGVHDRTK-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000544661110 673724434 /nfs/dbraw/zinc/72/44/34/673724434.db2.gz NETVCXUGVHDRTK-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000545864228 673778715 /nfs/dbraw/zinc/77/87/15/673778715.db2.gz XNFLHJRDHHZNFG-KRWDZBQOSA-N 1 1 367.471 2.139 20 5 FEBDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000745090482 673825533 /nfs/dbraw/zinc/82/55/33/673825533.db2.gz UTYXZQSJFQADLF-HNNXBMFYSA-N 1 1 350.371 2.379 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000745090482 673825535 /nfs/dbraw/zinc/82/55/35/673825535.db2.gz UTYXZQSJFQADLF-HNNXBMFYSA-N 1 1 350.371 2.379 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601360305 673848166 /nfs/dbraw/zinc/84/81/66/673848166.db2.gz ZOCGDGMQDRZREL-GFCCVEGCSA-N 1 1 361.489 2.317 20 5 FEBDMO Cc1sc(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C2(C)C)cc1[N+](=O)[O-] ZINC000603111507 673917895 /nfs/dbraw/zinc/91/78/95/673917895.db2.gz RAKASADKGPVLQL-ZIAGYGMSSA-N 1 1 353.444 2.194 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000824086141 675583279 /nfs/dbraw/zinc/58/32/79/675583279.db2.gz SXRKOKQOWJXQGK-TXEJJXNPSA-N 1 1 355.822 2.477 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604505415 675805597 /nfs/dbraw/zinc/80/55/97/675805597.db2.gz ZGHAHPYHRIGYGG-ZYHUDNBSSA-N 1 1 353.806 2.368 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000618469131 676340829 /nfs/dbraw/zinc/34/08/29/676340829.db2.gz YQAFEJWMJNKGML-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252211 676369022 /nfs/dbraw/zinc/36/90/22/676369022.db2.gz HDOWGWKVUYMIHV-ZFWWWQNUSA-N 1 1 350.394 2.042 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000619611557 676387784 /nfs/dbraw/zinc/38/77/84/676387784.db2.gz UJIZSLZKAZCUFQ-INIZCTEOSA-N 1 1 361.423 2.431 20 5 FEBDMO C[C@H]1CSCC[N@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840056821 680795530 /nfs/dbraw/zinc/79/55/30/680795530.db2.gz WVPXXGGWEODCKW-MLGOLLRUSA-N 1 1 351.428 2.174 20 5 FEBDMO C[C@H]1CSCC[N@@H+](CN2C(=O)C[C@H]2Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000840056821 680795532 /nfs/dbraw/zinc/79/55/32/680795532.db2.gz WVPXXGGWEODCKW-MLGOLLRUSA-N 1 1 351.428 2.174 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000765798538 680855782 /nfs/dbraw/zinc/85/57/82/680855782.db2.gz RIZLRGFDBXWQPI-GFCCVEGCSA-N 1 1 361.427 2.346 20 5 FEBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)c(F)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983649595 680317507 /nfs/dbraw/zinc/31/75/07/680317507.db2.gz OWXGOAZWMMUQLE-RTWAVKEYSA-N 1 1 355.797 2.129 20 5 FEBDMO C[C@H]1CC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000754883064 680386584 /nfs/dbraw/zinc/38/65/84/680386584.db2.gz QEUWDPIHMAMGHO-LBPRGKRZSA-N 1 1 364.427 2.148 20 5 FEBDMO C[C@H]1CC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CCS1 ZINC000754883064 680386589 /nfs/dbraw/zinc/38/65/89/680386589.db2.gz QEUWDPIHMAMGHO-LBPRGKRZSA-N 1 1 364.427 2.148 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(Cl)cc1 ZINC001029305029 680387796 /nfs/dbraw/zinc/38/77/96/680387796.db2.gz RCSFGWVCBMNDTC-YYIAUSFCSA-N 1 1 363.845 2.223 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc(Cl)cc1 ZINC001029305029 680387799 /nfs/dbraw/zinc/38/77/99/680387799.db2.gz RCSFGWVCBMNDTC-YYIAUSFCSA-N 1 1 363.845 2.223 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(Cl)cc1 ZINC001029305029 680387802 /nfs/dbraw/zinc/38/78/02/680387802.db2.gz RCSFGWVCBMNDTC-YYIAUSFCSA-N 1 1 363.845 2.223 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000835898973 680395464 /nfs/dbraw/zinc/39/54/64/680395464.db2.gz PAAJOQUVTBOLQY-LLVKDONJSA-N 1 1 368.821 2.129 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000835898973 680395468 /nfs/dbraw/zinc/39/54/68/680395468.db2.gz PAAJOQUVTBOLQY-LLVKDONJSA-N 1 1 368.821 2.129 20 5 FEBDMO O=C(NCC1CC[NH+](Cc2cccc(Cl)c2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001401023 680460259 /nfs/dbraw/zinc/46/02/59/680460259.db2.gz XGTUIWPCTDHFAM-HZPDHXFCSA-N 1 1 351.834 2.333 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000836541539 680481401 /nfs/dbraw/zinc/48/14/01/680481401.db2.gz GUGZOOXVQFSTAQ-RYUDHWBXSA-N 1 1 353.806 2.150 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NCc2c[nH+]c(N(C)C)n2C)cc1Cl ZINC000836697140 680501221 /nfs/dbraw/zinc/50/12/21/680501221.db2.gz GGGISJIYGCPCOV-UHFFFAOYSA-N 1 1 351.794 2.286 20 5 FEBDMO Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC001002784010 680507997 /nfs/dbraw/zinc/50/79/97/680507997.db2.gz XJDDWBWDUNIHKI-HZPDHXFCSA-N 1 1 351.834 2.394 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1Cl ZINC000836783291 680513181 /nfs/dbraw/zinc/51/31/81/680513181.db2.gz FUAAMEGYDWSFOO-GFCCVEGCSA-N 1 1 369.849 2.474 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1Cl ZINC000836783291 680513183 /nfs/dbraw/zinc/51/31/83/680513183.db2.gz FUAAMEGYDWSFOO-GFCCVEGCSA-N 1 1 369.849 2.474 20 5 FEBDMO C[N@@H+](CCCCNC(=O)c1cc([N+](=O)[O-])ncc1Br)C1CC1 ZINC000837227413 680571290 /nfs/dbraw/zinc/57/12/90/680571290.db2.gz VBXLFQWENZNUGH-UHFFFAOYSA-N 1 1 371.235 2.357 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000838150936 680676260 /nfs/dbraw/zinc/67/62/60/680676260.db2.gz YZTYVLHKTKQJIC-SNVBAGLBSA-N 1 1 371.235 2.214 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841613990 680903601 /nfs/dbraw/zinc/90/36/01/680903601.db2.gz DDVGUAWMGFTUMC-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841613990 680903602 /nfs/dbraw/zinc/90/36/02/680903602.db2.gz DDVGUAWMGFTUMC-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO CC[N@H+](CCSC)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000842643632 680956664 /nfs/dbraw/zinc/95/66/64/680956664.db2.gz GFBFODUZOOWTMF-MRXNPFEDSA-N 1 1 366.443 2.004 20 5 FEBDMO CC[N@@H+](CCSC)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000842643632 680956665 /nfs/dbraw/zinc/95/66/65/680956665.db2.gz GFBFODUZOOWTMF-MRXNPFEDSA-N 1 1 366.443 2.004 20 5 FEBDMO Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)sc1C ZINC001050325858 681045173 /nfs/dbraw/zinc/04/51/73/681045173.db2.gz PEVXJSVZFWSSKK-KBUPBQIOSA-N 1 1 366.487 2.190 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000844640209 681069772 /nfs/dbraw/zinc/06/97/72/681069772.db2.gz HFQHXNSXGWAKMO-ADEWGFFLSA-N 1 1 350.375 2.365 20 5 FEBDMO CS(=O)(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000846035009 681176054 /nfs/dbraw/zinc/17/60/54/681176054.db2.gz SKRJBSRWYXJXNC-JTQLQIEISA-N 1 1 368.242 2.025 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]2CC1 ZINC000946589097 681243965 /nfs/dbraw/zinc/24/39/65/681243965.db2.gz FYSDVPOSMHEONU-AYQNGGLBSA-N 1 1 362.257 2.141 20 5 FEBDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584947 681411195 /nfs/dbraw/zinc/41/11/95/681411195.db2.gz PSLGATGZKATQTH-OAHLLOKOSA-N 1 1 353.419 2.475 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+]([C@@H](C)C2CC2)CC1 ZINC000777401639 681490751 /nfs/dbraw/zinc/49/07/51/681490751.db2.gz QFMXFJOTQQEENF-ZDUSSCGKSA-N 1 1 353.444 2.008 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334832 681553979 /nfs/dbraw/zinc/55/39/79/681553979.db2.gz XLAAOOFNVGWABG-KGLIPLIRSA-N 1 1 363.439 2.356 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334834 681554045 /nfs/dbraw/zinc/55/40/45/681554045.db2.gz XLAAOOFNVGWABG-UONOGXRCSA-N 1 1 363.439 2.356 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000934337740 681554702 /nfs/dbraw/zinc/55/47/02/681554702.db2.gz USASEVHNFQOTJS-UKRRQHHQSA-N 1 1 363.439 2.356 20 5 FEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848581643 681582526 /nfs/dbraw/zinc/58/25/26/681582526.db2.gz BJNCZVJBVPJOTP-LBPRGKRZSA-N 1 1 357.357 2.415 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H]2CC2CCOCC2)cc1 ZINC000934643005 681604771 /nfs/dbraw/zinc/60/47/71/681604771.db2.gz SUKOLBWQGNKMLQ-KRWDZBQOSA-N 1 1 350.415 2.491 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCOC[C@@H]2CC2CCOCC2)cc1 ZINC000934643005 681604776 /nfs/dbraw/zinc/60/47/76/681604776.db2.gz SUKOLBWQGNKMLQ-KRWDZBQOSA-N 1 1 350.415 2.491 20 5 FEBDMO CC1(C)CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000783713773 682168687 /nfs/dbraw/zinc/16/86/87/682168687.db2.gz IZMMCJBTHMQSHY-UHFFFAOYSA-N 1 1 372.263 2.246 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)c1Br ZINC000852311963 682258649 /nfs/dbraw/zinc/25/86/49/682258649.db2.gz QLRWTZPYSSFSOE-NSHDSACASA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)c1Br ZINC000852311963 682258654 /nfs/dbraw/zinc/25/86/54/682258654.db2.gz QLRWTZPYSSFSOE-NSHDSACASA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000917908863 685535583 /nfs/dbraw/zinc/53/55/83/685535583.db2.gz KDYDLMFIRHVIMY-NEPJUHHUSA-N 1 1 359.835 2.153 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc1F ZINC000918368077 685538832 /nfs/dbraw/zinc/53/88/32/685538832.db2.gz CZDPNEWLKUEKPG-IYBDPMFKSA-N 1 1 371.434 2.005 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000786787324 682405442 /nfs/dbraw/zinc/40/54/42/682405442.db2.gz CBEBJFZSQWQKMV-AWEZNQCLSA-N 1 1 367.471 2.166 20 5 FEBDMO CCC[N@@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000853905569 682487426 /nfs/dbraw/zinc/48/74/26/682487426.db2.gz DLGNIGROVFIMLX-SNVBAGLBSA-N 1 1 363.386 2.487 20 5 FEBDMO CCC[N@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000853905569 682487427 /nfs/dbraw/zinc/48/74/27/682487427.db2.gz DLGNIGROVFIMLX-SNVBAGLBSA-N 1 1 363.386 2.487 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000790265622 682663484 /nfs/dbraw/zinc/66/34/84/682663484.db2.gz NNFBRECQIDGEBD-PWSUYJOCSA-N 1 1 369.805 2.310 20 5 FEBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](CC)C1 ZINC000855486213 682675869 /nfs/dbraw/zinc/67/58/69/682675869.db2.gz JKZJXMZKYZCJFO-ZDUSSCGKSA-N 1 1 350.375 2.368 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000791337874 682735881 /nfs/dbraw/zinc/73/58/81/682735881.db2.gz XQFNFAXHNKGOAX-GRYCIOLGSA-N 1 1 352.410 2.412 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cs1 ZINC000859275856 683071198 /nfs/dbraw/zinc/07/11/98/683071198.db2.gz CXTYBYRGVULENB-LBPRGKRZSA-N 1 1 359.473 2.342 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000859348195 683089873 /nfs/dbraw/zinc/08/98/73/683089873.db2.gz NHGJOSHZGCHDOX-LBPRGKRZSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000859348195 683089877 /nfs/dbraw/zinc/08/98/77/683089877.db2.gz NHGJOSHZGCHDOX-LBPRGKRZSA-N 1 1 357.407 2.029 20 5 FEBDMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)[C@@H]1C(C)C ZINC000926263155 683100356 /nfs/dbraw/zinc/10/03/56/683100356.db2.gz OQAKSPLTIVDRBQ-LVRJZDEYSA-N 1 1 367.471 2.256 20 5 FEBDMO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000796156281 683134091 /nfs/dbraw/zinc/13/40/91/683134091.db2.gz BSOYAHXHXUAGNI-AWEZNQCLSA-N 1 1 353.423 2.172 20 5 FEBDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796164840 683135527 /nfs/dbraw/zinc/13/55/27/683135527.db2.gz ZKFDEXCIRPWQPM-HOTGVXAUSA-N 1 1 351.403 2.229 20 5 FEBDMO O=C(CN1CC[NH+](CCCF)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000860010398 683187001 /nfs/dbraw/zinc/18/70/01/683187001.db2.gz WJCYRKGKDJTDQS-UHFFFAOYSA-N 1 1 358.801 2.164 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000797413952 683248439 /nfs/dbraw/zinc/24/84/39/683248439.db2.gz JOSAHKICKZYWEC-OAHLLOKOSA-N 1 1 351.794 2.013 20 5 FEBDMO CNC(=O)[C@]1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000797413952 683248440 /nfs/dbraw/zinc/24/84/40/683248440.db2.gz JOSAHKICKZYWEC-OAHLLOKOSA-N 1 1 351.794 2.013 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000797413951 683248583 /nfs/dbraw/zinc/24/85/83/683248583.db2.gz JOSAHKICKZYWEC-HNNXBMFYSA-N 1 1 351.794 2.013 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000797413951 683248590 /nfs/dbraw/zinc/24/85/90/683248590.db2.gz JOSAHKICKZYWEC-HNNXBMFYSA-N 1 1 351.794 2.013 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928098033 683388447 /nfs/dbraw/zinc/38/84/47/683388447.db2.gz GRAAZIBMQZAMEK-CABCVRRESA-N 1 1 367.496 2.383 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928098033 683388455 /nfs/dbraw/zinc/38/84/55/683388455.db2.gz GRAAZIBMQZAMEK-CABCVRRESA-N 1 1 367.496 2.383 20 5 FEBDMO CCOc1ccc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000861341331 683390927 /nfs/dbraw/zinc/39/09/27/683390927.db2.gz PLVQEIQNWUMQNA-DYVFJYSZSA-N 1 1 352.387 2.260 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOC3CCSCC3)C2)nc1 ZINC000929988455 683665734 /nfs/dbraw/zinc/66/57/34/683665734.db2.gz OBSKNSYBHAXVGJ-ZDUSSCGKSA-N 1 1 352.460 2.388 20 5 FEBDMO C[NH+](C)Cc1cnc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000865705043 684016488 /nfs/dbraw/zinc/01/64/88/684016488.db2.gz DIHFXVVEAPNXLG-MRXNPFEDSA-N 1 1 350.444 2.110 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C1 ZINC000865731653 684020514 /nfs/dbraw/zinc/02/05/14/684020514.db2.gz VAXLSNOGJUAMRI-SECBINFHSA-N 1 1 358.324 2.465 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000925239068 684543434 /nfs/dbraw/zinc/54/34/34/684543434.db2.gz SZTLAYLLAOOYMX-UONOGXRCSA-N 1 1 350.419 2.018 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)N[C@H](C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000925239068 684543437 /nfs/dbraw/zinc/54/34/37/684543437.db2.gz SZTLAYLLAOOYMX-UONOGXRCSA-N 1 1 350.419 2.018 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1C ZINC000872663584 685000270 /nfs/dbraw/zinc/00/02/70/685000270.db2.gz KMAWBIAEOWSSOZ-GJZGRUSLSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1C ZINC000872663584 685000273 /nfs/dbraw/zinc/00/02/73/685000273.db2.gz KMAWBIAEOWSSOZ-GJZGRUSLSA-N 1 1 353.444 2.069 20 5 FEBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872720135 685008331 /nfs/dbraw/zinc/00/83/31/685008331.db2.gz INKAVJWDNDCUMI-STQMWFEESA-N 1 1 362.411 2.054 20 5 FEBDMO O=c1oc(-c2ccc([N+](=O)[O-])cc2)nn1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872720135 685008334 /nfs/dbraw/zinc/00/83/34/685008334.db2.gz INKAVJWDNDCUMI-STQMWFEESA-N 1 1 362.411 2.054 20 5 FEBDMO C[C@]12CN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)C[C@@]1(C)CS(=O)(=O)C2 ZINC000872737911 685010748 /nfs/dbraw/zinc/01/07/48/685010748.db2.gz VYXIXZBHVSXFFL-CALCHBBNSA-N 1 1 361.423 2.404 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872757548 685013629 /nfs/dbraw/zinc/01/36/29/685013629.db2.gz FROVBHUMWLIRCD-NWDGAFQWSA-N 1 1 356.220 2.003 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000873395018 685121728 /nfs/dbraw/zinc/12/17/28/685121728.db2.gz FFBUXNYMYOPWQL-OAHLLOKOSA-N 1 1 350.419 2.440 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879320935 686794528 /nfs/dbraw/zinc/79/45/28/686794528.db2.gz KDTJAJRQQUFEIW-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000879575947 686861687 /nfs/dbraw/zinc/86/16/87/686861687.db2.gz PCTPZLBCJBIURA-BXUZGUMPSA-N 1 1 352.822 2.213 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880135185 687003959 /nfs/dbraw/zinc/00/39/59/687003959.db2.gz RITXYLZJGCISHP-HUUCEWRRSA-N 1 1 352.822 2.355 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)C2(COC)CCC2)c([N+](=O)[O-])c1 ZINC000880188301 687013195 /nfs/dbraw/zinc/01/31/95/687013195.db2.gz YSLUIVMTYRYCHX-UHFFFAOYSA-N 1 1 351.403 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C2(COC)CCC2)c([N+](=O)[O-])c1 ZINC000880188301 687013197 /nfs/dbraw/zinc/01/31/97/687013197.db2.gz YSLUIVMTYRYCHX-UHFFFAOYSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1c(O)ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000892152677 689157400 /nfs/dbraw/zinc/15/74/00/689157400.db2.gz WCQPJCOPKNJTJK-AWEZNQCLSA-N 1 1 352.387 2.079 20 5 FEBDMO CO[C@@]1(C(=O)O[C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCSC1 ZINC000893052939 689288337 /nfs/dbraw/zinc/28/83/37/689288337.db2.gz KVCUXCQWSIZWGA-RDJZCZTQSA-N 1 1 366.439 2.234 20 5 FEBDMO CO[C@@]1(C(=O)O[C@H]2CC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CCSC1 ZINC000893052939 689288340 /nfs/dbraw/zinc/28/83/40/689288340.db2.gz KVCUXCQWSIZWGA-RDJZCZTQSA-N 1 1 366.439 2.234 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000895246673 689684020 /nfs/dbraw/zinc/68/40/20/689684020.db2.gz OZZMNIMGCSWMQH-QMTHXVAHSA-N 1 1 370.837 2.081 20 5 FEBDMO COC(=O)c1cc(C)nc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895569716 689736637 /nfs/dbraw/zinc/73/66/37/689736637.db2.gz MZAQMOCAMJYJIQ-CHWSQXEVSA-N 1 1 366.443 2.077 20 5 FEBDMO COC(=O)c1cc(C)nc(N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895569716 689736639 /nfs/dbraw/zinc/73/66/39/689736639.db2.gz MZAQMOCAMJYJIQ-CHWSQXEVSA-N 1 1 366.443 2.077 20 5 FEBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000895570738 689737207 /nfs/dbraw/zinc/73/72/07/689737207.db2.gz XDPOJOQUYOTYSG-BDAKNGLRSA-N 1 1 365.381 2.339 20 5 FEBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000895570738 689737209 /nfs/dbraw/zinc/73/72/09/689737209.db2.gz XDPOJOQUYOTYSG-BDAKNGLRSA-N 1 1 365.381 2.339 20 5 FEBDMO C[N@H+]1CC[C@H](CC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000899213384 690320492 /nfs/dbraw/zinc/32/04/92/690320492.db2.gz DNVYJPJOQOLRRW-SNVBAGLBSA-N 1 1 356.220 2.315 20 5 FEBDMO CC(C)[N@@H+](C)CCCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906101860 691232135 /nfs/dbraw/zinc/23/21/35/691232135.db2.gz NTIRKYUQUTWHNF-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906522085 691279562 /nfs/dbraw/zinc/27/95/62/691279562.db2.gz GQNYGJNNIWLMQZ-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1c(C)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164771720 721148281 /nfs/dbraw/zinc/14/82/81/721148281.db2.gz SRGKFOWIDORSPP-IRXDYDNUSA-N 1 1 370.457 2.298 20 5 FEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]12 ZINC001164803148 721537467 /nfs/dbraw/zinc/53/74/67/721537467.db2.gz IHUWRWPERZXOSR-GPMSIDNRSA-N 1 1 369.425 2.253 20 5 FEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cccc([N+](=O)[O-])n2)[C@@H]2CCCO[C@@H]12 ZINC001164803148 721537471 /nfs/dbraw/zinc/53/74/71/721537471.db2.gz IHUWRWPERZXOSR-GPMSIDNRSA-N 1 1 369.425 2.253 20 5 FEBDMO Nc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907539 721552189 /nfs/dbraw/zinc/55/21/89/721552189.db2.gz OCUDDDXAOTZDLZ-ZBFHGGJFSA-N 1 1 373.388 2.053 20 5 FEBDMO O=[N+]([O-])c1cc[n+]([O-])c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164954665 722012584 /nfs/dbraw/zinc/01/25/84/722012584.db2.gz NYNKQQBTQSJGSI-UHFFFAOYSA-N 1 1 369.425 2.116 20 5 FEBDMO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c2ccccc21 ZINC001164967052 722070975 /nfs/dbraw/zinc/07/09/75/722070975.db2.gz GKMLPYITYAXEQK-GASCZTMLSA-N 1 1 354.410 2.442 20 5 FEBDMO CNS(=O)(=O)c1ccc(NCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000017281837 539640656 /nfs/dbraw/zinc/64/06/56/539640656.db2.gz KCFPSPMBPVRIEK-ZDUSSCGKSA-N 1 1 370.475 2.179 20 5 FEBDMO NC(=O)c1ccc(NCc2ccc(C[NH+]3CCOCC3)cc2)c([N+](=O)[O-])c1 ZINC000018061555 539645276 /nfs/dbraw/zinc/64/52/76/539645276.db2.gz UDRZSMFZYNQNEO-UHFFFAOYSA-N 1 1 370.409 2.138 20 5 FEBDMO C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000026350610 539784793 /nfs/dbraw/zinc/78/47/93/539784793.db2.gz KHJQTZRJPWQGPV-UHFFFAOYSA-N 1 1 370.409 2.443 20 5 FEBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000032736873 539950058 /nfs/dbraw/zinc/95/00/58/539950058.db2.gz QBYMGMBAMOWDCL-UHFFFAOYSA-N 1 1 358.398 2.053 20 5 FEBDMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cc1[N+](=O)[O-] ZINC000043269284 540094897 /nfs/dbraw/zinc/09/48/97/540094897.db2.gz TWRVFWOBNSYENC-UHFFFAOYSA-N 1 1 357.414 2.487 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000045465111 540214609 /nfs/dbraw/zinc/21/46/09/540214609.db2.gz DUJCZOOEGKRUMU-CYBMUJFWSA-N 1 1 354.410 2.475 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000049980540 540396060 /nfs/dbraw/zinc/39/60/60/540396060.db2.gz KFXUEZBENIQVTC-UHFFFAOYSA-N 1 1 360.393 2.148 20 5 FEBDMO CN1CC[NH+](Cc2ccc(C(=O)NCc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000054080460 540567726 /nfs/dbraw/zinc/56/77/26/540567726.db2.gz QENXYLMGSVPFLC-UHFFFAOYSA-N 1 1 368.437 2.272 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(CN3CCOCC3)CC2)cc1 ZINC000056494554 540729841 /nfs/dbraw/zinc/72/98/41/540729841.db2.gz QTRCEVBZWRWQFH-UHFFFAOYSA-N 1 1 363.458 2.408 20 5 FEBDMO C[C@H](NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000056394477 540723577 /nfs/dbraw/zinc/72/35/77/540723577.db2.gz OTVDBAPZNBUZNL-XQLPTFJDSA-N 1 1 364.446 2.453 20 5 FEBDMO C[C@H](NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000056394477 540723579 /nfs/dbraw/zinc/72/35/79/540723579.db2.gz OTVDBAPZNBUZNL-XQLPTFJDSA-N 1 1 364.446 2.453 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000056786172 540745581 /nfs/dbraw/zinc/74/55/81/540745581.db2.gz DLUOZTHJOYZYPP-HUUCEWRRSA-N 1 1 363.462 2.426 20 5 FEBDMO CCOc1cc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000057715306 540810882 /nfs/dbraw/zinc/81/08/82/540810882.db2.gz WKMBTMABUCULRH-LLVKDONJSA-N 1 1 351.403 2.215 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000062120299 541144607 /nfs/dbraw/zinc/14/46/07/541144607.db2.gz GGZSIXXPZDXOGP-KGLIPLIRSA-N 1 1 362.430 2.221 20 5 FEBDMO O=C(c1ccccn1)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065953247 541274224 /nfs/dbraw/zinc/27/42/24/541274224.db2.gz PYORCPVLDCZXSF-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO O=C(c1ccccn1)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065953247 541274226 /nfs/dbraw/zinc/27/42/26/541274226.db2.gz PYORCPVLDCZXSF-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO CCOc1cc(C(=O)NCC[N@@H+](C)[C@H](C)CC)c([N+](=O)[O-])cc1OC ZINC000066137013 541283663 /nfs/dbraw/zinc/28/36/63/541283663.db2.gz FYUAYSUBQZUFBN-GFCCVEGCSA-N 1 1 353.419 2.462 20 5 FEBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000066468212 541321427 /nfs/dbraw/zinc/32/14/27/541321427.db2.gz YIEJZPDXHJCIAG-UHFFFAOYSA-N 1 1 360.458 2.365 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066395965 541313928 /nfs/dbraw/zinc/31/39/28/541313928.db2.gz MXNVENMBQGHZCA-SZTZYQKNSA-N 1 1 359.426 2.320 20 5 FEBDMO C[NH+]1CCN(C(=O)CC2CCN(c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000066860375 541382196 /nfs/dbraw/zinc/38/21/96/541382196.db2.gz KEMAVBRCYGXVFA-UHFFFAOYSA-N 1 1 352.460 2.037 20 5 FEBDMO CNC(=O)c1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000066871908 541384254 /nfs/dbraw/zinc/38/42/54/541384254.db2.gz WHTUBVLFTWIWSV-UHFFFAOYSA-N 1 1 354.410 2.277 20 5 FEBDMO Cc1c(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000067398126 541457291 /nfs/dbraw/zinc/45/72/91/541457291.db2.gz JHUZDOPUHBNHOM-QWHCGFSZSA-N 1 1 362.430 2.078 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000068037555 541541032 /nfs/dbraw/zinc/54/10/32/541541032.db2.gz XBMLKVSFBQBGPA-HNNXBMFYSA-N 1 1 361.423 2.148 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000068037555 541541036 /nfs/dbraw/zinc/54/10/36/541541036.db2.gz XBMLKVSFBQBGPA-HNNXBMFYSA-N 1 1 361.423 2.148 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000069036352 541651193 /nfs/dbraw/zinc/65/11/93/541651193.db2.gz REWDCSMPYJEKRZ-ZDUSSCGKSA-N 1 1 365.430 2.462 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000072904584 541891834 /nfs/dbraw/zinc/89/18/34/541891834.db2.gz DUNSKBZKRWHGDC-CQSZACIVSA-N 1 1 372.429 2.170 20 5 FEBDMO CN(CC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1[N+](=O)[O-] ZINC000074324104 542070033 /nfs/dbraw/zinc/07/00/33/542070033.db2.gz HMLQOTSJLMHSKR-MRXNPFEDSA-N 1 1 360.458 2.221 20 5 FEBDMO COc1ccccc1C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000075711443 542199918 /nfs/dbraw/zinc/19/99/18/542199918.db2.gz JEMHPXZOVVLOSW-YJBOKZPZSA-N 1 1 374.441 2.116 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832302 542206349 /nfs/dbraw/zinc/20/63/49/542206349.db2.gz BJWYCJHGERJDAO-INIZCTEOSA-N 1 1 350.415 2.370 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(Nc3ncc([N+](=O)[O-])c(N)n3)c2)C[C@H](C)O1 ZINC000077983187 542436020 /nfs/dbraw/zinc/43/60/20/542436020.db2.gz GIMPYCIUWHUKDV-TXEJJXNPSA-N 1 1 358.402 2.320 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(Nc3ncc([N+](=O)[O-])c(N)n3)c2)C[C@H](C)O1 ZINC000077983187 542436022 /nfs/dbraw/zinc/43/60/22/542436022.db2.gz GIMPYCIUWHUKDV-TXEJJXNPSA-N 1 1 358.402 2.320 20 5 FEBDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)COc2cccnc2[N+](=O)[O-])CC1 ZINC000078705153 542476935 /nfs/dbraw/zinc/47/69/35/542476935.db2.gz GIGPRITVKJGCJW-OAHLLOKOSA-N 1 1 370.409 2.274 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000079893471 542548254 /nfs/dbraw/zinc/54/82/54/542548254.db2.gz NKPPRURRHQURAW-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000802131865 674162371 /nfs/dbraw/zinc/16/23/71/674162371.db2.gz PKRWYLUUEFKCHQ-CQSZACIVSA-N 1 1 351.403 2.049 20 5 FEBDMO Cc1ccc(C[NH+]2CCC(NC(=O)c3cnn(C)c3)CC2)cc1[N+](=O)[O-] ZINC000092074193 542844103 /nfs/dbraw/zinc/84/41/03/542844103.db2.gz WXTOTHCIRGFSLU-UHFFFAOYSA-N 1 1 357.414 2.031 20 5 FEBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092101804 542845773 /nfs/dbraw/zinc/84/57/73/542845773.db2.gz CNAIMLVTTWXHMY-LBPRGKRZSA-N 1 1 357.357 2.496 20 5 FEBDMO COc1cc(C[NH+]2CCC(N(C)C(C)=O)CC2)c([N+](=O)[O-])cc1OC ZINC000092538441 542869988 /nfs/dbraw/zinc/86/99/88/542869988.db2.gz OARZMEMZALDEJD-UHFFFAOYSA-N 1 1 351.403 2.055 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000093001787 542900982 /nfs/dbraw/zinc/90/09/82/542900982.db2.gz NLYWUUBAKWSAFW-OCCSQVGLSA-N 1 1 373.450 2.393 20 5 FEBDMO CCS(=O)(=O)N(C)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093320927 542926407 /nfs/dbraw/zinc/92/64/07/542926407.db2.gz OSEZAJHLWKHLSA-SOFGYWHQSA-N 1 1 367.471 2.354 20 5 FEBDMO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCS(=O)(=O)C3)o2)c([N+](=O)[O-])c1 ZINC000102420190 543069604 /nfs/dbraw/zinc/06/96/04/543069604.db2.gz JCRIJRYOSRIVBS-LLVKDONJSA-N 1 1 366.395 2.140 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1C ZINC000113305704 543483681 /nfs/dbraw/zinc/48/36/81/543483681.db2.gz DEMVOHUDEJORMD-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000113438301 543487798 /nfs/dbraw/zinc/48/77/98/543487798.db2.gz OJVTZAFZEMCXIH-ZDUSSCGKSA-N 1 1 372.425 2.431 20 5 FEBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000113271254 543481114 /nfs/dbraw/zinc/48/11/14/543481114.db2.gz UZQVSKWECJMDOV-DGCLKSJQSA-N 1 1 352.822 2.355 20 5 FEBDMO Cc1ccc(C)c([C@@H]2C[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H](C)CO2)c1 ZINC000247456250 549336377 /nfs/dbraw/zinc/33/63/77/549336377.db2.gz HWXUHFAHJXIBEM-WDYCEAGBSA-N 1 1 374.441 2.231 20 5 FEBDMO Cc1ccc(C)c([C@@H]2C[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H](C)CO2)c1 ZINC000247456250 549336378 /nfs/dbraw/zinc/33/63/78/549336378.db2.gz HWXUHFAHJXIBEM-WDYCEAGBSA-N 1 1 374.441 2.231 20 5 FEBDMO CC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](C)Cc1ccc(OC)cc1 ZINC000247483891 549341150 /nfs/dbraw/zinc/34/11/50/549341150.db2.gz KKKAENQIWAEOMM-RHSMWYFYSA-N 1 1 362.430 2.114 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)CCCn2ccnc2)c([N+](=O)[O-])c1 ZINC000124344705 543815384 /nfs/dbraw/zinc/81/53/84/543815384.db2.gz CFVWOOXHBMHWKD-UHFFFAOYSA-N 1 1 361.402 2.151 20 5 FEBDMO C[C@H](C[S@@](C)=O)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126388112 543933050 /nfs/dbraw/zinc/93/30/50/543933050.db2.gz UYDQBBCLJXYXCR-YYUOZPCZSA-N 1 1 351.428 2.491 20 5 FEBDMO CCCc1n[nH]c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636392 543948168 /nfs/dbraw/zinc/94/81/68/543948168.db2.gz ZVSFFWKBCYWUMT-DOMZBBRYSA-N 1 1 361.446 2.359 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636392 543948170 /nfs/dbraw/zinc/94/81/70/543948170.db2.gz ZVSFFWKBCYWUMT-DOMZBBRYSA-N 1 1 361.446 2.359 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000126636392 543948173 /nfs/dbraw/zinc/94/81/73/543948173.db2.gz ZVSFFWKBCYWUMT-DOMZBBRYSA-N 1 1 361.446 2.359 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1SC ZINC000127258440 543981766 /nfs/dbraw/zinc/98/17/66/543981766.db2.gz DPEMAWFHIONCJO-QWRGUYRKSA-N 1 1 353.444 2.490 20 5 FEBDMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000131997563 544214705 /nfs/dbraw/zinc/21/47/05/544214705.db2.gz VKIRKXLKIWFHQQ-YOEHRIQHSA-N 1 1 360.414 2.283 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000132272882 544225144 /nfs/dbraw/zinc/22/51/44/544225144.db2.gz URUODEQLOLFBLO-NVXWUHKLSA-N 1 1 371.441 2.303 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000132624651 544238378 /nfs/dbraw/zinc/23/83/78/544238378.db2.gz MAZATZPDBODPFN-UHFFFAOYSA-N 1 1 363.336 2.312 20 5 FEBDMO C[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000133797859 544283550 /nfs/dbraw/zinc/28/35/50/544283550.db2.gz JJJGBKSHUWVVKA-UHFFFAOYSA-N 1 1 356.220 2.064 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000133872138 544286671 /nfs/dbraw/zinc/28/66/71/544286671.db2.gz RCHBZBHDSFAGFN-HNNXBMFYSA-N 1 1 369.849 2.144 20 5 FEBDMO C[NH+]1CCC(N2CCC(NC(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000134074216 544293551 /nfs/dbraw/zinc/29/35/51/544293551.db2.gz ACKDUFWTIBGASU-UHFFFAOYSA-N 1 1 364.421 2.022 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134931177 544328585 /nfs/dbraw/zinc/32/85/85/544328585.db2.gz CDFKTMLOCNGRQX-UHFFFAOYSA-N 1 1 368.865 2.396 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H](O)COC1CCOCC1)C1CC1 ZINC000135223907 544338644 /nfs/dbraw/zinc/33/86/44/544338644.db2.gz KIFHQQNPGDFHQM-MRXNPFEDSA-N 1 1 350.415 2.116 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000136031381 544365384 /nfs/dbraw/zinc/36/53/84/544365384.db2.gz OFEOIFYGYHJDSG-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000137207166 544386996 /nfs/dbraw/zinc/38/69/96/544386996.db2.gz HFAUTTNTKYYBKL-UHFFFAOYSA-N 1 1 374.441 2.188 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000137262954 544387956 /nfs/dbraw/zinc/38/79/56/544387956.db2.gz KVTHTHKUQGUKQS-LBPRGKRZSA-N 1 1 353.806 2.043 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000138889408 544398341 /nfs/dbraw/zinc/39/83/41/544398341.db2.gz GEGZOZBRGIMEQO-TXEJJXNPSA-N 1 1 352.410 2.414 20 5 FEBDMO CCN(CC)S(=O)(=O)c1ccc(NC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000140023887 544406693 /nfs/dbraw/zinc/40/66/93/544406693.db2.gz ZYZDLSNGQUZGAX-CYBMUJFWSA-N 1 1 370.475 2.131 20 5 FEBDMO CSc1ccc(C(=O)NC[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000150730043 544464559 /nfs/dbraw/zinc/46/45/59/544464559.db2.gz UIGMXFSCDZZICR-LBPRGKRZSA-N 1 1 353.444 2.015 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000150927580 544487677 /nfs/dbraw/zinc/48/76/77/544487677.db2.gz UVNYQATVNFVIEU-RTHVDDQRSA-N 1 1 371.441 2.064 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000152224836 544627205 /nfs/dbraw/zinc/62/72/05/544627205.db2.gz ARQGJNOLSHBWSZ-UHFFFAOYSA-N 1 1 351.403 2.169 20 5 FEBDMO C[C@@H]1CN(C[C@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@@H](C)O1 ZINC000153294885 544757121 /nfs/dbraw/zinc/75/71/21/544757121.db2.gz BXNZJNKTRMDTNA-CLCXKQKWSA-N 1 1 363.458 2.029 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1SC ZINC000153550754 544789759 /nfs/dbraw/zinc/78/97/59/544789759.db2.gz PSAXSVLOMDFPIZ-NSHDSACASA-N 1 1 353.444 2.492 20 5 FEBDMO COC(=O)c1cc(C)nc(N2CCC[N@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000553008921 674233691 /nfs/dbraw/zinc/23/36/91/674233691.db2.gz WVKRUAJGJXZTKX-UHFFFAOYSA-N 1 1 350.419 2.395 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1c([N+](=O)[O-])cccc1[N+](=O)[O-] ZINC000804567436 674292662 /nfs/dbraw/zinc/29/26/62/674292662.db2.gz NBXDKZXUXPSHKL-UHFFFAOYSA-N 1 1 352.391 2.298 20 5 FEBDMO CCC[C@@]1(C)C(=O)NCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000187306798 328015021 /nfs/dbraw/zinc/01/50/21/328015021.db2.gz NNZFBFDWRYQEGT-SFHVURJKSA-N 1 1 362.430 2.222 20 5 FEBDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000187306798 328015023 /nfs/dbraw/zinc/01/50/23/328015023.db2.gz NNZFBFDWRYQEGT-SFHVURJKSA-N 1 1 362.430 2.222 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000188023954 328060945 /nfs/dbraw/zinc/06/09/45/328060945.db2.gz BSFQBLSDCBQJBX-PXAZEXFGSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000188624887 328099671 /nfs/dbraw/zinc/09/96/71/328099671.db2.gz FMZOXCGWYHWLBQ-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000188624887 328099673 /nfs/dbraw/zinc/09/96/73/328099673.db2.gz FMZOXCGWYHWLBQ-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000189146939 328131192 /nfs/dbraw/zinc/13/11/92/328131192.db2.gz OWCQQJWPRGSMBM-LSDHHAIUSA-N 1 1 369.487 2.177 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189147759 328131390 /nfs/dbraw/zinc/13/13/90/328131390.db2.gz HGJGFCKTYBRWGI-ZIAGYGMSSA-N 1 1 355.460 2.135 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 ZINC000189672623 328161296 /nfs/dbraw/zinc/16/12/96/328161296.db2.gz PNZSBUMIHRNSCS-KRWDZBQOSA-N 1 1 357.414 2.051 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCOCC(F)(F)C(F)F)C2)nc1 ZINC000189677629 328161635 /nfs/dbraw/zinc/16/16/35/328161635.db2.gz YRWPVSZLOTZNLA-JTQLQIEISA-N 1 1 366.315 2.393 20 5 FEBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CCOCC1 ZINC000191032201 328246556 /nfs/dbraw/zinc/24/65/56/328246556.db2.gz HFMGZKFEHWESMB-UHFFFAOYSA-N 1 1 361.398 2.266 20 5 FEBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2nn(CC)cc2[N+](=O)[O-])C1 ZINC000191810608 328283253 /nfs/dbraw/zinc/28/32/53/328283253.db2.gz WYNKSYVCZDDTRY-CYBMUJFWSA-N 1 1 351.451 2.442 20 5 FEBDMO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000193662453 328388401 /nfs/dbraw/zinc/38/84/01/328388401.db2.gz OCIHYASWQQLGPA-INIZCTEOSA-N 1 1 370.409 2.432 20 5 FEBDMO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193824714 328397442 /nfs/dbraw/zinc/39/74/42/328397442.db2.gz GWGDOHMGXVRMDM-ZDUSSCGKSA-N 1 1 364.402 2.487 20 5 FEBDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000193824714 328397444 /nfs/dbraw/zinc/39/74/44/328397444.db2.gz GWGDOHMGXVRMDM-ZDUSSCGKSA-N 1 1 364.402 2.487 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000081571887 325185418 /nfs/dbraw/zinc/18/54/18/325185418.db2.gz WFYYHQBAPCFJFF-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO CCOCCCNC(=O)C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103466668 325519229 /nfs/dbraw/zinc/51/92/29/325519229.db2.gz BNWJIZDCDDRNRB-UHFFFAOYSA-N 1 1 367.421 2.489 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000120600650 326271826 /nfs/dbraw/zinc/27/18/26/326271826.db2.gz FNAHWRYEDNZJHI-JSGCOSHPSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000122389001 326394854 /nfs/dbraw/zinc/39/48/54/326394854.db2.gz MUSIXMJEYFMABT-ZBFHGGJFSA-N 1 1 367.471 2.316 20 5 FEBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)Nc1ccncc1[N+](=O)[O-] ZINC000124568525 326456253 /nfs/dbraw/zinc/45/62/53/326456253.db2.gz YGXXKEPGPSQZRK-UHFFFAOYSA-N 1 1 363.418 2.146 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000173260672 327244892 /nfs/dbraw/zinc/24/48/92/327244892.db2.gz IQGROOFXCAQVST-TZMCWYRMSA-N 1 1 355.460 2.254 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(Cc2ccon2)CC1 ZINC000173626426 327272011 /nfs/dbraw/zinc/27/20/11/327272011.db2.gz QJGDKBYAFFVAIF-UHFFFAOYSA-N 1 1 373.413 2.038 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000173829691 327287236 /nfs/dbraw/zinc/28/72/36/327287236.db2.gz LAOXYFNAQLSEKK-HUUCEWRRSA-N 1 1 367.471 2.459 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174184425 327311177 /nfs/dbraw/zinc/31/11/77/327311177.db2.gz BMMJIBOQYHTHSS-AWEZNQCLSA-N 1 1 364.446 2.477 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000174490832 327330548 /nfs/dbraw/zinc/33/05/48/327330548.db2.gz HQCSKMDRYQWJHH-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2ccc(F)cc2F)C2CC2)c1 ZINC000174738256 327347333 /nfs/dbraw/zinc/34/73/33/327347333.db2.gz GZEDRUVYEUUTOV-HNNXBMFYSA-N 1 1 352.341 2.095 20 5 FEBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc2C1 ZINC000174751305 327348449 /nfs/dbraw/zinc/34/84/49/327348449.db2.gz XFPVNKURQBJLEX-MJGOQNOKSA-N 1 1 358.442 2.422 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000175261892 327383054 /nfs/dbraw/zinc/38/30/54/327383054.db2.gz LOTSFEKTUDJXKZ-SNVBAGLBSA-N 1 1 373.356 2.292 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000175480953 327394991 /nfs/dbraw/zinc/39/49/91/327394991.db2.gz IDRDCYHVUKWHEV-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CCC(CC)[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000248231968 328712473 /nfs/dbraw/zinc/71/24/73/328712473.db2.gz AUPKYMFZCYZKDV-GOSISDBHSA-N 1 1 363.458 2.391 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC000265200584 329101493 /nfs/dbraw/zinc/10/14/93/329101493.db2.gz QVPQNEKADGYVDB-UHFFFAOYSA-N 1 1 352.782 2.369 20 5 FEBDMO COCCCOC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000265979138 329178625 /nfs/dbraw/zinc/17/86/25/329178625.db2.gz DLZHATFERKYAFY-UHFFFAOYSA-N 1 1 366.414 2.479 20 5 FEBDMO COc1cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265980824 329178951 /nfs/dbraw/zinc/17/89/51/329178951.db2.gz YXSQRJHKRGRKHO-STQMWFEESA-N 1 1 365.430 2.462 20 5 FEBDMO C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000266205662 329200280 /nfs/dbraw/zinc/20/02/80/329200280.db2.gz KRMSAPXBILTZEX-AWEZNQCLSA-N 1 1 369.425 2.190 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000266291720 329208684 /nfs/dbraw/zinc/20/86/84/329208684.db2.gz MAJKUPKPAXFRPH-CQSZACIVSA-N 1 1 355.460 2.256 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266351271 329214074 /nfs/dbraw/zinc/21/40/74/329214074.db2.gz XJPYMNOBPAEADE-OAHLLOKOSA-N 1 1 355.460 2.231 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267324440 329314833 /nfs/dbraw/zinc/31/48/33/329314833.db2.gz ZMSTYQVEMWZKRS-CHWSQXEVSA-N 1 1 353.444 2.061 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000267371012 329320054 /nfs/dbraw/zinc/32/00/54/329320054.db2.gz YGNBCNFSBGJRHZ-AWEZNQCLSA-N 1 1 350.419 2.087 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267524584 329335314 /nfs/dbraw/zinc/33/53/14/329335314.db2.gz RMWMYZUPILEEHP-WFASDCNBSA-N 1 1 357.414 2.409 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000268072354 329382542 /nfs/dbraw/zinc/38/25/42/329382542.db2.gz DAXYCEKIMMTKIS-CYBMUJFWSA-N 1 1 363.414 2.397 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268157075 329391329 /nfs/dbraw/zinc/39/13/29/329391329.db2.gz XPUZKTDYWKFUQT-UHFFFAOYSA-N 1 1 358.826 2.016 20 5 FEBDMO COc1cc(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000268183651 329394372 /nfs/dbraw/zinc/39/43/72/329394372.db2.gz UGGMSNWLZLPACH-INIZCTEOSA-N 1 1 354.426 2.426 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)s1 ZINC000271635376 329709887 /nfs/dbraw/zinc/70/98/87/329709887.db2.gz OQTHNHFETYYKLM-VIFPVBQESA-N 1 1 356.429 2.167 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272070826 329749311 /nfs/dbraw/zinc/74/93/11/329749311.db2.gz CCUJHZQLUSLMCJ-UHFFFAOYSA-N 1 1 360.399 2.267 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000275135819 330014266 /nfs/dbraw/zinc/01/42/66/330014266.db2.gz SWGNLXRTXAWFTH-SNVBAGLBSA-N 1 1 361.320 2.104 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000276469913 330155453 /nfs/dbraw/zinc/15/54/53/330155453.db2.gz YLICNWKJSXHWAS-GXTWGEPZSA-N 1 1 352.387 2.113 20 5 FEBDMO C[NH+]1CCN(C(=O)c2ccc(CNc3ncc([N+](=O)[O-])s3)cc2)CC1 ZINC000281808140 330175696 /nfs/dbraw/zinc/17/56/96/330175696.db2.gz FYIQLYXDZCEZHY-UHFFFAOYSA-N 1 1 361.427 2.051 20 5 FEBDMO C[C@@H](O)C[C@@H]1COCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156931042 545678068 /nfs/dbraw/zinc/67/80/68/545678068.db2.gz BQNJEFTWONICKD-CZUORRHYSA-N 1 1 361.398 2.264 20 5 FEBDMO C[C@@H](O)C[C@@H]1COCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000156931042 545678075 /nfs/dbraw/zinc/67/80/75/545678075.db2.gz BQNJEFTWONICKD-CZUORRHYSA-N 1 1 361.398 2.264 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000157130183 545703346 /nfs/dbraw/zinc/70/33/46/545703346.db2.gz NLLQNAVSYUPBRH-KDOFPFPSSA-N 1 1 369.425 2.337 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000158963892 545909180 /nfs/dbraw/zinc/90/91/80/545909180.db2.gz IOBXKVRVUDBTOL-OAHLLOKOSA-N 1 1 367.471 2.074 20 5 FEBDMO COc1ccc(C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1[N+](=O)[O-] ZINC000159141856 545925223 /nfs/dbraw/zinc/92/52/23/545925223.db2.gz DEZAECLSNKSXRU-QGZVFWFLSA-N 1 1 360.414 2.283 20 5 FEBDMO CCCc1ccc([C@@H](C)[N@H+](CCn2ccc([N+](=O)[O-])n2)CC(N)=O)cc1 ZINC000478434670 561166801 /nfs/dbraw/zinc/16/68/01/561166801.db2.gz YHZXURBNGUJSPS-CQSZACIVSA-N 1 1 359.430 2.292 20 5 FEBDMO CCCc1ccc([C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC(N)=O)cc1 ZINC000478434670 561166802 /nfs/dbraw/zinc/16/68/02/561166802.db2.gz YHZXURBNGUJSPS-CQSZACIVSA-N 1 1 359.430 2.292 20 5 FEBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000160092855 546006814 /nfs/dbraw/zinc/00/68/14/546006814.db2.gz CCBXCZHHLNIUIF-UHFFFAOYSA-N 1 1 374.445 2.001 20 5 FEBDMO C[C@H](NC(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000175693782 546334919 /nfs/dbraw/zinc/33/49/19/546334919.db2.gz OBFHZZVQHCSWPT-KEYYUXOJSA-N 1 1 362.430 2.018 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176816211 546492755 /nfs/dbraw/zinc/49/27/55/546492755.db2.gz DUFCNZMJHLCCBR-GXTWGEPZSA-N 1 1 357.414 2.273 20 5 FEBDMO CN(CC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000177070650 546539734 /nfs/dbraw/zinc/53/97/34/546539734.db2.gz STTANMSHRNKEMU-UHFFFAOYSA-N 1 1 374.416 2.418 20 5 FEBDMO Cc1c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000177217297 546572728 /nfs/dbraw/zinc/57/27/28/546572728.db2.gz XPSXTWCAXCLLHS-SKDRFNHKSA-N 1 1 362.386 2.475 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](c2ccccc2)C1 ZINC000481829952 561243501 /nfs/dbraw/zinc/24/35/01/561243501.db2.gz MZBLZMMYPFELSH-AEFFLSMTSA-N 1 1 357.385 2.490 20 5 FEBDMO CC(C)(C(=O)NCCCC[N@H+]1CCC[C@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000481965270 561246301 /nfs/dbraw/zinc/24/63/01/561246301.db2.gz GHNSHBMDSVYSDB-HNNXBMFYSA-N 1 1 363.458 2.226 20 5 FEBDMO O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000180734643 547169072 /nfs/dbraw/zinc/16/90/72/547169072.db2.gz HHNSURSUXMCHCD-HDICACEKSA-N 1 1 365.389 2.212 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000180840572 547190231 /nfs/dbraw/zinc/19/02/31/547190231.db2.gz PBVXNEMOOJFATN-JTQLQIEISA-N 1 1 355.341 2.410 20 5 FEBDMO COCC[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000181072266 547242782 /nfs/dbraw/zinc/24/27/82/547242782.db2.gz OBPNRKWXZAOJGR-UHFFFAOYSA-N 1 1 355.460 2.403 20 5 FEBDMO COc1ccc2c(c1)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC2 ZINC000181574595 547339369 /nfs/dbraw/zinc/33/93/69/547339369.db2.gz YKFGCBQPKLNTOJ-MRXNPFEDSA-N 1 1 358.394 2.401 20 5 FEBDMO COC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccccc1 ZINC000181657913 547354749 /nfs/dbraw/zinc/35/47/49/547354749.db2.gz VOEOUPRCBUXHRI-QGZVFWFLSA-N 1 1 355.394 2.461 20 5 FEBDMO O=C(CC[N@H+]1CCS[C@@H]2COCC[C@@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000181745820 547372804 /nfs/dbraw/zinc/37/28/04/547372804.db2.gz MIDCTNGZUAXHMG-LSDHHAIUSA-N 1 1 369.418 2.269 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000182099580 547437491 /nfs/dbraw/zinc/43/74/91/547437491.db2.gz SWPRIYHOCRUNFZ-GFCCVEGCSA-N 1 1 355.822 2.317 20 5 FEBDMO Cc1ccc(C[N@@H+](CCO)C[C@H](O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000182518637 547506701 /nfs/dbraw/zinc/50/67/01/547506701.db2.gz NONXRGMFSYVFGJ-KRWDZBQOSA-N 1 1 360.410 2.137 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182961749 547579471 /nfs/dbraw/zinc/57/94/71/547579471.db2.gz JLEAGDCZSAOKDF-VXGBXAGGSA-N 1 1 359.423 2.146 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183878275 547733242 /nfs/dbraw/zinc/73/32/42/547733242.db2.gz XJXDTGGHLSGTKT-KGLIPLIRSA-N 1 1 363.414 2.397 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000184258926 547796450 /nfs/dbraw/zinc/79/64/50/547796450.db2.gz KSIIAEJKYUEWNM-UHFFFAOYSA-N 1 1 363.439 2.146 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000184258926 547796455 /nfs/dbraw/zinc/79/64/55/547796455.db2.gz KSIIAEJKYUEWNM-UHFFFAOYSA-N 1 1 363.439 2.146 20 5 FEBDMO COc1cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c([N+](=O)[O-])cc1F ZINC000184287856 547800814 /nfs/dbraw/zinc/80/08/14/547800814.db2.gz XDWHSMQOLALFOM-UHFFFAOYSA-N 1 1 368.453 2.200 20 5 FEBDMO COc1cc(CN(C)CCN(C)C2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000184287856 547800817 /nfs/dbraw/zinc/80/08/17/547800817.db2.gz XDWHSMQOLALFOM-UHFFFAOYSA-N 1 1 368.453 2.200 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000484880120 561307729 /nfs/dbraw/zinc/30/77/29/561307729.db2.gz WZKDAQLBIDVLSG-OAGGEKHMSA-N 1 1 352.431 2.472 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC000484897803 561308130 /nfs/dbraw/zinc/30/81/30/561308130.db2.gz AGGAEHOWFNXJSN-UXLLHSPISA-N 1 1 352.431 2.472 20 5 FEBDMO O=[N+]([O-])c1ccn(C2CCN(c3cc[nH+]c(N4CCCCC4)n3)CC2)n1 ZINC000486019648 561335495 /nfs/dbraw/zinc/33/54/95/561335495.db2.gz WPQXTZXTAVZMRH-UHFFFAOYSA-N 1 1 357.418 2.413 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(CO)CC2)c([N+](=O)[O-])c1 ZINC000186935076 548223129 /nfs/dbraw/zinc/22/31/29/548223129.db2.gz DSPZCXRCNGTIND-GFCCVEGCSA-N 1 1 351.403 2.025 20 5 FEBDMO CC[N@H+]1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000194627966 548507592 /nfs/dbraw/zinc/50/75/92/548507592.db2.gz SBIYLTSPUKPQKQ-INIZCTEOSA-N 1 1 360.458 2.412 20 5 FEBDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000194630617 548508641 /nfs/dbraw/zinc/50/86/41/548508641.db2.gz AXCNAENKVPRKBI-OAHLLOKOSA-N 1 1 361.423 2.276 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)C1 ZINC000486883925 561358871 /nfs/dbraw/zinc/35/88/71/561358871.db2.gz KIAHDQVILSARFU-GFCCVEGCSA-N 1 1 364.402 2.153 20 5 FEBDMO CC(C)[C@@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487104350 561363887 /nfs/dbraw/zinc/36/38/87/561363887.db2.gz ZURSMPJJYXOXSQ-KRWDZBQOSA-N 1 1 371.441 2.336 20 5 FEBDMO CC(C)[C@@H]1CN(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487104350 561363888 /nfs/dbraw/zinc/36/38/88/561363888.db2.gz ZURSMPJJYXOXSQ-KRWDZBQOSA-N 1 1 371.441 2.336 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000245455395 548925059 /nfs/dbraw/zinc/92/50/59/548925059.db2.gz SOVQJEUUXUNSKJ-ZIAGYGMSSA-N 1 1 364.446 2.204 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000488020725 561381578 /nfs/dbraw/zinc/38/15/78/561381578.db2.gz BYPKQLZLYXXYTK-HRCADAONSA-N 1 1 352.431 2.472 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000488046113 561381987 /nfs/dbraw/zinc/38/19/87/561381987.db2.gz UPQFNXUXXVBJGT-XJKSGUPXSA-N 1 1 364.446 2.202 20 5 FEBDMO C[C@@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1n1ccnc1 ZINC000245680226 548973469 /nfs/dbraw/zinc/97/34/69/548973469.db2.gz OZZSLQLNRVNXMQ-RDTXWAMCSA-N 1 1 369.425 2.264 20 5 FEBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1n1ccnc1 ZINC000245680226 548973473 /nfs/dbraw/zinc/97/34/73/548973473.db2.gz OZZSLQLNRVNXMQ-RDTXWAMCSA-N 1 1 369.425 2.264 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@H](O)COC[C@H]2CCCO2)C2CC2)cc1 ZINC000245910232 549017426 /nfs/dbraw/zinc/01/74/26/549017426.db2.gz VLOLPNIIFNQKBE-ZWKOTPCHSA-N 1 1 350.415 2.116 20 5 FEBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246088937 549048629 /nfs/dbraw/zinc/04/86/29/549048629.db2.gz GNVAMXNLAIZKRO-JKSUJKDBSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246088937 549048631 /nfs/dbraw/zinc/04/86/31/549048631.db2.gz GNVAMXNLAIZKRO-JKSUJKDBSA-N 1 1 356.444 2.261 20 5 FEBDMO CC[N@@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccccc1 ZINC000488933402 561399875 /nfs/dbraw/zinc/39/98/75/561399875.db2.gz BNPBQOURWVBMNA-IRXDYDNUSA-N 1 1 358.398 2.115 20 5 FEBDMO CC[N@H+]1CCO[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)[C@@H]1c1ccccc1 ZINC000488933402 561399876 /nfs/dbraw/zinc/39/98/76/561399876.db2.gz BNPBQOURWVBMNA-IRXDYDNUSA-N 1 1 358.398 2.115 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000488983874 561400964 /nfs/dbraw/zinc/40/09/64/561400964.db2.gz PUJIPVSMJBNOBT-CQSZACIVSA-N 1 1 364.446 2.240 20 5 FEBDMO O=C(Nc1c[nH+]ccc1-n1cccn1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000489001718 561401335 /nfs/dbraw/zinc/40/13/35/561401335.db2.gz XYKMZIQPQKOGIM-UHFFFAOYSA-N 1 1 353.294 2.157 20 5 FEBDMO CC[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC[N@H+]1C[C@H](C)O ZINC000247098426 549282984 /nfs/dbraw/zinc/28/29/84/549282984.db2.gz QFRJOFGYRUVFQJ-JSGCOSHPSA-N 1 1 350.419 2.212 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247161364 549292200 /nfs/dbraw/zinc/29/22/00/549292200.db2.gz UFMGSBOTGSGJTC-UONOGXRCSA-N 1 1 353.444 2.008 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000247335541 549320246 /nfs/dbraw/zinc/32/02/46/549320246.db2.gz HGGGPXOKZYKHJK-WCQYABFASA-N 1 1 373.862 2.353 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000247923381 549392320 /nfs/dbraw/zinc/39/23/20/549392320.db2.gz CGDKQXUJEYFJJM-CVEARBPZSA-N 1 1 367.471 2.026 20 5 FEBDMO CC(C)[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)CC[N@H+]1C ZINC000489309948 561407757 /nfs/dbraw/zinc/40/77/57/561407757.db2.gz BMQLLNCTWGHKPH-INIZCTEOSA-N 1 1 372.425 2.320 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000248217516 549416641 /nfs/dbraw/zinc/41/66/41/549416641.db2.gz ZXIFFHZGVQKQKR-RDTXWAMCSA-N 1 1 369.425 2.337 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CCO[C@H]1C ZINC000489472065 561412393 /nfs/dbraw/zinc/41/23/93/561412393.db2.gz BVCZWGZEUTYOAJ-WMLDXEAASA-N 1 1 365.430 2.358 20 5 FEBDMO O=C([C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000255226999 549704058 /nfs/dbraw/zinc/70/40/58/549704058.db2.gz LKACMHOVNDOMDX-LZCIBIBXSA-N 1 1 359.426 2.321 20 5 FEBDMO O=C([C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000255226999 549704060 /nfs/dbraw/zinc/70/40/60/549704060.db2.gz LKACMHOVNDOMDX-LZCIBIBXSA-N 1 1 359.426 2.321 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000266107266 550017257 /nfs/dbraw/zinc/01/72/57/550017257.db2.gz LVOHGQRQNYMRSV-INIZCTEOSA-N 1 1 373.413 2.163 20 5 FEBDMO CCc1nc(CN(C(C)=O)[C@H]2CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000266107266 550017258 /nfs/dbraw/zinc/01/72/58/550017258.db2.gz LVOHGQRQNYMRSV-INIZCTEOSA-N 1 1 373.413 2.163 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270912042 550320270 /nfs/dbraw/zinc/32/02/70/550320270.db2.gz OAWWTVQVLSVLID-DOMZBBRYSA-N 1 1 371.397 2.403 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270912042 550320274 /nfs/dbraw/zinc/32/02/74/550320274.db2.gz OAWWTVQVLSVLID-DOMZBBRYSA-N 1 1 371.397 2.403 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](C)CC2(C)C)cc1SC ZINC000270949001 550324603 /nfs/dbraw/zinc/32/46/03/550324603.db2.gz UYBUTKRVCLNOFI-UHFFFAOYSA-N 1 1 353.444 2.492 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1SC ZINC000270949001 550324606 /nfs/dbraw/zinc/32/46/06/550324606.db2.gz UYBUTKRVCLNOFI-UHFFFAOYSA-N 1 1 353.444 2.492 20 5 FEBDMO COCCC[N@@H+](CCOC)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000271128227 550343397 /nfs/dbraw/zinc/34/33/97/550343397.db2.gz OCJICIOMWFYGQM-UHFFFAOYSA-N 1 1 362.430 2.480 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c([N+](=O)[O-])cc1OC ZINC000271152779 550345333 /nfs/dbraw/zinc/34/53/33/550345333.db2.gz LTJIMAXRNBXOJZ-LBPRGKRZSA-N 1 1 352.387 2.197 20 5 FEBDMO COCCOC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000271174207 550348127 /nfs/dbraw/zinc/34/81/27/550348127.db2.gz GGLYPAACOWRNTN-CYBMUJFWSA-N 1 1 354.403 2.097 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000271433940 550375106 /nfs/dbraw/zinc/37/51/06/550375106.db2.gz SCITVNPMFGOUJG-HOCLYGCPSA-N 1 1 371.441 2.453 20 5 FEBDMO COC(=O)C1(O)CC[NH+](Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000271436956 550375377 /nfs/dbraw/zinc/37/53/77/550375377.db2.gz UOJZOPYGGXMVER-UHFFFAOYSA-N 1 1 367.401 2.446 20 5 FEBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000272252730 550431647 /nfs/dbraw/zinc/43/16/47/550431647.db2.gz CEWIQPLRMUUPEP-ZWNOBZJWSA-N 1 1 360.357 2.450 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000272295007 550434952 /nfs/dbraw/zinc/43/49/52/550434952.db2.gz HSFJEUWCZJLNAS-RNCFNFMXSA-N 1 1 355.341 2.409 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@H]2C1 ZINC000272551462 550457498 /nfs/dbraw/zinc/45/74/98/550457498.db2.gz CYJCTYSUUQNRHX-KXBFYZLASA-N 1 1 372.469 2.364 20 5 FEBDMO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000274795163 550555121 /nfs/dbraw/zinc/55/51/21/550555121.db2.gz IWHQNVMYDZRBQO-CYBMUJFWSA-N 1 1 364.402 2.004 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCCn4ccnc4)CC3)nc2c1 ZINC000274864238 550560846 /nfs/dbraw/zinc/56/08/46/550560846.db2.gz VDENPOGAXOVZOA-UHFFFAOYSA-N 1 1 369.429 2.270 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[N@H+](C)CCN(C)C ZINC000494841263 561477721 /nfs/dbraw/zinc/47/77/21/561477721.db2.gz AFSNVNNNFLNAFM-UHFFFAOYSA-N 1 1 350.463 2.133 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCN(C)CC[NH+](C)C ZINC000494841263 561477722 /nfs/dbraw/zinc/47/77/22/561477722.db2.gz AFSNVNNNFLNAFM-UHFFFAOYSA-N 1 1 350.463 2.133 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000277490316 550677045 /nfs/dbraw/zinc/67/70/45/550677045.db2.gz NRYFQLYFIFIFAI-INIZCTEOSA-N 1 1 353.444 2.031 20 5 FEBDMO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000277676273 550700192 /nfs/dbraw/zinc/70/01/92/550700192.db2.gz FYXHYGTYWWKXOE-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO CCC[C@]1(CO)CCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000277676273 550700194 /nfs/dbraw/zinc/70/01/94/550700194.db2.gz FYXHYGTYWWKXOE-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO NC(=O)c1ccc(C[NH+]2CCC(Oc3ncccc3F)CC2)c([N+](=O)[O-])c1 ZINC000278424234 550784502 /nfs/dbraw/zinc/78/45/02/550784502.db2.gz ZQLFILLSTAXZMA-UHFFFAOYSA-N 1 1 374.372 2.271 20 5 FEBDMO Cc1nn(C)c(C)c1C[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278433478 550785610 /nfs/dbraw/zinc/78/56/10/550785610.db2.gz PVAHHQJLYNJVPX-UHFFFAOYSA-N 1 1 370.457 2.235 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000278572150 550800455 /nfs/dbraw/zinc/80/04/55/550800455.db2.gz NRIQKUJPFPTCGI-KBPBESRZSA-N 1 1 350.419 2.130 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000278827889 550826413 /nfs/dbraw/zinc/82/64/13/550826413.db2.gz UQXXSTHEGJCMLO-ZDUSSCGKSA-N 1 1 374.441 2.169 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000496272251 561493307 /nfs/dbraw/zinc/49/33/07/561493307.db2.gz OADDNVYTRHXWHD-OAHLLOKOSA-N 1 1 357.414 2.445 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000282028526 551171728 /nfs/dbraw/zinc/17/17/28/551171728.db2.gz ZOESGLVGLWUFNI-UHFFFAOYSA-N 1 1 363.462 2.359 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@H]1C ZINC000497514251 561502832 /nfs/dbraw/zinc/50/28/32/561502832.db2.gz BRIAMIOYYIQBRF-KGLIPLIRSA-N 1 1 371.441 2.478 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C[C@H]1C ZINC000497514251 561502833 /nfs/dbraw/zinc/50/28/33/561502833.db2.gz BRIAMIOYYIQBRF-KGLIPLIRSA-N 1 1 371.441 2.478 20 5 FEBDMO C[N@@H+]1CCN(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1(C)C ZINC000282475001 551234400 /nfs/dbraw/zinc/23/44/00/551234400.db2.gz UZHJYIDNLHSDNH-UHFFFAOYSA-N 1 1 372.416 2.312 20 5 FEBDMO C[N@H+]1CCN(CCNCc2cc([N+](=O)[O-])ccc2OC(F)F)CC1(C)C ZINC000282475001 551234403 /nfs/dbraw/zinc/23/44/03/551234403.db2.gz UZHJYIDNLHSDNH-UHFFFAOYSA-N 1 1 372.416 2.312 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000282852750 551277687 /nfs/dbraw/zinc/27/76/87/551277687.db2.gz SJPWAKJVOLHNFN-AWEZNQCLSA-N 1 1 365.430 2.224 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000285450638 551758838 /nfs/dbraw/zinc/75/88/38/551758838.db2.gz YKQPKHFKQQWLBJ-SFHVURJKSA-N 1 1 363.414 2.113 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000287488034 552010761 /nfs/dbraw/zinc/01/07/61/552010761.db2.gz SPXYBOVXDLIPHD-HNNXBMFYSA-N 1 1 374.441 2.176 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000499462497 561551640 /nfs/dbraw/zinc/55/16/40/561551640.db2.gz FUGHLOJTIVVZJG-OAHLLOKOSA-N 1 1 353.394 2.307 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000499462497 561551641 /nfs/dbraw/zinc/55/16/41/561551641.db2.gz FUGHLOJTIVVZJG-OAHLLOKOSA-N 1 1 353.394 2.307 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288226130 552114028 /nfs/dbraw/zinc/11/40/28/552114028.db2.gz DBSBPYMTZIOTND-JTQLQIEISA-N 1 1 350.375 2.286 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000288226130 552114031 /nfs/dbraw/zinc/11/40/31/552114031.db2.gz DBSBPYMTZIOTND-JTQLQIEISA-N 1 1 350.375 2.286 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000288919318 552236086 /nfs/dbraw/zinc/23/60/86/552236086.db2.gz VNNIWCSLLVJIDX-NSHDSACASA-N 1 1 370.837 2.423 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000500151417 561567008 /nfs/dbraw/zinc/56/70/08/561567008.db2.gz AEJAWTOHNMISSA-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000500437227 561572931 /nfs/dbraw/zinc/57/29/31/561572931.db2.gz PDLCETHDJVBZMS-JKSUJKDBSA-N 1 1 371.441 2.303 20 5 FEBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688376 552362694 /nfs/dbraw/zinc/36/26/94/552362694.db2.gz ODKDYJOSCCFPMD-WFASDCNBSA-N 1 1 371.384 2.491 20 5 FEBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688376 552362696 /nfs/dbraw/zinc/36/26/96/552362696.db2.gz ODKDYJOSCCFPMD-WFASDCNBSA-N 1 1 371.384 2.491 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccccc1 ZINC000500982724 561586974 /nfs/dbraw/zinc/58/69/74/561586974.db2.gz HOQVGMOMVGAXOI-UHFFFAOYSA-N 1 1 370.409 2.172 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000501105272 561590113 /nfs/dbraw/zinc/59/01/13/561590113.db2.gz IPSUXHAXYKPCTN-CYBMUJFWSA-N 1 1 364.446 2.423 20 5 FEBDMO C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[N@H+]1CCO ZINC000501105272 561590114 /nfs/dbraw/zinc/59/01/14/561590114.db2.gz IPSUXHAXYKPCTN-CYBMUJFWSA-N 1 1 364.446 2.423 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000291232694 552603941 /nfs/dbraw/zinc/60/39/41/552603941.db2.gz ITTFUMLGCAEUHE-TZMCWYRMSA-N 1 1 362.430 2.037 20 5 FEBDMO C[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000292271102 552710934 /nfs/dbraw/zinc/71/09/34/552710934.db2.gz GEPZBYZNTGUDKB-IIAWOOMASA-N 1 1 362.430 2.160 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292805591 552760267 /nfs/dbraw/zinc/76/02/67/552760267.db2.gz MRGCSJIZCLKUQN-QGZVFWFLSA-N 1 1 367.471 2.318 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)C[C@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000292945876 552773889 /nfs/dbraw/zinc/77/38/89/552773889.db2.gz ABUCTTMMXDBFJH-OAHLLOKOSA-N 1 1 373.409 2.077 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000292945876 552773891 /nfs/dbraw/zinc/77/38/91/552773891.db2.gz ABUCTTMMXDBFJH-OAHLLOKOSA-N 1 1 373.409 2.077 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](CO)CC1 ZINC000293114364 552790267 /nfs/dbraw/zinc/79/02/67/552790267.db2.gz LVWWMVZSUHBDII-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293324868 552811504 /nfs/dbraw/zinc/81/15/04/552811504.db2.gz MHQCZHGGVYDBKT-QGZVFWFLSA-N 1 1 357.410 2.377 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293324868 552811507 /nfs/dbraw/zinc/81/15/07/552811507.db2.gz MHQCZHGGVYDBKT-QGZVFWFLSA-N 1 1 357.410 2.377 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000501618527 561602371 /nfs/dbraw/zinc/60/23/71/561602371.db2.gz JHFCNGRSPZOSOE-ZIAGYGMSSA-N 1 1 357.414 2.063 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000501618527 561602372 /nfs/dbraw/zinc/60/23/72/561602372.db2.gz JHFCNGRSPZOSOE-ZIAGYGMSSA-N 1 1 357.414 2.063 20 5 FEBDMO COc1cc(C[NH+]2CCC3(CC2)OCCCO3)c([N+](=O)[O-])cc1OC ZINC000293565771 552835825 /nfs/dbraw/zinc/83/58/25/552835825.db2.gz GNBRKMAGDQNZSH-UHFFFAOYSA-N 1 1 352.387 2.341 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c(C)cc(C)c([N+](=O)[O-])c3C)[C@H]2C1 ZINC000293938889 552869663 /nfs/dbraw/zinc/86/96/63/552869663.db2.gz QQTGPVUGKJCRJY-JKSUJKDBSA-N 1 1 361.442 2.455 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000501614370 561602051 /nfs/dbraw/zinc/60/20/51/561602051.db2.gz IUDSLDSOWDKTJJ-CYBMUJFWSA-N 1 1 367.450 2.014 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2[nH]nc(C(C)C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000501614370 561602052 /nfs/dbraw/zinc/60/20/52/561602052.db2.gz IUDSLDSOWDKTJJ-CYBMUJFWSA-N 1 1 367.450 2.014 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000501614370 561602053 /nfs/dbraw/zinc/60/20/53/561602053.db2.gz IUDSLDSOWDKTJJ-CYBMUJFWSA-N 1 1 367.450 2.014 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000501614370 561602054 /nfs/dbraw/zinc/60/20/54/561602054.db2.gz IUDSLDSOWDKTJJ-CYBMUJFWSA-N 1 1 367.450 2.014 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501778867 561605405 /nfs/dbraw/zinc/60/54/05/561605405.db2.gz WPEISYRFHCLSHM-IRXDYDNUSA-N 1 1 370.453 2.351 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000295112700 552959971 /nfs/dbraw/zinc/95/99/71/552959971.db2.gz YLNYHLLQMOJYLT-LBPRGKRZSA-N 1 1 368.865 2.170 20 5 FEBDMO Cc1c(C[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000296807503 553214480 /nfs/dbraw/zinc/21/44/80/553214480.db2.gz RFJFVJCFQIEMGG-AWEZNQCLSA-N 1 1 353.419 2.221 20 5 FEBDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297574646 553310589 /nfs/dbraw/zinc/31/05/89/553310589.db2.gz SGYNODIACWUHNO-OCCSQVGLSA-N 1 1 353.444 2.061 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297574646 553310590 /nfs/dbraw/zinc/31/05/90/553310590.db2.gz SGYNODIACWUHNO-OCCSQVGLSA-N 1 1 353.444 2.061 20 5 FEBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297923484 553357980 /nfs/dbraw/zinc/35/79/80/553357980.db2.gz QPKGJAWMTGDPBB-CHWSQXEVSA-N 1 1 351.403 2.431 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000298708019 553461276 /nfs/dbraw/zinc/46/12/76/553461276.db2.gz GTXHJHIIBNFLDI-SECBINFHSA-N 1 1 362.329 2.446 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000298746326 553467470 /nfs/dbraw/zinc/46/74/70/553467470.db2.gz WGNPCSOMTONOSK-LBPRGKRZSA-N 1 1 367.402 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000298746326 553467471 /nfs/dbraw/zinc/46/74/71/553467471.db2.gz WGNPCSOMTONOSK-LBPRGKRZSA-N 1 1 367.402 2.204 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000503683455 561646724 /nfs/dbraw/zinc/64/67/24/561646724.db2.gz KOZYDQRGWSPQSZ-UHFFFAOYSA-N 1 1 365.393 2.429 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C2CC2)CC1 ZINC000299321319 553547666 /nfs/dbraw/zinc/54/76/66/553547666.db2.gz HZHJNZVSUXOPKT-LLVKDONJSA-N 1 1 352.822 2.355 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000504302885 561655996 /nfs/dbraw/zinc/65/59/96/561655996.db2.gz PXLWLGQYSTXSDP-HOTGVXAUSA-N 1 1 373.457 2.053 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000301166111 553627567 /nfs/dbraw/zinc/62/75/67/553627567.db2.gz INFOFFOWMSCAQS-CYBMUJFWSA-N 1 1 357.414 2.142 20 5 FEBDMO C[N@H+]1CCC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301230293 553633275 /nfs/dbraw/zinc/63/32/75/553633275.db2.gz FBQRGIPPTMFOGD-SNVBAGLBSA-N 1 1 363.386 2.345 20 5 FEBDMO CCNC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301431302 553651629 /nfs/dbraw/zinc/65/16/29/553651629.db2.gz GOLJWIIGZMBITN-UHFFFAOYSA-N 1 1 374.363 2.262 20 5 FEBDMO CCNC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000301431302 553651631 /nfs/dbraw/zinc/65/16/31/553651631.db2.gz GOLJWIIGZMBITN-UHFFFAOYSA-N 1 1 374.363 2.262 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000301792525 553679823 /nfs/dbraw/zinc/67/98/23/553679823.db2.gz RGTYWYRMAPTFJA-SUMWQHHRSA-N 1 1 358.442 2.408 20 5 FEBDMO COc1cccc([C@@H]2[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)CC[N@H+]2C2CC2)c1 ZINC000302031211 553699027 /nfs/dbraw/zinc/69/90/27/553699027.db2.gz IKWOTLZGEOGKOG-GOEBONIOSA-N 1 1 370.413 2.366 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000330925453 554189611 /nfs/dbraw/zinc/18/96/11/554189611.db2.gz UUCWCDSGQNQPTJ-AWEZNQCLSA-N 1 1 355.460 2.398 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000330996644 554198895 /nfs/dbraw/zinc/19/88/95/554198895.db2.gz OUCUEDKFGPCSAG-OAHLLOKOSA-N 1 1 354.838 2.459 20 5 FEBDMO Cn1c2ccc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2oc1=O ZINC000508680512 561769390 /nfs/dbraw/zinc/76/93/90/561769390.db2.gz POXJUVUKSGWXCH-ZDUSSCGKSA-N 1 1 369.381 2.121 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cnn(CC(F)F)c3)C2)nc1 ZINC000508676027 561769401 /nfs/dbraw/zinc/76/94/01/561769401.db2.gz BYVXPOMBSXVVDH-LBPRGKRZSA-N 1 1 352.345 2.138 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cnn(CC(F)F)c3)C2)nc1 ZINC000508676027 561769402 /nfs/dbraw/zinc/76/94/02/561769402.db2.gz BYVXPOMBSXVVDH-LBPRGKRZSA-N 1 1 352.345 2.138 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000331450520 554266766 /nfs/dbraw/zinc/26/67/66/554266766.db2.gz FOUFBFMXNCWDQX-OTYXRUKQSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000331450520 554266767 /nfs/dbraw/zinc/26/67/67/554266767.db2.gz FOUFBFMXNCWDQX-OTYXRUKQSA-N 1 1 373.862 2.318 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000332028471 554366380 /nfs/dbraw/zinc/36/63/80/554366380.db2.gz JGJVTEGGZKFQJL-GOEBONIOSA-N 1 1 360.458 2.289 20 5 FEBDMO Cc1c(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000362290413 554960908 /nfs/dbraw/zinc/96/09/08/554960908.db2.gz RODBERZZWFBKRK-DOMZBBRYSA-N 1 1 362.386 2.286 20 5 FEBDMO Cc1cc(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363257805 555065517 /nfs/dbraw/zinc/06/55/17/555065517.db2.gz BAFDXXXRLWUIHS-LXZKKBNFSA-N 1 1 365.455 2.008 20 5 FEBDMO O=C(C[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000363384740 555091844 /nfs/dbraw/zinc/09/18/44/555091844.db2.gz OXWPFKNIUZRPKE-UHFFFAOYSA-N 1 1 350.394 2.233 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458203 555110832 /nfs/dbraw/zinc/11/08/32/555110832.db2.gz ZAWUNTMONOLGTD-RYUDHWBXSA-N 1 1 354.794 2.233 20 5 FEBDMO COC(=O)c1cn([C@H]2CCC[N@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000363994528 555229823 /nfs/dbraw/zinc/22/98/23/555229823.db2.gz BMGXNGKLLAPLCB-DOMZBBRYSA-N 1 1 359.386 2.371 20 5 FEBDMO COCC[C@@H]1CCCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364138646 555257127 /nfs/dbraw/zinc/25/71/27/555257127.db2.gz KIWLXWSLAPYLJM-DOTOQJQBSA-N 1 1 352.431 2.473 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000364335439 555293604 /nfs/dbraw/zinc/29/36/04/555293604.db2.gz IZOYVHLDZYWNKK-GDBMZVCRSA-N 1 1 361.358 2.070 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1[N+](=O)[O-] ZINC000364653936 555364202 /nfs/dbraw/zinc/36/42/02/555364202.db2.gz WFPXIWUJQIKYEQ-SMDDNHRTSA-N 1 1 363.443 2.121 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365793160 555668703 /nfs/dbraw/zinc/66/87/03/555668703.db2.gz FGILMWHEXBJQBF-JKSUJKDBSA-N 1 1 362.386 2.478 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365793160 555668707 /nfs/dbraw/zinc/66/87/07/555668707.db2.gz FGILMWHEXBJQBF-JKSUJKDBSA-N 1 1 362.386 2.478 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000366627088 555893884 /nfs/dbraw/zinc/89/38/84/555893884.db2.gz LRNPDFGXRRJVSG-UHFFFAOYSA-N 1 1 374.397 2.294 20 5 FEBDMO O=C([C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000366657697 555901375 /nfs/dbraw/zinc/90/13/75/555901375.db2.gz SEJQKAXKGUHJBY-AEFFLSMTSA-N 1 1 361.442 2.353 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2F)C[C@@H](C)O1 ZINC000366699641 555912060 /nfs/dbraw/zinc/91/20/60/555912060.db2.gz KGKORYMBRINTLU-MGPQQGTHSA-N 1 1 365.405 2.448 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514208769 561963874 /nfs/dbraw/zinc/96/38/74/561963874.db2.gz OODOPUHLUYTODG-GFCCVEGCSA-N 1 1 373.356 2.037 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000514317445 561965684 /nfs/dbraw/zinc/96/56/84/561965684.db2.gz PTYBQEHIFAUZPK-DOTOQJQBSA-N 1 1 374.393 2.106 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000367830701 556149392 /nfs/dbraw/zinc/14/93/92/556149392.db2.gz IHWDFFPQHLRFEN-RDJZCZTQSA-N 1 1 363.458 2.283 20 5 FEBDMO C[N@H+]1CCCC12CCN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])CC2 ZINC000367830386 556149554 /nfs/dbraw/zinc/14/95/54/556149554.db2.gz HBXNNGJCFBXVAB-UHFFFAOYSA-N 1 1 359.473 2.124 20 5 FEBDMO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cs1 ZINC000367963637 556183982 /nfs/dbraw/zinc/18/39/82/556183982.db2.gz RLZXZFKKXDHVJG-ZDUSSCGKSA-N 1 1 367.452 2.209 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368034399 556200091 /nfs/dbraw/zinc/20/00/91/556200091.db2.gz FEMHCCROYKTVCM-UOIKSKOESA-N 1 1 352.394 2.037 20 5 FEBDMO COc1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000368578370 556351364 /nfs/dbraw/zinc/35/13/64/556351364.db2.gz MMWRKPAJUGVMEE-CYBMUJFWSA-N 1 1 362.386 2.351 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc(OC)c1O ZINC000368578370 556351367 /nfs/dbraw/zinc/35/13/67/556351367.db2.gz MMWRKPAJUGVMEE-CYBMUJFWSA-N 1 1 362.386 2.351 20 5 FEBDMO O=C(c1ccco1)N1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000368912103 556446104 /nfs/dbraw/zinc/44/61/04/556446104.db2.gz QXKZYDXJHOSFEZ-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO O=C(c1ccco1)N1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000368912103 556446106 /nfs/dbraw/zinc/44/61/06/556446106.db2.gz QXKZYDXJHOSFEZ-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO Nc1c(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc(F)cc1[N+](=O)[O-] ZINC000516075213 562029933 /nfs/dbraw/zinc/02/99/33/562029933.db2.gz AZSOHCSCLRWHDK-UHFFFAOYSA-N 1 1 372.400 2.317 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC(Nc3cccc(C)n3)CC2)c1[N+](=O)[O-] ZINC000369576454 556636030 /nfs/dbraw/zinc/63/60/30/556636030.db2.gz LUPABHWTMMKTLE-UHFFFAOYSA-N 1 1 358.402 2.300 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)c1[N+](=O)[O-] ZINC000369576454 556636035 /nfs/dbraw/zinc/63/60/35/556636035.db2.gz LUPABHWTMMKTLE-UHFFFAOYSA-N 1 1 358.402 2.300 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369657441 556661010 /nfs/dbraw/zinc/66/10/10/556661010.db2.gz BKOXKSQXZGNLGR-USXIJHARSA-N 1 1 374.441 2.229 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369815707 556702955 /nfs/dbraw/zinc/70/29/55/556702955.db2.gz FJDJVCGMMKEQQM-CQSZACIVSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928981 556733444 /nfs/dbraw/zinc/73/34/44/556733444.db2.gz GBAQPGZPIWEXGJ-HOCLYGCPSA-N 1 1 369.425 2.444 20 5 FEBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000369938054 556735453 /nfs/dbraw/zinc/73/54/53/556735453.db2.gz SISOFRXTGUCEQQ-MRXNPFEDSA-N 1 1 360.458 2.056 20 5 FEBDMO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000369938054 556735451 /nfs/dbraw/zinc/73/54/51/556735451.db2.gz SISOFRXTGUCEQQ-MRXNPFEDSA-N 1 1 360.458 2.056 20 5 FEBDMO O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000516548910 562047326 /nfs/dbraw/zinc/04/73/26/562047326.db2.gz PIXNVXPMOGZZDT-MANSERQUSA-N 1 1 373.453 2.458 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)o2)c(Cl)c1 ZINC000370401532 556861228 /nfs/dbraw/zinc/86/12/28/556861228.db2.gz YBXHQMZEXJWPLB-NEPJUHHUSA-N 1 1 352.774 2.436 20 5 FEBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000516858639 562061056 /nfs/dbraw/zinc/06/10/56/562061056.db2.gz RJDVDQABBGPHLE-HNNXBMFYSA-N 1 1 357.414 2.348 20 5 FEBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000370603929 556919707 /nfs/dbraw/zinc/91/97/07/556919707.db2.gz WZWCOCPFIMXUPD-OAHLLOKOSA-N 1 1 355.822 2.316 20 5 FEBDMO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]2N1 ZINC000370714216 556947251 /nfs/dbraw/zinc/94/72/51/556947251.db2.gz ADRXRVYZIZFBIS-GOEBONIOSA-N 1 1 373.434 2.413 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000370796780 556971830 /nfs/dbraw/zinc/97/18/30/556971830.db2.gz WBZCZHJOZZVEKC-AWEZNQCLSA-N 1 1 369.425 2.362 20 5 FEBDMO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000370927375 557019101 /nfs/dbraw/zinc/01/91/01/557019101.db2.gz IASNJQHMQRMEPH-KDOFPFPSSA-N 1 1 371.441 2.450 20 5 FEBDMO Cc1[nH+]c(CNC(=O)CN(C)c2ccccc2[N+](=O)[O-])c2n1CCCC2 ZINC000371356208 557158438 /nfs/dbraw/zinc/15/84/38/557158438.db2.gz WDWIGOQPMUSEPP-UHFFFAOYSA-N 1 1 357.414 2.189 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](Cc3cccc(Cl)c3)C2)c1 ZINC000371360887 557160559 /nfs/dbraw/zinc/16/05/59/557160559.db2.gz LDWVDLOJZCMZBC-RHSMWYFYSA-N 1 1 364.833 2.370 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@H+]2CC)cc([N+](=O)[O-])c1 ZINC000517641441 562094561 /nfs/dbraw/zinc/09/45/61/562094561.db2.gz PEZLTKFIRDUVDS-HNNXBMFYSA-N 1 1 363.414 2.376 20 5 FEBDMO Cc1ccc2c(c1)[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CO2 ZINC000517733062 562096736 /nfs/dbraw/zinc/09/67/36/562096736.db2.gz WVAWFQWVEUQTMG-INIZCTEOSA-N 1 1 362.407 2.400 20 5 FEBDMO COc1ccc(CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000518378553 562110092 /nfs/dbraw/zinc/11/00/92/562110092.db2.gz YQEAEWOUPJVDNT-ZDUSSCGKSA-N 1 1 350.419 2.135 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000372294407 557432236 /nfs/dbraw/zinc/43/22/36/557432236.db2.gz NBYKKKGXSUOOAX-HNNXBMFYSA-N 1 1 369.377 2.283 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000372294407 557432238 /nfs/dbraw/zinc/43/22/38/557432238.db2.gz NBYKKKGXSUOOAX-HNNXBMFYSA-N 1 1 369.377 2.283 20 5 FEBDMO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328930 557441356 /nfs/dbraw/zinc/44/13/56/557441356.db2.gz DJVXFYLMTQFEPT-CABCVRRESA-N 1 1 351.451 2.321 20 5 FEBDMO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328930 557441357 /nfs/dbraw/zinc/44/13/57/557441357.db2.gz DJVXFYLMTQFEPT-CABCVRRESA-N 1 1 351.451 2.321 20 5 FEBDMO CCOc1cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000520318399 562153460 /nfs/dbraw/zinc/15/34/60/562153460.db2.gz LXYQLMBVZWBDTF-ZDUSSCGKSA-N 1 1 363.414 2.311 20 5 FEBDMO COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581453 557722154 /nfs/dbraw/zinc/72/21/54/557722154.db2.gz FDJKYXMLILNBLV-OAHLLOKOSA-N 1 1 373.413 2.466 20 5 FEBDMO CO[C@@H](C)c1nc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cs1 ZINC000520398088 562155418 /nfs/dbraw/zinc/15/54/18/562155418.db2.gz QPLUTETXLZVDKX-AAEUAGOBSA-N 1 1 367.427 2.288 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000373757803 557752780 /nfs/dbraw/zinc/75/27/80/557752780.db2.gz BJJHLAMYCFBABN-HNNXBMFYSA-N 1 1 362.474 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000373757803 557752783 /nfs/dbraw/zinc/75/27/83/557752783.db2.gz BJJHLAMYCFBABN-HNNXBMFYSA-N 1 1 362.474 2.204 20 5 FEBDMO COc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1C ZINC000374609944 557906593 /nfs/dbraw/zinc/90/65/93/557906593.db2.gz HCQMKZQUFXNEIG-IRXDYDNUSA-N 1 1 360.414 2.306 20 5 FEBDMO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374884404 557945713 /nfs/dbraw/zinc/94/57/13/557945713.db2.gz VFOWLQBCTZBJPA-GOEBONIOSA-N 1 1 366.425 2.960 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1SC ZINC000375066556 557972981 /nfs/dbraw/zinc/97/29/81/557972981.db2.gz RWPQNRNQCBVEQR-RISCZKNCSA-N 1 1 365.455 2.492 20 5 FEBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1c[nH+]c2n1CCCC2 ZINC000375181807 557988366 /nfs/dbraw/zinc/98/83/66/557988366.db2.gz PZERSZGWQBTFMD-UHFFFAOYSA-N 1 1 358.402 2.039 20 5 FEBDMO C[C@@H]1[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000375246581 557998152 /nfs/dbraw/zinc/99/81/52/557998152.db2.gz WKNAAHZGLBMKLT-AWEZNQCLSA-N 1 1 368.455 2.260 20 5 FEBDMO C[C@@H]1[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000375246581 557998154 /nfs/dbraw/zinc/99/81/54/557998154.db2.gz WKNAAHZGLBMKLT-AWEZNQCLSA-N 1 1 368.455 2.260 20 5 FEBDMO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000375967804 558106939 /nfs/dbraw/zinc/10/69/39/558106939.db2.gz GCKKTGPWHVPQOA-MRXNPFEDSA-N 1 1 351.366 2.088 20 5 FEBDMO COC(=O)c1cc(C)nc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000376397107 558167940 /nfs/dbraw/zinc/16/79/40/558167940.db2.gz QTLVAHZJGIVGRV-CYBMUJFWSA-N 1 1 373.413 2.277 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@]2(CCCCO2)C1 ZINC000376468315 558176922 /nfs/dbraw/zinc/17/69/22/558176922.db2.gz JZQASFZADKDXBQ-CRAIPNDOSA-N 1 1 350.415 2.370 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@H]21 ZINC000376971117 558246375 /nfs/dbraw/zinc/24/63/75/558246375.db2.gz FVIBRDMQGJPABW-BLLLJJGKSA-N 1 1 350.394 2.089 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000521988634 562188232 /nfs/dbraw/zinc/18/82/32/562188232.db2.gz MGCGUGNXWONDRK-CQSZACIVSA-N 1 1 369.381 2.182 20 5 FEBDMO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377497351 558351665 /nfs/dbraw/zinc/35/16/65/558351665.db2.gz WCKPQGBIKRLQJQ-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000377497351 558351667 /nfs/dbraw/zinc/35/16/67/558351667.db2.gz WCKPQGBIKRLQJQ-SCLBCKFNSA-N 1 1 365.430 2.415 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000378517770 558573453 /nfs/dbraw/zinc/57/34/53/558573453.db2.gz JRMJJXYMFVORSU-AWEZNQCLSA-N 1 1 367.413 2.493 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000378517770 558573455 /nfs/dbraw/zinc/57/34/55/558573455.db2.gz JRMJJXYMFVORSU-AWEZNQCLSA-N 1 1 367.413 2.493 20 5 FEBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000378577416 558587681 /nfs/dbraw/zinc/58/76/81/558587681.db2.gz DPTCOHXWZYYJHK-ZDUSSCGKSA-N 1 1 358.402 2.428 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603877 558592339 /nfs/dbraw/zinc/59/23/39/558592339.db2.gz FDTZJOBXGXOLBF-GOEBONIOSA-N 1 1 371.441 2.311 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000378603879 558592500 /nfs/dbraw/zinc/59/25/00/558592500.db2.gz FDTZJOBXGXOLBF-ZBFHGGJFSA-N 1 1 371.441 2.311 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000411211565 558853857 /nfs/dbraw/zinc/85/38/57/558853857.db2.gz IGTFEKAMGUVCQT-AWEZNQCLSA-N 1 1 374.441 2.283 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000411254309 558861561 /nfs/dbraw/zinc/86/15/61/558861561.db2.gz FSYZIZXIFCPYSH-AWEZNQCLSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc(NC(=O)CCN(C)[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000411254309 558861562 /nfs/dbraw/zinc/86/15/62/558861562.db2.gz FSYZIZXIFCPYSH-AWEZNQCLSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc(NC(=O)CCN(C)[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000411254309 558861564 /nfs/dbraw/zinc/86/15/64/558861564.db2.gz FSYZIZXIFCPYSH-AWEZNQCLSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])c1 ZINC000411317741 558875585 /nfs/dbraw/zinc/87/55/85/558875585.db2.gz PDBWZGFXSCDUDD-CZUORRHYSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000411403192 558888508 /nfs/dbraw/zinc/88/85/08/558888508.db2.gz VVFYAEHDYNFMIZ-HNNXBMFYSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000411423719 558892177 /nfs/dbraw/zinc/89/21/77/558892177.db2.gz DJDYCGDZKKOQGO-CQSZACIVSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000411423719 558892178 /nfs/dbraw/zinc/89/21/78/558892178.db2.gz DJDYCGDZKKOQGO-CQSZACIVSA-N 1 1 359.386 2.492 20 5 FEBDMO CC(=O)NC1CCC([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000411509214 558907901 /nfs/dbraw/zinc/90/79/01/558907901.db2.gz CPZHDEBZHGGRFB-UHFFFAOYSA-N 1 1 362.430 2.303 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000411553118 558916317 /nfs/dbraw/zinc/91/63/17/558916317.db2.gz ICLMYRBHQKDZOY-HACGYAERSA-N 1 1 374.441 2.030 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000411601522 558927124 /nfs/dbraw/zinc/92/71/24/558927124.db2.gz ANWBWWQSPNGFCT-AVGNSLFASA-N 1 1 351.403 2.430 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCO[C@H]1C ZINC000411655728 558937002 /nfs/dbraw/zinc/93/70/02/558937002.db2.gz MKVMXJBOHHXSPV-DZGCQCFKSA-N 1 1 351.403 2.049 20 5 FEBDMO CC[C@H]1[C@H](CO)CC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411776767 558960515 /nfs/dbraw/zinc/96/05/15/558960515.db2.gz XOHSFVWOSFBBEQ-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1F ZINC000412122669 559015644 /nfs/dbraw/zinc/01/56/44/559015644.db2.gz GRMNLQBLRWLOEK-AAEUAGOBSA-N 1 1 353.394 2.084 20 5 FEBDMO CC(C)Oc1cc(C(=O)NCc2c[nH+]c(N(C)C)n2C)ccc1[N+](=O)[O-] ZINC000412128524 559015930 /nfs/dbraw/zinc/01/59/30/559015930.db2.gz TWHJELRSEHKTME-UHFFFAOYSA-N 1 1 361.402 2.112 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412178817 559018568 /nfs/dbraw/zinc/01/85/68/559018568.db2.gz UBMUUUOSTWIBDG-AYOQOUSVSA-N 1 1 374.485 2.088 20 5 FEBDMO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000412693323 559050858 /nfs/dbraw/zinc/05/08/58/559050858.db2.gz FNYOPLILRADBMZ-CYBMUJFWSA-N 1 1 356.382 2.042 20 5 FEBDMO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000412693323 559050859 /nfs/dbraw/zinc/05/08/59/559050859.db2.gz FNYOPLILRADBMZ-CYBMUJFWSA-N 1 1 356.382 2.042 20 5 FEBDMO C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000413527834 559114386 /nfs/dbraw/zinc/11/43/86/559114386.db2.gz BYJIHOVKGDPICU-CQSZACIVSA-N 1 1 354.410 2.404 20 5 FEBDMO C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000413527833 559114391 /nfs/dbraw/zinc/11/43/91/559114391.db2.gz BYJIHOVKGDPICU-AWEZNQCLSA-N 1 1 354.410 2.404 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000420292292 559479066 /nfs/dbraw/zinc/47/90/66/559479066.db2.gz LQAXRGCEBKRQDZ-JKSUJKDBSA-N 1 1 360.458 2.108 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCNCC2)C1 ZINC000420292292 559479067 /nfs/dbraw/zinc/47/90/67/559479067.db2.gz LQAXRGCEBKRQDZ-JKSUJKDBSA-N 1 1 360.458 2.108 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402124 559485743 /nfs/dbraw/zinc/48/57/43/559485743.db2.gz QGGKEEZZYOLKRN-HOCLYGCPSA-N 1 1 374.441 2.357 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421015622 559519712 /nfs/dbraw/zinc/51/97/12/559519712.db2.gz LPSIPUUBCSTCPS-AWEZNQCLSA-N 1 1 363.414 2.377 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000423949454 559647781 /nfs/dbraw/zinc/64/77/81/559647781.db2.gz MHKQDNKETAMFRO-UHFFFAOYSA-N 1 1 374.485 2.466 20 5 FEBDMO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)cc([N+](=O)[O-])c1C ZINC000423966425 559648277 /nfs/dbraw/zinc/64/82/77/559648277.db2.gz WOPGQICGIFNQJT-INIZCTEOSA-N 1 1 356.382 2.094 20 5 FEBDMO NC(=O)c1cccc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000425272634 559694274 /nfs/dbraw/zinc/69/42/74/559694274.db2.gz HDLDQWRDZSIBMN-MAUKXSAKSA-N 1 1 366.421 2.404 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000425290460 559694881 /nfs/dbraw/zinc/69/48/81/559694881.db2.gz XOHVZGOOMNDKSX-KBXCAEBGSA-N 1 1 358.442 2.361 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466914 559703743 /nfs/dbraw/zinc/70/37/43/559703743.db2.gz CFMALGVAUZBHDG-NWDGAFQWSA-N 1 1 372.263 2.244 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425498540 559705811 /nfs/dbraw/zinc/70/58/11/559705811.db2.gz GQMCEFPCKXYXAK-OAHLLOKOSA-N 1 1 358.402 2.160 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504071 559706195 /nfs/dbraw/zinc/70/61/95/559706195.db2.gz UWFKMFYAPUYRNC-UONOGXRCSA-N 1 1 358.402 2.159 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504071 559706196 /nfs/dbraw/zinc/70/61/96/559706196.db2.gz UWFKMFYAPUYRNC-UONOGXRCSA-N 1 1 358.402 2.159 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425504912 559706387 /nfs/dbraw/zinc/70/63/87/559706387.db2.gz XQAHCRWCBLKZHE-HNNXBMFYSA-N 1 1 358.402 2.160 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180027 559853608 /nfs/dbraw/zinc/85/36/08/559853608.db2.gz TXRJDOXHQGUFOZ-DZGCQCFKSA-N 1 1 372.425 2.320 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433061224 559870834 /nfs/dbraw/zinc/87/08/34/559870834.db2.gz OKDGDFCVYXHTFP-RDTXWAMCSA-N 1 1 357.410 2.457 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433323234 559877093 /nfs/dbraw/zinc/87/70/93/559877093.db2.gz VPLNLHVAYXRDJN-BBRMVZONSA-N 1 1 350.806 2.295 20 5 FEBDMO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440820824 560019065 /nfs/dbraw/zinc/01/90/65/560019065.db2.gz ZVELCSXWMNQORA-XVKPBYJWSA-N 1 1 368.242 2.178 20 5 FEBDMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1csc([N+](=O)[O-])c1 ZINC000440525765 560013758 /nfs/dbraw/zinc/01/37/58/560013758.db2.gz WDHQVYFLZKGBRR-KRWDZBQOSA-N 1 1 361.423 2.023 20 5 FEBDMO COc1ccc(OCC[N@H+](C)CC(=O)NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000440692509 560016630 /nfs/dbraw/zinc/01/66/30/560016630.db2.gz KLWAXTMVLZRJAR-UHFFFAOYSA-N 1 1 373.409 2.230 20 5 FEBDMO COc1ccc(OCC[N@@H+](C)CC(=O)NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000440692509 560016631 /nfs/dbraw/zinc/01/66/31/560016631.db2.gz KLWAXTMVLZRJAR-UHFFFAOYSA-N 1 1 373.409 2.230 20 5 FEBDMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000447807447 560169607 /nfs/dbraw/zinc/16/96/07/560169607.db2.gz ROBVXLRIEMPJGV-IAGOWNOFSA-N 1 1 360.458 2.466 20 5 FEBDMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000447811543 560169809 /nfs/dbraw/zinc/16/98/09/560169809.db2.gz GDHTVMKHRQGSGX-HNNXBMFYSA-N 1 1 357.414 2.050 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000448032186 560176333 /nfs/dbraw/zinc/17/63/33/560176333.db2.gz UQYPHTCYPFQTCQ-MRXNPFEDSA-N 1 1 363.462 2.426 20 5 FEBDMO NC(=O)C[C@H]1COCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449772436 560239891 /nfs/dbraw/zinc/23/98/91/560239891.db2.gz KZKGPPQGDUAWIY-LBPRGKRZSA-N 1 1 361.423 2.400 20 5 FEBDMO NC(=O)C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000449772436 560239892 /nfs/dbraw/zinc/23/98/92/560239892.db2.gz KZKGPPQGDUAWIY-LBPRGKRZSA-N 1 1 361.423 2.400 20 5 FEBDMO CC(C)[N@@H+]1C[C@H](NC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)[C@@H](C)C1 ZINC000450149180 560252259 /nfs/dbraw/zinc/25/22/59/560252259.db2.gz VETJWJJDDHSVTR-SJCJKPOMSA-N 1 1 357.414 2.443 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3CCC[N@@H+]3CCCO)n2)cc1 ZINC000450596690 560267518 /nfs/dbraw/zinc/26/75/18/560267518.db2.gz NSYDJOSCNRUXNX-OAHLLOKOSA-N 1 1 362.455 2.977 20 5 FEBDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000451142691 560289415 /nfs/dbraw/zinc/28/94/15/560289415.db2.gz GMYBTTQMZZLXLE-SRRSOLGSSA-N 1 1 350.341 2.204 20 5 FEBDMO COC[C@@]1(C)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451197155 560292600 /nfs/dbraw/zinc/29/26/00/560292600.db2.gz CGJJBQIUFYIOFS-PXAZEXFGSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451197155 560292601 /nfs/dbraw/zinc/29/26/01/560292601.db2.gz CGJJBQIUFYIOFS-PXAZEXFGSA-N 1 1 351.403 2.289 20 5 FEBDMO C[C@@H]([N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(C)(C)O ZINC000451366077 560302730 /nfs/dbraw/zinc/30/27/30/560302730.db2.gz ZHPPZYXMKOXZIB-SECBINFHSA-N 1 1 374.235 2.387 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451418401 560305730 /nfs/dbraw/zinc/30/57/30/560305730.db2.gz MREYVOWRINWJGW-IMJJTQAJSA-N 1 1 363.414 2.167 20 5 FEBDMO COC[C@H](C)OC[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451549630 560314074 /nfs/dbraw/zinc/31/40/74/560314074.db2.gz PTJLHMAHDHFRHT-YXJHDRRASA-N 1 1 352.431 2.187 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451558327 560314655 /nfs/dbraw/zinc/31/46/55/560314655.db2.gz GAGQYCWNIRRBLW-DOMZBBRYSA-N 1 1 351.403 2.289 20 5 FEBDMO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@@H](C)O1 ZINC000451563695 560315110 /nfs/dbraw/zinc/31/51/10/560315110.db2.gz KBFMWLQOGYNFFQ-INMHGKMJSA-N 1 1 361.442 2.410 20 5 FEBDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@@H](C)O1 ZINC000451563695 560315111 /nfs/dbraw/zinc/31/51/11/560315111.db2.gz KBFMWLQOGYNFFQ-INMHGKMJSA-N 1 1 361.442 2.410 20 5 FEBDMO CC(C)CNC(=O)NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451580109 560315930 /nfs/dbraw/zinc/31/59/30/560315930.db2.gz ZMSFYKFDEWIFFE-HNNXBMFYSA-N 1 1 362.430 2.256 20 5 FEBDMO CC(C)CNC(=O)NC(=O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451580109 560315931 /nfs/dbraw/zinc/31/59/31/560315931.db2.gz ZMSFYKFDEWIFFE-HNNXBMFYSA-N 1 1 362.430 2.256 20 5 FEBDMO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451854767 560332587 /nfs/dbraw/zinc/33/25/87/560332587.db2.gz RHTVJCYGURUUHB-SJORKVTESA-N 1 1 359.426 2.373 20 5 FEBDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451854767 560332588 /nfs/dbraw/zinc/33/25/88/560332588.db2.gz RHTVJCYGURUUHB-SJORKVTESA-N 1 1 359.426 2.373 20 5 FEBDMO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000452785122 560373929 /nfs/dbraw/zinc/37/39/29/560373929.db2.gz QPBNUFRQWBDBDR-HNNXBMFYSA-N 1 1 363.458 2.469 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000455251770 560475618 /nfs/dbraw/zinc/47/56/18/560475618.db2.gz TWHAVAJDLOYXNT-CQSZACIVSA-N 1 1 350.419 2.180 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000458166697 560606427 /nfs/dbraw/zinc/60/64/27/560606427.db2.gz LZUOXMISFNFDQE-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO C[N@@H+](CCCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1CC1 ZINC000459148672 560670189 /nfs/dbraw/zinc/67/01/89/560670189.db2.gz GBMOOQPEEZVXBQ-UHFFFAOYSA-N 1 1 362.430 2.242 20 5 FEBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)cc1 ZINC000465362789 560864012 /nfs/dbraw/zinc/86/40/12/560864012.db2.gz HFISDGWRATWLRO-UHFFFAOYSA-N 1 1 360.345 2.486 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000467795989 560917539 /nfs/dbraw/zinc/91/75/39/560917539.db2.gz PBJMBAOYAILQKB-OAHLLOKOSA-N 1 1 367.471 2.256 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000467799827 560917634 /nfs/dbraw/zinc/91/76/34/560917634.db2.gz QSEDWPKNKKMPGA-ZDUSSCGKSA-N 1 1 371.434 2.086 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000468477730 560930899 /nfs/dbraw/zinc/93/08/99/560930899.db2.gz FAEXKORFPXRQTA-MRXNPFEDSA-N 1 1 372.429 2.026 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000468635754 560934540 /nfs/dbraw/zinc/93/45/40/560934540.db2.gz STFNGBWQBIIXGY-GSPCDJLXSA-N 1 1 360.458 2.175 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000468635754 560934541 /nfs/dbraw/zinc/93/45/41/560934541.db2.gz STFNGBWQBIIXGY-GSPCDJLXSA-N 1 1 360.458 2.175 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470139853 560975197 /nfs/dbraw/zinc/97/51/97/560975197.db2.gz BMCXHHHMMDDLJQ-CQSZACIVSA-N 1 1 354.382 2.092 20 5 FEBDMO CC[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471690230 561010387 /nfs/dbraw/zinc/01/03/87/561010387.db2.gz WKIBSEWVQIKQBW-HZPDHXFCSA-N 1 1 359.430 2.420 20 5 FEBDMO CC[C@@H](Nc1c([N+](=O)[O-])ncn1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471690230 561010388 /nfs/dbraw/zinc/01/03/88/561010388.db2.gz WKIBSEWVQIKQBW-HZPDHXFCSA-N 1 1 359.430 2.420 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000472264217 561022105 /nfs/dbraw/zinc/02/21/05/561022105.db2.gz WDEGEVGQHXDCSB-INIZCTEOSA-N 1 1 372.469 2.148 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccsc2)c([N+](=O)[O-])c1 ZINC000473177382 561043481 /nfs/dbraw/zinc/04/34/81/561043481.db2.gz NFOAMPSGUDZVPL-YGRLFVJLSA-N 1 1 365.411 2.315 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475697161 561102501 /nfs/dbraw/zinc/10/25/01/561102501.db2.gz NKUDXRQPUOQQBX-UHFFFAOYSA-N 1 1 354.428 2.474 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000475697161 561102502 /nfs/dbraw/zinc/10/25/02/561102502.db2.gz NKUDXRQPUOQQBX-UHFFFAOYSA-N 1 1 354.428 2.474 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000476363451 561117564 /nfs/dbraw/zinc/11/75/64/561117564.db2.gz HTVWTUJJKOVQHD-UHFFFAOYSA-N 1 1 361.427 2.129 20 5 FEBDMO COc1c(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cccc1[N+](=O)[O-] ZINC000476469671 561120281 /nfs/dbraw/zinc/12/02/81/561120281.db2.gz WEXMDUVAHJUGSK-JKSUJKDBSA-N 1 1 355.394 2.431 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000476646530 561125194 /nfs/dbraw/zinc/12/51/94/561125194.db2.gz GKGDDTZNRVVYSU-DOMZBBRYSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000476646530 561125195 /nfs/dbraw/zinc/12/51/95/561125195.db2.gz GKGDDTZNRVVYSU-DOMZBBRYSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000477006947 561134163 /nfs/dbraw/zinc/13/41/63/561134163.db2.gz BACXNSBDZKPGOM-NHYWBVRUSA-N 1 1 363.443 2.203 20 5 FEBDMO C[C@H](O)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000532574436 562482103 /nfs/dbraw/zinc/48/21/03/562482103.db2.gz FIFBAPASQQNECP-HNNXBMFYSA-N 1 1 369.421 2.367 20 5 FEBDMO C[C@H](O)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1ccccc1 ZINC000532574436 562482104 /nfs/dbraw/zinc/48/21/04/562482104.db2.gz FIFBAPASQQNECP-HNNXBMFYSA-N 1 1 369.421 2.367 20 5 FEBDMO C[C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)S(C)(=O)=O ZINC000533130361 562499453 /nfs/dbraw/zinc/49/94/53/562499453.db2.gz KQHDPJXDKRTNSI-SNVBAGLBSA-N 1 1 355.441 2.241 20 5 FEBDMO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000533262655 562503142 /nfs/dbraw/zinc/50/31/42/562503142.db2.gz IDXCULQZQLOSNT-UHFFFAOYSA-N 1 1 363.414 2.247 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000535740743 562566234 /nfs/dbraw/zinc/56/62/34/562566234.db2.gz YBCKUMPMRBMVON-KGLIPLIRSA-N 1 1 350.419 2.098 20 5 FEBDMO CN1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccc[nH+]c21 ZINC000536476492 562576671 /nfs/dbraw/zinc/57/66/71/562576671.db2.gz UGRQSSQDQDVNLG-UHFFFAOYSA-N 1 1 352.354 2.496 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000537046152 562584710 /nfs/dbraw/zinc/58/47/10/562584710.db2.gz UJFVWVZZCLYBSB-HUUCEWRRSA-N 1 1 364.446 2.312 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000546123661 562634098 /nfs/dbraw/zinc/63/40/98/562634098.db2.gz VHMVTORPQBOFKB-KGLIPLIRSA-N 1 1 369.425 2.307 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000546123661 562634099 /nfs/dbraw/zinc/63/40/99/562634099.db2.gz VHMVTORPQBOFKB-KGLIPLIRSA-N 1 1 369.425 2.307 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000568926033 568253065 /nfs/dbraw/zinc/25/30/65/568253065.db2.gz QXFTYAKRLGASJR-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO O=C(NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000569266560 568323205 /nfs/dbraw/zinc/32/32/05/568323205.db2.gz WZNFJNUVYPRRDK-ZDUSSCGKSA-N 1 1 371.441 2.402 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000570923903 568678290 /nfs/dbraw/zinc/67/82/90/568678290.db2.gz XYJPRBFNGMIRNS-GOEBONIOSA-N 1 1 367.471 2.262 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000810091512 674531230 /nfs/dbraw/zinc/53/12/30/674531230.db2.gz YWICKBNYMHNGBX-SECBINFHSA-N 1 1 367.830 2.394 20 5 FEBDMO CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000820087295 606187623 /nfs/dbraw/zinc/18/76/23/606187623.db2.gz OWZZSMZOANTYPF-UHFFFAOYSA-N 1 1 370.417 2.130 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000810116978 674533222 /nfs/dbraw/zinc/53/32/22/674533222.db2.gz GJXMNWBPOMEFHK-GFCCVEGCSA-N 1 1 361.439 2.441 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810180553 674535701 /nfs/dbraw/zinc/53/57/01/674535701.db2.gz BCHIXGXOTHAGSC-KRWDZBQOSA-N 1 1 353.394 2.432 20 5 FEBDMO COc1ccc(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000810182566 674535720 /nfs/dbraw/zinc/53/57/20/674535720.db2.gz WHVDWCKSIBAWFE-QGZVFWFLSA-N 1 1 353.394 2.432 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820703861 607168773 /nfs/dbraw/zinc/16/87/73/607168773.db2.gz KHRJDGANSLLAES-LBPRGKRZSA-N 1 1 360.422 2.236 20 5 FEBDMO C[C@H](Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824669551 609316556 /nfs/dbraw/zinc/31/65/56/609316556.db2.gz DZQFKIQQXZQMGV-NWDGAFQWSA-N 1 1 372.433 2.235 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000561359639 674660247 /nfs/dbraw/zinc/66/02/47/674660247.db2.gz BMPIMCWADSELJS-NSHDSACASA-N 1 1 353.806 2.394 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+](C2CCC2)C1 ZINC000813752430 674776936 /nfs/dbraw/zinc/77/69/36/674776936.db2.gz SHIOWNHOHUPTAV-NSHDSACASA-N 1 1 359.473 2.151 20 5 FEBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815022298 674899746 /nfs/dbraw/zinc/89/97/46/674899746.db2.gz NVTFZHXSRODAEY-VIFPVBQESA-N 1 1 365.814 2.007 20 5 FEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000564804005 675063726 /nfs/dbraw/zinc/06/37/26/675063726.db2.gz OUKFHJXEVDBHJC-CQSZACIVSA-N 1 1 374.210 2.060 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000572401824 670997710 /nfs/dbraw/zinc/99/77/10/670997710.db2.gz JQZUQZCVDGNREO-KGLIPLIRSA-N 1 1 367.471 2.450 20 5 FEBDMO C[C@H]([NH3+])C[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000578322827 671656990 /nfs/dbraw/zinc/65/69/90/671656990.db2.gz MZUFGLCIWQEMSM-BQBZGAKWSA-N 1 1 356.231 2.306 20 5 FEBDMO C[N@H+]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609619908 675929216 /nfs/dbraw/zinc/92/92/16/675929216.db2.gz ZKLGPDRZFMRAJD-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609619908 675929218 /nfs/dbraw/zinc/92/92/18/675929218.db2.gz ZKLGPDRZFMRAJD-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000609619908 675929221 /nfs/dbraw/zinc/92/92/21/675929221.db2.gz ZKLGPDRZFMRAJD-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CCCC[NH+]1CCC(NC[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581424974 671895320 /nfs/dbraw/zinc/89/53/20/671895320.db2.gz QLHRBFVRPIZKTB-KRWDZBQOSA-N 1 1 351.447 2.189 20 5 FEBDMO CCCCN1CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000581424974 671895323 /nfs/dbraw/zinc/89/53/23/671895323.db2.gz QLHRBFVRPIZKTB-KRWDZBQOSA-N 1 1 351.447 2.189 20 5 FEBDMO CCOCC[NH+]1CCN(c2cc(Cl)c(C(=O)OC)cc2[N+](=O)[O-])CC1 ZINC000124700496 672000902 /nfs/dbraw/zinc/00/09/02/672000902.db2.gz MRNYCWBNJZFWKA-UHFFFAOYSA-N 1 1 371.821 2.193 20 5 FEBDMO Cc1c(C(=O)N2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000126106348 672020497 /nfs/dbraw/zinc/02/04/97/672020497.db2.gz CMZQRAHDXXYACC-UHFFFAOYSA-N 1 1 350.375 2.286 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000137062085 672140752 /nfs/dbraw/zinc/14/07/52/672140752.db2.gz QJCCWDMMKOYZHW-UHFFFAOYSA-N 1 1 368.865 2.396 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000585698701 672225803 /nfs/dbraw/zinc/22/58/03/672225803.db2.gz PHKWCKNALJGPSR-JTQLQIEISA-N 1 1 356.220 2.490 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171378067 672331826 /nfs/dbraw/zinc/33/18/26/672331826.db2.gz IIBAOCGCRAFHJF-NSHDSACASA-N 1 1 369.805 2.272 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](C2OCCO2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000171378067 672331830 /nfs/dbraw/zinc/33/18/30/672331830.db2.gz IIBAOCGCRAFHJF-NSHDSACASA-N 1 1 369.805 2.272 20 5 FEBDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000588973894 672497224 /nfs/dbraw/zinc/49/72/24/672497224.db2.gz KHANMDCOTNFHLF-CQSZACIVSA-N 1 1 369.487 2.477 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000589501407 672529309 /nfs/dbraw/zinc/52/93/09/672529309.db2.gz MJVOUVUQHJHHHM-LSDHHAIUSA-N 1 1 352.412 2.088 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000589501407 672529313 /nfs/dbraw/zinc/52/93/13/672529313.db2.gz MJVOUVUQHJHHHM-LSDHHAIUSA-N 1 1 352.412 2.088 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590591967 672594548 /nfs/dbraw/zinc/59/45/48/672594548.db2.gz WIMATIBBKHIKRV-LLVKDONJSA-N 1 1 359.423 2.053 20 5 FEBDMO CCCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000591955641 672726054 /nfs/dbraw/zinc/72/60/54/672726054.db2.gz LSPNVEPOJPSNCQ-OAHLLOKOSA-N 1 1 350.419 2.099 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592189361 672769573 /nfs/dbraw/zinc/76/95/73/672769573.db2.gz SWYHWLRHSINTRA-GDBMZVCRSA-N 1 1 350.415 2.368 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484774 673088462 /nfs/dbraw/zinc/08/84/62/673088462.db2.gz UJGOKUYLECJVGC-GJZGRUSLSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484776 673088582 /nfs/dbraw/zinc/08/85/82/673088582.db2.gz UJGOKUYLECJVGC-HUUCEWRRSA-N 1 1 353.444 2.198 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)C1 ZINC000725892799 673095937 /nfs/dbraw/zinc/09/59/37/673095937.db2.gz MSMJPXNXYDLXKW-LBPRGKRZSA-N 1 1 350.375 2.273 20 5 FEBDMO COc1c(C)cccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594577321 673101333 /nfs/dbraw/zinc/10/13/33/673101333.db2.gz LQOFOKJFHHWRTR-UHFFFAOYSA-N 1 1 364.423 2.475 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594801453 673147870 /nfs/dbraw/zinc/14/78/70/673147870.db2.gz ONPRQXARGKALNB-SNVBAGLBSA-N 1 1 361.851 2.399 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594854180 673165236 /nfs/dbraw/zinc/16/52/36/673165236.db2.gz FHIKZJCEJLXZMT-GFCCVEGCSA-N 1 1 371.434 2.419 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594854180 673165240 /nfs/dbraw/zinc/16/52/40/673165240.db2.gz FHIKZJCEJLXZMT-GFCCVEGCSA-N 1 1 371.434 2.419 20 5 FEBDMO C[C@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CS1(=O)=O ZINC000594976592 673182114 /nfs/dbraw/zinc/18/21/14/673182114.db2.gz PPEHSZUQOATLCE-GXSJLCMTSA-N 1 1 364.370 2.252 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000595381455 673238673 /nfs/dbraw/zinc/23/86/73/673238673.db2.gz LNYNYYOBOUFBAZ-UHFFFAOYSA-N 1 1 359.448 2.002 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000595409195 673245484 /nfs/dbraw/zinc/24/54/84/673245484.db2.gz BDRRZRMGHBPMMC-CYBMUJFWSA-N 1 1 371.434 2.134 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000462569735 673263825 /nfs/dbraw/zinc/26/38/25/673263825.db2.gz HRTHWHXALXDBEK-ZDUSSCGKSA-N 1 1 371.434 2.277 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462569735 673263827 /nfs/dbraw/zinc/26/38/27/673263827.db2.gz HRTHWHXALXDBEK-ZDUSSCGKSA-N 1 1 371.434 2.277 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595606588 673272803 /nfs/dbraw/zinc/27/28/03/673272803.db2.gz ISPCZLOLUBGTPV-NSHDSACASA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595606588 673272806 /nfs/dbraw/zinc/27/28/06/673272806.db2.gz ISPCZLOLUBGTPV-NSHDSACASA-N 1 1 366.219 2.471 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781457 673324887 /nfs/dbraw/zinc/32/48/87/673324887.db2.gz UELYJNHFYOYVCN-OLZOCXBDSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@H]1COC2(CCCC2)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595815279 673327393 /nfs/dbraw/zinc/32/73/93/673327393.db2.gz NQMPUXLVODJJIN-GJZGRUSLSA-N 1 1 350.415 2.368 20 5 FEBDMO CCOc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000595823603 673328032 /nfs/dbraw/zinc/32/80/32/673328032.db2.gz OUAUWJJMPGIBHH-AWEZNQCLSA-N 1 1 350.419 2.181 20 5 FEBDMO CCOc1cc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)ccc1[N+](=O)[O-] ZINC000595823603 673328036 /nfs/dbraw/zinc/32/80/36/673328036.db2.gz OUAUWJJMPGIBHH-AWEZNQCLSA-N 1 1 350.419 2.181 20 5 FEBDMO COc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596128023 673361726 /nfs/dbraw/zinc/36/17/26/673361726.db2.gz FPJXIRIPSZYWRY-CYBMUJFWSA-N 1 1 368.865 2.473 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000536601973 673371623 /nfs/dbraw/zinc/37/16/23/673371623.db2.gz RFUCLNLCFOUYMV-STQMWFEESA-N 1 1 367.471 2.498 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000536601973 673371626 /nfs/dbraw/zinc/37/16/26/673371626.db2.gz RFUCLNLCFOUYMV-STQMWFEESA-N 1 1 367.471 2.498 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](C)CC2)cc1Br ZINC000733895797 673443007 /nfs/dbraw/zinc/44/30/07/673443007.db2.gz LZOXVEUVZJZWPA-UHFFFAOYSA-N 1 1 372.219 2.286 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)C2)C1 ZINC000597093901 673446645 /nfs/dbraw/zinc/44/66/45/673446645.db2.gz ZUROJYGLVRGGES-HNNXBMFYSA-N 1 1 353.810 2.390 20 5 FEBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)C2)C1 ZINC000597093902 673446695 /nfs/dbraw/zinc/44/66/95/673446695.db2.gz ZUROJYGLVRGGES-OAHLLOKOSA-N 1 1 353.810 2.390 20 5 FEBDMO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 ZINC000539370604 673486060 /nfs/dbraw/zinc/48/60/60/673486060.db2.gz ORVSJNGDKPNVFK-NDHGSNPTSA-N 1 1 361.423 2.282 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598609114 673589840 /nfs/dbraw/zinc/58/98/40/673589840.db2.gz QSTGVTLSYOUVEC-AAEUAGOBSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1[N+](=O)[O-] ZINC000598609114 673589844 /nfs/dbraw/zinc/58/98/44/673589844.db2.gz QSTGVTLSYOUVEC-AAEUAGOBSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598622188 673591619 /nfs/dbraw/zinc/59/16/19/673591619.db2.gz YPUCSJWLOYKIIW-AWEZNQCLSA-N 1 1 355.460 2.315 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)c1 ZINC000598644311 673593386 /nfs/dbraw/zinc/59/33/86/673593386.db2.gz IINUNTWVFKLXCT-QGZVFWFLSA-N 1 1 362.407 2.233 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599412869 673672050 /nfs/dbraw/zinc/67/20/50/673672050.db2.gz PSRIQMBBWMGVTM-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464461 673678627 /nfs/dbraw/zinc/67/86/27/673678627.db2.gz LRODWFCNGPZUDN-AWEZNQCLSA-N 1 1 353.444 2.198 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601408061 673857181 /nfs/dbraw/zinc/85/71/81/673857181.db2.gz KKRMMXGOWVWXJP-LBPRGKRZSA-N 1 1 359.423 2.147 20 5 FEBDMO O=C(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)NCc1ccco1 ZINC000602512426 673907021 /nfs/dbraw/zinc/90/70/21/673907021.db2.gz UZGLOKNNCWPZMN-UHFFFAOYSA-N 1 1 374.216 2.418 20 5 FEBDMO O=C(CC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000602987853 673914877 /nfs/dbraw/zinc/91/48/77/673914877.db2.gz TUZUQOGJSGPHSZ-WDEREUQCSA-N 1 1 361.320 2.026 20 5 FEBDMO CC(C)Oc1nc(N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000566484357 675218034 /nfs/dbraw/zinc/21/80/34/675218034.db2.gz MWHWJXQTBNZEMX-CYBMUJFWSA-N 1 1 352.435 2.058 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000566533524 675221929 /nfs/dbraw/zinc/22/19/29/675221929.db2.gz NIKCHTIKEDCFHI-ZDUSSCGKSA-N 1 1 350.419 2.078 20 5 FEBDMO C[N@@H+]1CCO[C@H](CSCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000567501298 675298426 /nfs/dbraw/zinc/29/84/26/675298426.db2.gz LLODFLHBAJUKJH-ZDUSSCGKSA-N 1 1 350.400 2.209 20 5 FEBDMO C[N@H+]1CCO[C@H](CSCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000567501298 675298430 /nfs/dbraw/zinc/29/84/30/675298430.db2.gz LLODFLHBAJUKJH-ZDUSSCGKSA-N 1 1 350.400 2.209 20 5 FEBDMO C[N@@H+]1CCO[C@@H](CSCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000567501297 675298601 /nfs/dbraw/zinc/29/86/01/675298601.db2.gz LLODFLHBAJUKJH-CYBMUJFWSA-N 1 1 350.400 2.209 20 5 FEBDMO C[N@H+]1CCO[C@@H](CSCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000567501297 675298602 /nfs/dbraw/zinc/29/86/02/675298602.db2.gz LLODFLHBAJUKJH-CYBMUJFWSA-N 1 1 350.400 2.209 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000819635394 675306488 /nfs/dbraw/zinc/30/64/88/675306488.db2.gz SAHQIYMFECLHIU-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)SC[C@@H]2C[N@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000567849393 675328939 /nfs/dbraw/zinc/32/89/39/675328939.db2.gz XBOYHHSBVZRKFZ-STQMWFEESA-N 1 1 353.444 2.294 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)SC[C@@H]2C[N@@H+](C)CCO2)cccc1[N+](=O)[O-] ZINC000567849393 675328940 /nfs/dbraw/zinc/32/89/40/675328940.db2.gz XBOYHHSBVZRKFZ-STQMWFEESA-N 1 1 353.444 2.294 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@@H+]1CCO ZINC000821053025 675409889 /nfs/dbraw/zinc/40/98/89/675409889.db2.gz SSOYGSQVERKMNV-ZDUSSCGKSA-N 1 1 369.849 2.144 20 5 FEBDMO C[C@@H]1CN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)[N@@H+]1CCO ZINC000821711068 675446239 /nfs/dbraw/zinc/44/62/39/675446239.db2.gz JASIHMOOWSRCQH-BETUJISGSA-N 1 1 369.849 2.094 20 5 FEBDMO CC[N@@H+](CCNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O)C1CC1 ZINC000823075223 675527522 /nfs/dbraw/zinc/52/75/22/675527522.db2.gz KJSKUMWXGFCBML-UHFFFAOYSA-N 1 1 368.821 2.421 20 5 FEBDMO C[C@H]1C[N@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000824951301 675630646 /nfs/dbraw/zinc/63/06/46/675630646.db2.gz UTJBEPUPCDBDSL-STQMWFEESA-N 1 1 369.849 2.406 20 5 FEBDMO C[C@H]1C[N@@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000824951301 675630647 /nfs/dbraw/zinc/63/06/47/675630647.db2.gz UTJBEPUPCDBDSL-STQMWFEESA-N 1 1 369.849 2.406 20 5 FEBDMO C[NH+]1CCN(C2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)CC1 ZINC000827474250 675758858 /nfs/dbraw/zinc/75/88/58/675758858.db2.gz VEWRGVHVIULERE-UHFFFAOYSA-N 1 1 366.849 2.100 20 5 FEBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)C[C@@]2(C)C1 ZINC000827599369 675767158 /nfs/dbraw/zinc/76/71/58/675767158.db2.gz XMDPEQIVSYPEGJ-IYBDPMFKSA-N 1 1 370.812 2.383 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000828248452 675809089 /nfs/dbraw/zinc/80/90/89/675809089.db2.gz GRQJOOAOTCVIAA-ZJUUUORDSA-N 1 1 368.821 2.371 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000828248452 675809092 /nfs/dbraw/zinc/80/90/92/675809092.db2.gz GRQJOOAOTCVIAA-ZJUUUORDSA-N 1 1 368.821 2.371 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000839529040 680759550 /nfs/dbraw/zinc/75/95/50/680759550.db2.gz UUOBORCWPWVUCK-MNOVXSKESA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)C[C@H]1C ZINC000839529040 680759551 /nfs/dbraw/zinc/75/95/51/680759551.db2.gz UUOBORCWPWVUCK-MNOVXSKESA-N 1 1 368.821 2.128 20 5 FEBDMO CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1OC ZINC000839657728 680769635 /nfs/dbraw/zinc/76/96/35/680769635.db2.gz NHQYNYOXYZEHKY-ZIAGYGMSSA-N 1 1 351.403 2.020 20 5 FEBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768441443 680947073 /nfs/dbraw/zinc/94/70/73/680947073.db2.gz IKQYUNUNMJXSLY-ZJUUUORDSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000768441443 680947075 /nfs/dbraw/zinc/94/70/75/680947075.db2.gz IKQYUNUNMJXSLY-ZJUUUORDSA-N 1 1 356.220 2.443 20 5 FEBDMO COc1cc(OCC(=O)OCC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000840226184 680808792 /nfs/dbraw/zinc/80/87/92/680808792.db2.gz ULIGVRLFEWREDO-ZDUSSCGKSA-N 1 1 352.387 2.400 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000752250764 680231982 /nfs/dbraw/zinc/23/19/82/680231982.db2.gz JWFVOHYDBTYTJT-LBPRGKRZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000752250764 680231984 /nfs/dbraw/zinc/23/19/84/680231984.db2.gz JWFVOHYDBTYTJT-LBPRGKRZSA-N 1 1 373.862 2.414 20 5 FEBDMO O=C(N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000834594151 680245286 /nfs/dbraw/zinc/24/52/86/680245286.db2.gz SVLKMPNIDJUYDL-UONOGXRCSA-N 1 1 357.332 2.331 20 5 FEBDMO CCCCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000996439922 680332642 /nfs/dbraw/zinc/33/26/42/680332642.db2.gz JNPLUPKMFRRWAD-HUUCEWRRSA-N 1 1 366.487 2.232 20 5 FEBDMO CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000835931996 680400029 /nfs/dbraw/zinc/40/00/29/680400029.db2.gz HMMMOARSMDJFEX-NSHDSACASA-N 1 1 368.821 2.129 20 5 FEBDMO O=C(NCC1=CC[N@@H+](CC2CCC(F)(F)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674010 680436794 /nfs/dbraw/zinc/43/67/94/680436794.db2.gz KYFZTNLVXROPKJ-HUUCEWRRSA-N 1 1 357.401 2.225 20 5 FEBDMO O=C(NCC1=CC[N@H+](CC2CCC(F)(F)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674010 680436797 /nfs/dbraw/zinc/43/67/97/680436797.db2.gz KYFZTNLVXROPKJ-HUUCEWRRSA-N 1 1 357.401 2.225 20 5 FEBDMO O=C(NCC1=CC[N@@H+](CC2CCC(F)(F)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000674010 680436800 /nfs/dbraw/zinc/43/68/00/680436800.db2.gz KYFZTNLVXROPKJ-HUUCEWRRSA-N 1 1 357.401 2.225 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C(C)(C)CO)CC2)cc1Cl ZINC000836780503 680513350 /nfs/dbraw/zinc/51/33/50/680513350.db2.gz XQUMFMOMMHIEDR-UHFFFAOYSA-N 1 1 355.822 2.085 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])c1F ZINC000766206705 680870180 /nfs/dbraw/zinc/87/01/80/680870180.db2.gz ISOLCNBEQNZZMT-ZDUSSCGKSA-N 1 1 371.434 2.338 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc([N+](=O)[O-])c1F ZINC000766206705 680870183 /nfs/dbraw/zinc/87/01/83/680870183.db2.gz ISOLCNBEQNZZMT-ZDUSSCGKSA-N 1 1 371.434 2.338 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841613993 680903644 /nfs/dbraw/zinc/90/36/44/680903644.db2.gz DDVGUAWMGFTUMC-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841613993 680903646 /nfs/dbraw/zinc/90/36/46/680903646.db2.gz DDVGUAWMGFTUMC-WDEREUQCSA-N 1 1 356.810 2.167 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000769763367 680994297 /nfs/dbraw/zinc/99/42/97/680994297.db2.gz NSMMBDAEIOJCCJ-UHFFFAOYSA-N 1 1 365.503 2.297 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000844021000 681031319 /nfs/dbraw/zinc/03/13/19/681031319.db2.gz PVCSQBFUZRTQNS-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@@H]1C ZINC000844021000 681031320 /nfs/dbraw/zinc/03/13/20/681031320.db2.gz PVCSQBFUZRTQNS-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCN1CCCCC1 ZINC000844465408 681060790 /nfs/dbraw/zinc/06/07/90/681060790.db2.gz ZCAMZCMFJMDILG-UHFFFAOYSA-N 1 1 352.410 2.480 20 5 FEBDMO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCN1CCCCC1 ZINC000844465408 681060793 /nfs/dbraw/zinc/06/07/93/681060793.db2.gz ZCAMZCMFJMDILG-UHFFFAOYSA-N 1 1 352.410 2.480 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847257258 681354809 /nfs/dbraw/zinc/35/48/09/681354809.db2.gz VUZLMALYROZIIQ-GOEBONIOSA-N 1 1 351.378 2.246 20 5 FEBDMO O=C1NCCN1CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000933584227 681437075 /nfs/dbraw/zinc/43/70/75/681437075.db2.gz JBAFPEKNKAISDA-UHFFFAOYSA-N 1 1 352.822 2.485 20 5 FEBDMO NC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000933761879 681465236 /nfs/dbraw/zinc/46/52/36/681465236.db2.gz NSYLQSILSCNYMH-NHYWBVRUSA-N 1 1 368.231 2.445 20 5 FEBDMO CN1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[N@@H+](C)CC1 ZINC000933990999 681493967 /nfs/dbraw/zinc/49/39/67/681493967.db2.gz VPISTWPPIKJLNC-UHFFFAOYSA-N 1 1 360.380 2.293 20 5 FEBDMO C[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000777799888 681531732 /nfs/dbraw/zinc/53/17/32/681531732.db2.gz URUNVTFVOZEWBI-QWRGUYRKSA-N 1 1 363.443 2.450 20 5 FEBDMO C[C@H](NC(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1=CC[N@@H+](C)CC1 ZINC000848586517 681584074 /nfs/dbraw/zinc/58/40/74/681584074.db2.gz MEYQHRVDWXCJCS-NSHDSACASA-N 1 1 355.341 2.333 20 5 FEBDMO C[C@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000848587828 681584226 /nfs/dbraw/zinc/58/42/26/681584226.db2.gz YCUPVRXNEABKRF-NSHDSACASA-N 1 1 355.341 2.333 20 5 FEBDMO C[N@@H+](CC(=O)NCc1cc(F)c(Cl)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000913385229 685476114 /nfs/dbraw/zinc/47/61/14/685476114.db2.gz UDVCUILMQZLETL-SNVBAGLBSA-N 1 1 361.826 2.441 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[NH+](CCCCCO)CC2)cc1[N+](=O)[O-] ZINC000913694558 685482517 /nfs/dbraw/zinc/48/25/17/685482517.db2.gz VKNDTRRGAKJQOC-UHFFFAOYSA-N 1 1 369.849 2.477 20 5 FEBDMO COc1cc(CN2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000780302175 681812784 /nfs/dbraw/zinc/81/27/84/681812784.db2.gz PISBMKSMVTXUPY-LLVKDONJSA-N 1 1 359.373 2.383 20 5 FEBDMO C[C@@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000913943917 685489712 /nfs/dbraw/zinc/48/97/12/685489712.db2.gz ZXVDTGKNLSDXAL-CJNGLKHVSA-N 1 1 353.444 2.061 20 5 FEBDMO CC[C@@H](NS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)c1cccc([N+](=O)[O-])c1 ZINC000914226981 685499743 /nfs/dbraw/zinc/49/97/43/685499743.db2.gz DPJWLKCHVVBXDE-SJORKVTESA-N 1 1 367.471 2.451 20 5 FEBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000851820575 682147700 /nfs/dbraw/zinc/14/77/00/682147700.db2.gz CAEDTGFUDSVNJS-NSHDSACASA-N 1 1 361.851 2.319 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000790636175 682689993 /nfs/dbraw/zinc/68/99/93/682689993.db2.gz VPOSXLLMTFCDLP-GFCCVEGCSA-N 1 1 373.812 2.157 20 5 FEBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791365898 682738027 /nfs/dbraw/zinc/73/80/27/682738027.db2.gz FEAPPXLYXSZCKM-INIZCTEOSA-N 1 1 352.410 2.212 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000791365898 682738030 /nfs/dbraw/zinc/73/80/30/682738030.db2.gz FEAPPXLYXSZCKM-INIZCTEOSA-N 1 1 352.410 2.212 20 5 FEBDMO O=C(NCCCCC[NH+]1CCNCC1)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000926010960 683063338 /nfs/dbraw/zinc/06/33/38/683063338.db2.gz FKYAXDYMDZLKJU-UHFFFAOYSA-N 1 1 369.853 2.445 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000796203465 683140412 /nfs/dbraw/zinc/14/04/12/683140412.db2.gz OTAZYKMAAFCGEC-LBPRGKRZSA-N 1 1 359.423 2.195 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000920704805 683362211 /nfs/dbraw/zinc/36/22/11/683362211.db2.gz KOXCHJKYEULRCP-CQSZACIVSA-N 1 1 352.387 2.117 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928075501 683369495 /nfs/dbraw/zinc/36/94/95/683369495.db2.gz DFHYSMVIJBISSX-VVLHAWIVSA-N 1 1 361.467 2.394 20 5 FEBDMO O=C(N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928094082 683384396 /nfs/dbraw/zinc/38/43/96/683384396.db2.gz ZMHXRFVEQOHTEP-ZIAGYGMSSA-N 1 1 371.409 2.383 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000928094082 683384404 /nfs/dbraw/zinc/38/44/04/683384404.db2.gz ZMHXRFVEQOHTEP-ZIAGYGMSSA-N 1 1 371.409 2.383 20 5 FEBDMO O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000861553977 683434736 /nfs/dbraw/zinc/43/47/36/683434736.db2.gz HYRCMRNAVKIGFV-CYBMUJFWSA-N 1 1 367.833 2.433 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)c(CN2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000930089059 683677862 /nfs/dbraw/zinc/67/78/62/683677862.db2.gz GATWPRKAZKLHKO-AWEZNQCLSA-N 1 1 370.247 2.264 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000922333743 683699969 /nfs/dbraw/zinc/69/99/69/683699969.db2.gz XUIYNMXHJPYPGI-UHFFFAOYSA-N 1 1 367.203 2.374 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1F ZINC000867378278 684263424 /nfs/dbraw/zinc/26/34/24/684263424.db2.gz RMZXOMZLODOTAT-UHFFFAOYSA-N 1 1 359.423 2.195 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@@H]21 ZINC000868391754 684489798 /nfs/dbraw/zinc/48/97/98/684489798.db2.gz NPQBSEUFYIRBQY-NHYWBVRUSA-N 1 1 352.822 2.484 20 5 FEBDMO C[C@]([NH3+])(C(=O)N1CCO[C@H](c2ccsc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000870906461 684768908 /nfs/dbraw/zinc/76/89/08/684768908.db2.gz OHBSVPVMTNHHTI-DOTOQJQBSA-N 1 1 361.423 2.430 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@@H](C(F)F)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000872273200 684933749 /nfs/dbraw/zinc/93/37/49/684933749.db2.gz VFQPUODTPWLTEM-CYBMUJFWSA-N 1 1 361.320 2.419 20 5 FEBDMO CSC1CC[NH+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000872628369 684991781 /nfs/dbraw/zinc/99/17/81/684991781.db2.gz WAMOJFZMYHBVKU-UHFFFAOYSA-N 1 1 364.427 2.148 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000872662241 684999868 /nfs/dbraw/zinc/99/98/68/684999868.db2.gz HAPVKSVRJBFFGF-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872720362 685008579 /nfs/dbraw/zinc/00/85/79/685008579.db2.gz NHPMSFIJQCVEKQ-RYUDHWBXSA-N 1 1 362.411 2.054 20 5 FEBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000872720362 685008583 /nfs/dbraw/zinc/00/85/83/685008583.db2.gz NHPMSFIJQCVEKQ-RYUDHWBXSA-N 1 1 362.411 2.054 20 5 FEBDMO C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000876979797 686304422 /nfs/dbraw/zinc/30/44/22/686304422.db2.gz AIBIJZQNPUGCCI-VFVAKGGASA-N 1 1 357.357 2.040 20 5 FEBDMO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877798648 686465512 /nfs/dbraw/zinc/46/55/12/686465512.db2.gz APDIMEVWMXRLKA-KFWWJZLASA-N 1 1 367.471 2.288 20 5 FEBDMO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000877798648 686465520 /nfs/dbraw/zinc/46/55/20/686465520.db2.gz APDIMEVWMXRLKA-KFWWJZLASA-N 1 1 367.471 2.288 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)o1 ZINC000878200664 686540274 /nfs/dbraw/zinc/54/02/74/686540274.db2.gz NUJGGOHXZOGORJ-KGLIPLIRSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1nnc(C[N@H+]2CCS[C@H]3COCC[C@H]32)o1 ZINC000878200664 686540280 /nfs/dbraw/zinc/54/02/80/686540280.db2.gz NUJGGOHXZOGORJ-KGLIPLIRSA-N 1 1 362.411 2.351 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879322720 686795640 /nfs/dbraw/zinc/79/56/40/686795640.db2.gz VJRJKDTXQULJGS-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC000879565648 686858658 /nfs/dbraw/zinc/85/86/58/686858658.db2.gz PNUAFXJQQMVYHO-OLZOCXBDSA-N 1 1 356.469 2.053 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC000879565648 686858669 /nfs/dbraw/zinc/85/86/69/686858669.db2.gz PNUAFXJQQMVYHO-OLZOCXBDSA-N 1 1 356.469 2.053 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000880502344 687055089 /nfs/dbraw/zinc/05/50/89/687055089.db2.gz JDYXZQXYSSQXIM-CABCVRRESA-N 1 1 367.833 2.477 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000880580013 687061751 /nfs/dbraw/zinc/06/17/51/687061751.db2.gz XUTNOMZHHMKPMH-INIZCTEOSA-N 1 1 350.415 2.227 20 5 FEBDMO C[NH+]1CCN(C2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)CC1 ZINC000881440111 687134004 /nfs/dbraw/zinc/13/40/04/687134004.db2.gz TWXVFWGRVOIEAK-UHFFFAOYSA-N 1 1 366.849 2.100 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000882501318 687379553 /nfs/dbraw/zinc/37/95/53/687379553.db2.gz RELCBUHIIYQZFT-AAEUAGOBSA-N 1 1 373.862 2.271 20 5 FEBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000885858077 688170350 /nfs/dbraw/zinc/17/03/50/688170350.db2.gz LBGJOCZOLUDFSD-AWEZNQCLSA-N 1 1 365.455 2.056 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000886798622 688314421 /nfs/dbraw/zinc/31/44/21/688314421.db2.gz DYVNCPWCMZYUAG-AWEZNQCLSA-N 1 1 364.320 2.229 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1Cl ZINC000889752018 688817554 /nfs/dbraw/zinc/81/75/54/688817554.db2.gz UBPPJLDUVDGNRZ-LSDHHAIUSA-N 1 1 367.833 2.228 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889756901 688817933 /nfs/dbraw/zinc/81/79/33/688817933.db2.gz PCLNTEJVKQZZKH-KGLIPLIRSA-N 1 1 367.833 2.228 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000894048446 689456291 /nfs/dbraw/zinc/45/62/91/689456291.db2.gz WKQGNLKDDMCSQR-SWLSCSKDSA-N 1 1 352.822 2.136 20 5 FEBDMO O=[N+]([O-])c1sc(C[NH2+]Cc2cnc3n2CCOC3)cc1Br ZINC000898266032 690151779 /nfs/dbraw/zinc/15/17/79/690151779.db2.gz KPZAYVOMENMVED-UHFFFAOYSA-N 1 1 373.232 2.435 20 5 FEBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000898798357 690251021 /nfs/dbraw/zinc/25/10/21/690251021.db2.gz AZTDZLJCISYBKA-UHFFFAOYSA-N 1 1 353.806 2.185 20 5 FEBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900049899 690466877 /nfs/dbraw/zinc/46/68/77/690466877.db2.gz SUVXBAGSNACNHQ-INIZCTEOSA-N 1 1 355.822 2.053 20 5 FEBDMO CCS(=O)(=O)NC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000903010308 690830868 /nfs/dbraw/zinc/83/08/68/690830868.db2.gz RMUHXCNOEYCOPQ-ZDUSSCGKSA-N 1 1 355.460 2.368 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1F ZINC000906200423 691241744 /nfs/dbraw/zinc/24/17/44/691241744.db2.gz GGSAEUMNJADQME-UONOGXRCSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1F ZINC000906200423 691241746 /nfs/dbraw/zinc/24/17/46/691241746.db2.gz GGSAEUMNJADQME-UONOGXRCSA-N 1 1 353.419 2.352 20 5 FEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1)C2 ZINC000908534742 691694608 /nfs/dbraw/zinc/69/46/08/691694608.db2.gz FQINRUINUAQIJI-MRXNPFEDSA-N 1 1 352.822 2.388 20 5 FEBDMO CN(C)/C=C/c1cc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ncc1[N+](=O)[O-] ZINC001164769844 721296232 /nfs/dbraw/zinc/29/62/32/721296232.db2.gz OPBKPNGLLJOKRM-FNORWQNLSA-N 1 1 357.458 2.444 20 5 FEBDMO O=[N+]([O-])c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164901674 721511453 /nfs/dbraw/zinc/51/14/53/721511453.db2.gz XYBFFZRJSFCJBX-DOTOQJQBSA-N 1 1 358.373 2.471 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164902110 721520575 /nfs/dbraw/zinc/52/05/75/721520575.db2.gz ZGLLPAZGMFXANQ-GOEBONIOSA-N 1 1 358.373 2.471 20 5 FEBDMO Nc1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164907536 721551569 /nfs/dbraw/zinc/55/15/69/721551569.db2.gz OCUDDDXAOTZDLZ-GDBMZVCRSA-N 1 1 373.388 2.053 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)n1 ZINC001164927596 721858849 /nfs/dbraw/zinc/85/88/49/721858849.db2.gz LNUSJQTVQYUVSL-KGLIPLIRSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)n1 ZINC001164927596 721858850 /nfs/dbraw/zinc/85/88/50/721858850.db2.gz LNUSJQTVQYUVSL-KGLIPLIRSA-N 1 1 353.854 2.166 20 5 FEBDMO COc1ccc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000014340165 539601512 /nfs/dbraw/zinc/60/15/12/539601512.db2.gz YRFPQSFWSNSNHZ-BETUJISGSA-N 1 1 365.430 2.221 20 5 FEBDMO COc1ccc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000014340165 539601517 /nfs/dbraw/zinc/60/15/17/539601517.db2.gz YRFPQSFWSNSNHZ-BETUJISGSA-N 1 1 365.430 2.221 20 5 FEBDMO CCCS(=O)(=O)NC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000030134733 539874637 /nfs/dbraw/zinc/87/46/37/539874637.db2.gz CBQXBIDNWSMHBD-CYBMUJFWSA-N 1 1 355.460 2.450 20 5 FEBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)nc1NCCN1CC=CCC1 ZINC000530377782 539956592 /nfs/dbraw/zinc/95/65/92/539956592.db2.gz NYYYYMOHKJKQDW-UHFFFAOYSA-N 1 1 372.473 2.337 20 5 FEBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)nc1NCCN1CC=CCC1 ZINC000530377782 539956594 /nfs/dbraw/zinc/95/65/94/539956594.db2.gz NYYYYMOHKJKQDW-UHFFFAOYSA-N 1 1 372.473 2.337 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000043821420 540110891 /nfs/dbraw/zinc/11/08/91/540110891.db2.gz OUFQMQYMUTXDEJ-MRXNPFEDSA-N 1 1 364.446 2.093 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044533242 540130023 /nfs/dbraw/zinc/13/00/23/540130023.db2.gz OTOWUGXZAGZXKO-AWEZNQCLSA-N 1 1 357.414 2.385 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000047032723 540286563 /nfs/dbraw/zinc/28/65/63/540286563.db2.gz QUKYEUUGFTVGRR-MRXNPFEDSA-N 1 1 367.402 2.315 20 5 FEBDMO CCCS(=O)(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000047496816 540314326 /nfs/dbraw/zinc/31/43/26/540314326.db2.gz NGFABDIISCVYTA-UHFFFAOYSA-N 1 1 355.460 2.197 20 5 FEBDMO C[N@@H+](CCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000052795266 540488845 /nfs/dbraw/zinc/48/88/45/540488845.db2.gz RXIFDLGADFAOIQ-UHFFFAOYSA-N 1 1 363.439 2.395 20 5 FEBDMO COC(=O)c1ccnc(N2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000055058365 540625315 /nfs/dbraw/zinc/62/53/15/540625315.db2.gz CDAUSUPNVAUSEV-UHFFFAOYSA-N 1 1 370.409 2.489 20 5 FEBDMO CC1CC[NH+](CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000055591643 540661400 /nfs/dbraw/zinc/66/14/00/540661400.db2.gz GQXWMYWCAUIIPD-UHFFFAOYSA-N 1 1 361.851 2.258 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N=c2ccn(CC[NH+](C)C)[nH]2)c1 ZINC000537276336 540710349 /nfs/dbraw/zinc/71/03/49/540710349.db2.gz ZLMGLNXSARWJGU-UHFFFAOYSA-N 1 1 361.402 2.069 20 5 FEBDMO CC(C)[C@@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000056385443 540722531 /nfs/dbraw/zinc/72/25/31/540722531.db2.gz SXYBJRRKLVQUHG-RHSMWYFYSA-N 1 1 364.446 2.312 20 5 FEBDMO C[NH+]1CCN([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])c2cccs2)CC1 ZINC000057288334 540785967 /nfs/dbraw/zinc/78/59/67/540785967.db2.gz MIRVIGZJBJPSBD-MRXNPFEDSA-N 1 1 374.466 2.375 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000063827924 541187347 /nfs/dbraw/zinc/18/73/47/541187347.db2.gz LJYIXHHNBFERHQ-GASCZTMLSA-N 1 1 351.451 2.056 20 5 FEBDMO C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066001541 541277308 /nfs/dbraw/zinc/27/73/08/541277308.db2.gz VFVYBVOJAAADOA-NSHDSACASA-N 1 1 361.489 2.445 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066001541 541277313 /nfs/dbraw/zinc/27/73/13/541277313.db2.gz VFVYBVOJAAADOA-NSHDSACASA-N 1 1 361.489 2.445 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000066327347 541302101 /nfs/dbraw/zinc/30/21/01/541302101.db2.gz UIGCQVGKLCAPLA-SECBINFHSA-N 1 1 361.470 2.299 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000067164658 541427469 /nfs/dbraw/zinc/42/74/69/541427469.db2.gz XJXISPVZCAJYJE-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO COc1ccc(CC(=O)NCC[NH+]2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000067914041 541527938 /nfs/dbraw/zinc/52/79/38/541527938.db2.gz ABGKQRNAZQZNBZ-UHFFFAOYSA-N 1 1 355.394 2.278 20 5 FEBDMO CCC[N@H+]1CC[C@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069295838 541675360 /nfs/dbraw/zinc/67/53/60/541675360.db2.gz NGWBAYOHPIHKNB-CQSZACIVSA-N 1 1 350.419 2.005 20 5 FEBDMO COCCOC[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072796467 541866498 /nfs/dbraw/zinc/86/64/98/541866498.db2.gz OEBMTRMRKNBRGK-OAHLLOKOSA-N 1 1 365.430 2.217 20 5 FEBDMO CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000073796196 542001414 /nfs/dbraw/zinc/00/14/14/542001414.db2.gz GQBSMWHFJRJYDN-CQSZACIVSA-N 1 1 372.429 2.413 20 5 FEBDMO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074448491 542085494 /nfs/dbraw/zinc/08/54/94/542085494.db2.gz PNBBIDDIZYTKQC-QGZVFWFLSA-N 1 1 371.441 2.304 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000801546643 674134735 /nfs/dbraw/zinc/13/47/35/674134735.db2.gz NRVDOGAJZOHNKO-VXGBXAGGSA-N 1 1 372.263 2.244 20 5 FEBDMO CCO[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000076405106 542274886 /nfs/dbraw/zinc/27/48/86/542274886.db2.gz UUOQNEXBOGUOGT-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000076480208 542283201 /nfs/dbraw/zinc/28/32/01/542283201.db2.gz CBNLUQDSGDXNQL-IUODEOHRSA-N 1 1 353.394 2.301 20 5 FEBDMO C[NH+](C)CCNC(=O)c1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000076893934 542328408 /nfs/dbraw/zinc/32/84/08/542328408.db2.gz MAEMBZGPYRSMFJ-UHFFFAOYSA-N 1 1 356.426 2.176 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[N@@H+](CC(C)C)CC1 ZINC000077363689 542372853 /nfs/dbraw/zinc/37/28/53/542372853.db2.gz ZWFQEIQLRQVWHC-UHFFFAOYSA-N 1 1 364.446 2.206 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC000079721223 542538320 /nfs/dbraw/zinc/53/83/20/542538320.db2.gz RXQKBYCXOGQEKR-KRWDZBQOSA-N 1 1 371.441 2.005 20 5 FEBDMO CCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081520933 542663143 /nfs/dbraw/zinc/66/31/43/542663143.db2.gz JMWINYXNDDYGTL-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO CCOC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081520933 542663147 /nfs/dbraw/zinc/66/31/47/542663147.db2.gz JMWINYXNDDYGTL-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H](C(N)=O)O1 ZINC000092005903 542837020 /nfs/dbraw/zinc/83/70/20/542837020.db2.gz NAUTWUFLKWMWDT-ABAIWWIYSA-N 1 1 361.423 2.398 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C[C@@H](C(N)=O)O1 ZINC000092005903 542837023 /nfs/dbraw/zinc/83/70/23/542837023.db2.gz NAUTWUFLKWMWDT-ABAIWWIYSA-N 1 1 361.423 2.398 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000092692721 542881743 /nfs/dbraw/zinc/88/17/43/542881743.db2.gz RBLDIIPVOUGNBD-UHFFFAOYSA-N 1 1 372.429 2.400 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc([N+](=O)[O-])c1F ZINC000093019929 542902411 /nfs/dbraw/zinc/90/24/11/542902411.db2.gz WTCJZBAIHSMYPP-OCCSQVGLSA-N 1 1 371.434 2.147 20 5 FEBDMO Cn1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093645998 542936042 /nfs/dbraw/zinc/93/60/42/542936042.db2.gz QBQCEFKBWDGLJB-UHFFFAOYSA-N 1 1 367.413 2.493 20 5 FEBDMO Cc1ccc([C@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)[NH+]2CCCC2)o1 ZINC000101527447 543029146 /nfs/dbraw/zinc/02/91/46/543029146.db2.gz RWQQCSLATIMQGX-ZDUSSCGKSA-N 1 1 361.402 2.105 20 5 FEBDMO COc1ccnc(N2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000104716938 543138112 /nfs/dbraw/zinc/13/81/12/543138112.db2.gz YTBJUFZBIUBIPC-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO COc1cc[nH+]c(N2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000104716938 543138116 /nfs/dbraw/zinc/13/81/16/543138116.db2.gz YTBJUFZBIUBIPC-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891890 543253128 /nfs/dbraw/zinc/25/31/28/543253128.db2.gz JWPPTIWNBCWCDK-ZDUSSCGKSA-N 1 1 353.444 2.198 20 5 FEBDMO Cn1cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108306057 543285693 /nfs/dbraw/zinc/28/56/93/543285693.db2.gz FVDFJCPBDBLDFD-OAHLLOKOSA-N 1 1 369.425 2.209 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000108326772 543286377 /nfs/dbraw/zinc/28/63/77/543286377.db2.gz RIYVUOJZIQSSCU-JTQLQIEISA-N 1 1 373.356 2.276 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000110355918 543355993 /nfs/dbraw/zinc/35/59/93/543355993.db2.gz DIXKJZFAWNCOOF-CQSZACIVSA-N 1 1 359.430 2.127 20 5 FEBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000110975313 543376402 /nfs/dbraw/zinc/37/64/02/543376402.db2.gz ITDVHJFCJORZPN-CYBMUJFWSA-N 1 1 351.451 2.267 20 5 FEBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000110975316 543376560 /nfs/dbraw/zinc/37/65/60/543376560.db2.gz ITDVHJFCJORZPN-ZDUSSCGKSA-N 1 1 351.451 2.267 20 5 FEBDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000110871086 543371005 /nfs/dbraw/zinc/37/10/05/543371005.db2.gz KCYLNVSBBILGGT-UHFFFAOYSA-N 1 1 359.430 2.338 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000111352595 543398624 /nfs/dbraw/zinc/39/86/24/543398624.db2.gz XXIHIAPTOHHDIT-LBPRGKRZSA-N 1 1 361.851 2.401 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000112466525 543447819 /nfs/dbraw/zinc/44/78/19/543447819.db2.gz WYBUJHCEERTUFI-UHFFFAOYSA-N 1 1 363.462 2.158 20 5 FEBDMO CC(C)(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)n1cc([N+](=O)[O-])cn1 ZINC000114645078 543527758 /nfs/dbraw/zinc/52/77/58/543527758.db2.gz DOQBOFVTQRMEKD-MRXNPFEDSA-N 1 1 371.441 2.307 20 5 FEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869733 543728482 /nfs/dbraw/zinc/72/84/82/543728482.db2.gz KJLSRYHFMVEZOK-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO CN(C(=O)C[N@H+]1CCC[C@H](Cc2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000123713653 543778550 /nfs/dbraw/zinc/77/85/50/543778550.db2.gz HNTNNEAEXSOQBV-OAHLLOKOSA-N 1 1 371.441 2.246 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000123619543 543772450 /nfs/dbraw/zinc/77/24/50/543772450.db2.gz JPQLPQDVVZFYBX-CABCVRRESA-N 1 1 365.455 2.180 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000127205533 543978564 /nfs/dbraw/zinc/97/85/64/543978564.db2.gz DEHSZUIOHHSFGM-TXEJJXNPSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc1OC ZINC000127205533 543978566 /nfs/dbraw/zinc/97/85/66/543978566.db2.gz DEHSZUIOHHSFGM-TXEJJXNPSA-N 1 1 351.403 2.167 20 5 FEBDMO CCC1(CO)CC[NH+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000128270649 544042547 /nfs/dbraw/zinc/04/25/47/544042547.db2.gz HFGHFGCRQOKCQL-CYBMUJFWSA-N 1 1 365.430 2.415 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1CCOC ZINC000130984455 544173213 /nfs/dbraw/zinc/17/32/13/544173213.db2.gz YNDRETLHCGUZKP-OAHLLOKOSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1CCOC ZINC000130984455 544173214 /nfs/dbraw/zinc/17/32/14/544173214.db2.gz YNDRETLHCGUZKP-OAHLLOKOSA-N 1 1 365.430 2.176 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1 ZINC000131712577 544203237 /nfs/dbraw/zinc/20/32/37/544203237.db2.gz RRAJEAJOGISRTD-HNNXBMFYSA-N 1 1 373.409 2.068 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000131857158 544209326 /nfs/dbraw/zinc/20/93/26/544209326.db2.gz LALYJKHOAVXUPH-MRXNPFEDSA-N 1 1 371.441 2.304 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H](COC)Cc1ccccc1 ZINC000132372545 544228929 /nfs/dbraw/zinc/22/89/29/544228929.db2.gz MKJIONUJSQIGPI-SFHVURJKSA-N 1 1 359.426 2.336 20 5 FEBDMO CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000133738220 544281634 /nfs/dbraw/zinc/28/16/34/544281634.db2.gz AIDAIKNCJXIZFS-UHFFFAOYSA-N 1 1 368.437 2.489 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@@H](CO)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000134371978 544305709 /nfs/dbraw/zinc/30/57/09/544305709.db2.gz DHHXOVWYPMJOQB-HNNXBMFYSA-N 1 1 353.419 2.271 20 5 FEBDMO CCOC(=O)c1ccnc(N2CCC(Cc3[nH+]ccn3C)CC2)c1[N+](=O)[O-] ZINC000134195242 544298594 /nfs/dbraw/zinc/29/85/94/544298594.db2.gz AWCPWFHUYWXUTP-UHFFFAOYSA-N 1 1 373.413 2.359 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)NCCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000137232526 544387335 /nfs/dbraw/zinc/38/73/35/544387335.db2.gz JGTBEWCUEORSFQ-UHFFFAOYSA-N 1 1 369.425 2.373 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000137326244 544388723 /nfs/dbraw/zinc/38/87/23/544388723.db2.gz WRNPRHRPYSYQBY-CYBMUJFWSA-N 1 1 367.471 2.093 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000137567083 544391500 /nfs/dbraw/zinc/39/15/00/544391500.db2.gz BKICMUVXWBKUDV-LBPRGKRZSA-N 1 1 353.444 2.015 20 5 FEBDMO C[C@H]1C[C@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000150876628 544482423 /nfs/dbraw/zinc/48/24/23/544482423.db2.gz DJZMFJKRPYZLMY-DZGCQCFKSA-N 1 1 356.430 2.456 20 5 FEBDMO CC(C)COC(=O)N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153874576 544835153 /nfs/dbraw/zinc/83/51/53/544835153.db2.gz SZWWHPRUJDDMSS-QGZVFWFLSA-N 1 1 365.430 2.429 20 5 FEBDMO CC(C)COC(=O)N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153874576 544835155 /nfs/dbraw/zinc/83/51/55/544835155.db2.gz SZWWHPRUJDDMSS-QGZVFWFLSA-N 1 1 365.430 2.429 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000153859738 544832019 /nfs/dbraw/zinc/83/20/19/544832019.db2.gz CTWAIIJODLZEDD-KRWDZBQOSA-N 1 1 358.394 2.401 20 5 FEBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000153930974 544842052 /nfs/dbraw/zinc/84/20/52/544842052.db2.gz HGMSTBBNAUWJBS-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000153930974 544842056 /nfs/dbraw/zinc/84/20/56/544842056.db2.gz HGMSTBBNAUWJBS-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO CNC(=O)CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000154621166 544929888 /nfs/dbraw/zinc/92/98/88/544929888.db2.gz OAJSZOSTPAWUNN-JTQLQIEISA-N 1 1 356.810 2.033 20 5 FEBDMO C[C@H](NC(=O)c1cc(F)ccc1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000155166421 544996733 /nfs/dbraw/zinc/99/67/33/544996733.db2.gz FTRGDSFXKPDOOK-ZDUSSCGKSA-N 1 1 365.405 2.497 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000552999383 674233032 /nfs/dbraw/zinc/23/30/32/674233032.db2.gz BVOKLXGJRXEYKA-CYBMUJFWSA-N 1 1 367.471 2.389 20 5 FEBDMO CC[N@H+]1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000552999383 674233033 /nfs/dbraw/zinc/23/30/33/674233033.db2.gz BVOKLXGJRXEYKA-CYBMUJFWSA-N 1 1 367.471 2.389 20 5 FEBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)cs1 ZINC000185074265 327898103 /nfs/dbraw/zinc/89/81/03/327898103.db2.gz UCLDBYKNJBASPH-UHFFFAOYSA-N 1 1 352.391 2.317 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(Cn3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000186233824 327953113 /nfs/dbraw/zinc/95/31/13/327953113.db2.gz XTVLOOSALCABDQ-CQSZACIVSA-N 1 1 372.429 2.234 20 5 FEBDMO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000187308837 328015507 /nfs/dbraw/zinc/01/55/07/328015507.db2.gz DTYLPGVXSCJMJX-UHFFFAOYSA-N 1 1 372.834 2.028 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187903652 328053498 /nfs/dbraw/zinc/05/34/98/328053498.db2.gz MIVMSQVSNMEIAL-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO CC(C)c1ccc(C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000188136865 328068578 /nfs/dbraw/zinc/06/85/78/328068578.db2.gz HOELSJUOSAJMLF-OAHLLOKOSA-N 1 1 362.474 2.474 20 5 FEBDMO C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1CC(C)(C)O ZINC000188897567 328116456 /nfs/dbraw/zinc/11/64/56/328116456.db2.gz GWPGQTVHOWVKHN-GFCCVEGCSA-N 1 1 373.400 2.473 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000190023183 328183278 /nfs/dbraw/zinc/18/32/78/328183278.db2.gz RIYDYGPAQLVPKR-LSDHHAIUSA-N 1 1 367.471 2.459 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000190077910 328186020 /nfs/dbraw/zinc/18/60/20/328186020.db2.gz DGXUFSHFSXETKN-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000190120199 328189573 /nfs/dbraw/zinc/18/95/73/328189573.db2.gz ZYOMNCDOMILUNM-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000190120199 328189574 /nfs/dbraw/zinc/18/95/74/328189574.db2.gz ZYOMNCDOMILUNM-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO CC1CCN(c2ccc(C(=O)NCC(F)(F)C[NH3+])cc2[N+](=O)[O-])CC1 ZINC000190307202 328199173 /nfs/dbraw/zinc/19/91/73/328199173.db2.gz KFKHSESVEWFJKP-UHFFFAOYSA-N 1 1 356.373 2.155 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)n1 ZINC000191574066 328271876 /nfs/dbraw/zinc/27/18/76/328271876.db2.gz DFSXREMNYHEPGU-UHFFFAOYSA-N 1 1 372.360 2.374 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000191602434 328273494 /nfs/dbraw/zinc/27/34/94/328273494.db2.gz HTUPANDZFZSJMO-ZDUSSCGKSA-N 1 1 373.413 2.457 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000191987818 328292047 /nfs/dbraw/zinc/29/20/47/328292047.db2.gz BMXVUFRVVQSOHG-KGLIPLIRSA-N 1 1 355.460 2.315 20 5 FEBDMO C[N@@H+]1C[C@H]2CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]2C1 ZINC000192515390 328323268 /nfs/dbraw/zinc/32/32/68/328323268.db2.gz BEUFAMVHKJWUGO-BETUJISGSA-N 1 1 358.423 2.352 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000192805002 328340496 /nfs/dbraw/zinc/34/04/96/328340496.db2.gz OKGIFHMYDWNWDB-IBGZPJMESA-N 1 1 373.457 2.193 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000193691936 328389737 /nfs/dbraw/zinc/38/97/37/328389737.db2.gz FSMALCGSHACQAR-DOMZBBRYSA-N 1 1 356.382 2.088 20 5 FEBDMO C[N@H+]1CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C2(CCCCC2)C1 ZINC000081597703 325187837 /nfs/dbraw/zinc/18/78/37/325187837.db2.gz ASDDBHVJOFASCR-UHFFFAOYSA-N 1 1 372.469 2.434 20 5 FEBDMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168707 325214368 /nfs/dbraw/zinc/21/43/68/325214368.db2.gz JLLBDBOIRYXVSW-CYBMUJFWSA-N 1 1 358.398 2.474 20 5 FEBDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168707 325214371 /nfs/dbraw/zinc/21/43/71/325214371.db2.gz JLLBDBOIRYXVSW-CYBMUJFWSA-N 1 1 358.398 2.474 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)cc1 ZINC000090002270 325349151 /nfs/dbraw/zinc/34/91/51/325349151.db2.gz JCRASYOKRWUQJO-BBRMVZONSA-N 1 1 363.805 2.006 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H]1c1ccc(Cl)cc1 ZINC000090002270 325349153 /nfs/dbraw/zinc/34/91/53/325349153.db2.gz JCRASYOKRWUQJO-BBRMVZONSA-N 1 1 363.805 2.006 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000090551813 325362852 /nfs/dbraw/zinc/36/28/52/325362852.db2.gz FNSSRFBNHSMLJZ-SFHVURJKSA-N 1 1 357.410 2.128 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000109793950 325677713 /nfs/dbraw/zinc/67/77/13/325677713.db2.gz GJHQZDXPTAJNNW-CYBMUJFWSA-N 1 1 373.413 2.464 20 5 FEBDMO CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000116348543 326008596 /nfs/dbraw/zinc/00/85/96/326008596.db2.gz KIPWJYLTJBSQTA-RDJZCZTQSA-N 1 1 371.441 2.475 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000119028029 326119618 /nfs/dbraw/zinc/11/96/18/326119618.db2.gz IUKNBAVICKNJKJ-HNNXBMFYSA-N 1 1 372.429 2.236 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000119046236 326121569 /nfs/dbraw/zinc/12/15/69/326121569.db2.gz YUGLDYJUIMTECH-UHFFFAOYSA-N 1 1 352.416 2.119 20 5 FEBDMO Cc1c(CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000121709748 326360404 /nfs/dbraw/zinc/36/04/04/326360404.db2.gz GVFMBTZURIZZHT-SFHVURJKSA-N 1 1 374.485 2.074 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000171655237 327152614 /nfs/dbraw/zinc/15/26/14/327152614.db2.gz YMFOLTZTQAAMDB-UHFFFAOYSA-N 1 1 361.402 2.188 20 5 FEBDMO O=C(C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCOCC1 ZINC000172174784 327185476 /nfs/dbraw/zinc/18/54/76/327185476.db2.gz SMPOSDITHLPIRR-UHFFFAOYSA-N 1 1 367.833 2.319 20 5 FEBDMO Cc1nn(CCC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)c1[N+](=O)[O-] ZINC000172839765 327221634 /nfs/dbraw/zinc/22/16/34/327221634.db2.gz BPEULAAPENANOJ-OAHLLOKOSA-N 1 1 351.451 2.131 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173244184 327243637 /nfs/dbraw/zinc/24/36/37/327243637.db2.gz PTMOWNADTUXOSL-MFKMUULPSA-N 1 1 361.851 2.209 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173247646 327243915 /nfs/dbraw/zinc/24/39/15/327243915.db2.gz JPPYPIXQADAPGZ-PWSUYJOCSA-N 1 1 361.851 2.209 20 5 FEBDMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000173288892 327247459 /nfs/dbraw/zinc/24/74/59/327247459.db2.gz PRKSLGMPLYKDHJ-CSHXORCISA-N 1 1 372.469 2.237 20 5 FEBDMO Cc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000173290041 327247512 /nfs/dbraw/zinc/24/75/12/327247512.db2.gz DQXCJZTWYJJOFW-MRXNPFEDSA-N 1 1 360.458 2.145 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000173955981 327297497 /nfs/dbraw/zinc/29/74/97/327297497.db2.gz DOSZHVXGWQXMPJ-LBPRGKRZSA-N 1 1 359.423 2.086 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174020412 327302081 /nfs/dbraw/zinc/30/20/81/327302081.db2.gz QQLQBPXASCGNPI-LLVKDONJSA-N 1 1 361.851 2.211 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000174184435 327311172 /nfs/dbraw/zinc/31/11/72/327311172.db2.gz BMMJIBOQYHTHSS-CQSZACIVSA-N 1 1 364.446 2.477 20 5 FEBDMO C[N@@H+](Cc1ccccc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654364 327341728 /nfs/dbraw/zinc/34/17/28/327341728.db2.gz AYPYLURMETXIEZ-ZDUSSCGKSA-N 1 1 369.219 2.047 20 5 FEBDMO C[N@H+](Cc1ccccc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174654364 327341729 /nfs/dbraw/zinc/34/17/29/327341729.db2.gz AYPYLURMETXIEZ-ZDUSSCGKSA-N 1 1 369.219 2.047 20 5 FEBDMO CN1CCN([C@H]2CCCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174881806 327357996 /nfs/dbraw/zinc/35/79/96/327357996.db2.gz NEDQCMOEKVLFFG-SFHVURJKSA-N 1 1 362.474 2.076 20 5 FEBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000174940662 327362603 /nfs/dbraw/zinc/36/26/03/327362603.db2.gz NFOPZTKZGDNVHO-QGZVFWFLSA-N 1 1 371.441 2.162 20 5 FEBDMO CN1CC[N@@H+](C)C[C@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264968912 329079494 /nfs/dbraw/zinc/07/94/94/329079494.db2.gz QDVDTGOXJDNAIN-MRXNPFEDSA-N 1 1 361.471 2.054 20 5 FEBDMO COC(=O)[C@@H]1CC12CC[NH+]([C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000265080081 329088784 /nfs/dbraw/zinc/08/87/84/329088784.db2.gz RCWNSEVOFJDXEO-STQMWFEESA-N 1 1 361.398 2.197 20 5 FEBDMO C[NH+](C)CCN1CCC(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000265116743 329092525 /nfs/dbraw/zinc/09/25/25/329092525.db2.gz MIJNSTPXTGUNLX-UHFFFAOYSA-N 1 1 373.457 2.080 20 5 FEBDMO CC(C)[C@@H](CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000265689898 329150296 /nfs/dbraw/zinc/15/02/96/329150296.db2.gz FUKIPCJKHYBWOI-QGZVFWFLSA-N 1 1 363.458 2.345 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267068653 329288617 /nfs/dbraw/zinc/28/86/17/329288617.db2.gz VHSBLCCSNCRHKI-GXTWGEPZSA-N 1 1 353.394 2.097 20 5 FEBDMO C[C@H](CNc1ncc([N+](=O)[O-])cc1Br)C[NH+]1CCOCC1 ZINC000267178376 329299711 /nfs/dbraw/zinc/29/97/11/329299711.db2.gz BCTVTHZACXIMGH-SNVBAGLBSA-N 1 1 359.224 2.133 20 5 FEBDMO COCC[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000273317426 329855343 /nfs/dbraw/zinc/85/53/43/329855343.db2.gz VUXKYGJZFRNURP-HNNXBMFYSA-N 1 1 368.411 2.329 20 5 FEBDMO COc1ccc(NC(=O)CC[NH2+][C@@H](C)c2nnc(C)s2)c([N+](=O)[O-])c1 ZINC000273557621 329874695 /nfs/dbraw/zinc/87/46/95/329874695.db2.gz CSIDACKQMMYYSM-VIFPVBQESA-N 1 1 365.415 2.443 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275438704 330048863 /nfs/dbraw/zinc/04/88/63/330048863.db2.gz JYQYRUNTYWHXRZ-HNNXBMFYSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)c([N+](=O)[O-])c1 ZINC000276274745 330136117 /nfs/dbraw/zinc/13/61/17/330136117.db2.gz DIGBUGDXRWGTDX-LBPRGKRZSA-N 1 1 351.403 2.167 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000276604605 330169292 /nfs/dbraw/zinc/16/92/92/330169292.db2.gz OUOTYCFYBHOQAN-UHFFFAOYSA-N 1 1 368.865 2.314 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299697085 330199224 /nfs/dbraw/zinc/19/92/24/330199224.db2.gz OLVLWHILIAXMON-ZIAGYGMSSA-N 1 1 362.430 2.091 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367160261 330224322 /nfs/dbraw/zinc/22/43/22/330224322.db2.gz ZLTQPOLXICFECC-IRXDYDNUSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367160261 330224324 /nfs/dbraw/zinc/22/43/24/330224324.db2.gz ZLTQPOLXICFECC-IRXDYDNUSA-N 1 1 363.414 2.112 20 5 FEBDMO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCN(C)CC1 ZINC000371457497 330243985 /nfs/dbraw/zinc/24/39/85/330243985.db2.gz IOOJZTBPQBWRDN-WHWKNOJMSA-N 1 1 372.469 2.235 20 5 FEBDMO C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C1CCN(C)CC1 ZINC000371457497 330243987 /nfs/dbraw/zinc/24/39/87/330243987.db2.gz IOOJZTBPQBWRDN-WHWKNOJMSA-N 1 1 372.469 2.235 20 5 FEBDMO C[NH+]1CCC(Oc2ccc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)cn2)CC1 ZINC000477693144 561151267 /nfs/dbraw/zinc/15/12/67/561151267.db2.gz KHCUBEFXVMCFIL-UHFFFAOYSA-N 1 1 372.381 2.421 20 5 FEBDMO CC[NH+](CC)[C@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(OC)c1 ZINC000159447349 545954078 /nfs/dbraw/zinc/95/40/78/545954078.db2.gz QEUXLLBMRDYFQV-CQSZACIVSA-N 1 1 361.402 2.139 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159803749 545981668 /nfs/dbraw/zinc/98/16/68/545981668.db2.gz PDGXVIRWSPBNAK-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000160294984 546027007 /nfs/dbraw/zinc/02/70/07/546027007.db2.gz WGXWEAOVJPLMJC-CYBMUJFWSA-N 1 1 371.459 2.002 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N=c2cc[nH]c3cc[nH+]cc32)c1C ZINC000480002694 561201076 /nfs/dbraw/zinc/20/10/76/561201076.db2.gz BDEAKWLCHXVMHY-UHFFFAOYSA-N 1 1 358.379 2.378 20 5 FEBDMO C[C@@H](CN1CCOCC1)[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000176228746 546422259 /nfs/dbraw/zinc/42/22/59/546422259.db2.gz RBSQKFWKRBQXLU-KRWDZBQOSA-N 1 1 373.457 2.014 20 5 FEBDMO CCOC[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000176310446 546430029 /nfs/dbraw/zinc/43/00/29/546430029.db2.gz CTTMQBXOYAZDJU-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480511149 561210927 /nfs/dbraw/zinc/21/09/27/561210927.db2.gz LSPWBQOIIKCXST-CQSZACIVSA-N 1 1 357.414 2.454 20 5 FEBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1nc3cc([N+](=O)[O-])ccc3o1)CC2 ZINC000177126325 546549915 /nfs/dbraw/zinc/54/99/15/546549915.db2.gz KBWYOHFZAPJVFN-CVEARBPZSA-N 1 1 361.398 2.488 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000480854663 561218333 /nfs/dbraw/zinc/21/83/33/561218333.db2.gz ONSLHWDRQPCNMS-KBPBESRZSA-N 1 1 353.444 2.008 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000177861053 546697947 /nfs/dbraw/zinc/69/79/47/546697947.db2.gz PODNJSQWVSXVFI-ZDUSSCGKSA-N 1 1 350.419 2.087 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481379476 561231747 /nfs/dbraw/zinc/23/17/47/561231747.db2.gz ZSOMTSZZCZAMCU-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO O=C([C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000179891247 547024754 /nfs/dbraw/zinc/02/47/54/547024754.db2.gz XXJNNFASJFUPRX-ZVVFDCPKSA-N 1 1 359.426 2.179 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000180064787 547046705 /nfs/dbraw/zinc/04/67/05/547046705.db2.gz AXGYCHRWLRNIIT-NEPJUHHUSA-N 1 1 373.862 2.414 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000180479447 547114401 /nfs/dbraw/zinc/11/44/01/547114401.db2.gz VTQQNVRONNZIDF-LJQANCHMSA-N 1 1 369.421 2.482 20 5 FEBDMO Cc1ccc([C@H](C)[NH2+]C2CCN(CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000482894597 561262538 /nfs/dbraw/zinc/26/25/38/561262538.db2.gz CSPIHBJTSMXDKK-HNNXBMFYSA-N 1 1 362.474 2.497 20 5 FEBDMO CCC(CC)[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000180922478 547209978 /nfs/dbraw/zinc/20/99/78/547209978.db2.gz WFWDLAMNQGTIFX-INIZCTEOSA-N 1 1 364.446 2.044 20 5 FEBDMO C[C@@H](CO)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1CCC1 ZINC000483137539 561268486 /nfs/dbraw/zinc/26/84/86/561268486.db2.gz LRLZZAYURCLQNV-ZDUSSCGKSA-N 1 1 363.414 2.376 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181428898 547313996 /nfs/dbraw/zinc/31/39/96/547313996.db2.gz LOMFNIVHWFRRPC-WBMJQRKESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000181428898 547314003 /nfs/dbraw/zinc/31/40/03/547314003.db2.gz LOMFNIVHWFRRPC-WBMJQRKESA-N 1 1 351.403 2.025 20 5 FEBDMO C[N@H+](CCC1CCOCC1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181997298 547419590 /nfs/dbraw/zinc/41/95/90/547419590.db2.gz KRGKJDYQBLPNOT-UHFFFAOYSA-N 1 1 356.444 2.117 20 5 FEBDMO C[N@@H+](CCC1CCOCC1)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181997298 547419592 /nfs/dbraw/zinc/41/95/92/547419592.db2.gz KRGKJDYQBLPNOT-UHFFFAOYSA-N 1 1 356.444 2.117 20 5 FEBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCOCC1 ZINC000182026443 547424604 /nfs/dbraw/zinc/42/46/04/547424604.db2.gz GMATUFVFPSVWTB-CQSZACIVSA-N 1 1 367.833 2.319 20 5 FEBDMO C[N@@H+](CCOc1ccc(F)cc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182190428 547450148 /nfs/dbraw/zinc/45/01/48/547450148.db2.gz XVVVFVFXWAOSJC-OAHLLOKOSA-N 1 1 364.373 2.484 20 5 FEBDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182229909 547457044 /nfs/dbraw/zinc/45/70/44/547457044.db2.gz ZAWBHXKGGXVMKS-ZFWWWQNUSA-N 1 1 360.414 2.077 20 5 FEBDMO CC1([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183857277 547730144 /nfs/dbraw/zinc/73/01/44/547730144.db2.gz NIWWMUXADSXBQK-CQSZACIVSA-N 1 1 363.414 2.398 20 5 FEBDMO Cc1sc(C(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000184196018 547784577 /nfs/dbraw/zinc/78/45/77/547784577.db2.gz NWJRDZLIZGBGKL-UHFFFAOYSA-N 1 1 354.476 2.111 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000184341187 547810252 /nfs/dbraw/zinc/81/02/52/547810252.db2.gz FQRATFKLVAYSHO-CYBMUJFWSA-N 1 1 366.487 2.073 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000185179070 547946912 /nfs/dbraw/zinc/94/69/12/547946912.db2.gz NWKWMNUCDBMINL-GXTWGEPZSA-N 1 1 353.394 2.064 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000485596816 561323547 /nfs/dbraw/zinc/32/35/47/561323547.db2.gz UJSVDJLRLRYCAO-GFCCVEGCSA-N 1 1 366.393 2.451 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000185903893 548055367 /nfs/dbraw/zinc/05/53/67/548055367.db2.gz WEFFCHSYTIEEJD-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000185903893 548055372 /nfs/dbraw/zinc/05/53/72/548055372.db2.gz WEFFCHSYTIEEJD-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000186891095 548212879 /nfs/dbraw/zinc/21/28/79/548212879.db2.gz AARCWWZFVNILJG-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000186891095 548212884 /nfs/dbraw/zinc/21/28/84/548212884.db2.gz AARCWWZFVNILJG-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC2(N(C)C)CCC2)c([N+](=O)[O-])c1 ZINC000186961854 548228602 /nfs/dbraw/zinc/22/86/02/548228602.db2.gz HTXKCZPTFDQJLM-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO COc1ccc(NC(=O)CCN(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000186961854 548228605 /nfs/dbraw/zinc/22/86/05/548228605.db2.gz HTXKCZPTFDQJLM-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO COc1cc[nH+]c(N2CCN(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)c1 ZINC000193875529 548400199 /nfs/dbraw/zinc/40/01/99/548400199.db2.gz YNHUVLPMAZIYMM-UHFFFAOYSA-N 1 1 373.369 2.229 20 5 FEBDMO CC[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[N@H+]1CCOC ZINC000486931659 561359892 /nfs/dbraw/zinc/35/98/92/561359892.db2.gz FTCDVDAWUQMBDL-CQSZACIVSA-N 1 1 361.402 2.192 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000245441761 548922400 /nfs/dbraw/zinc/92/24/00/548922400.db2.gz HOPAWBQERYACSA-RHSMWYFYSA-N 1 1 367.409 2.282 20 5 FEBDMO O=C1[C@H]([N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCN1c1ccccc1 ZINC000245441761 548922404 /nfs/dbraw/zinc/92/24/04/548922404.db2.gz HOPAWBQERYACSA-RHSMWYFYSA-N 1 1 367.409 2.282 20 5 FEBDMO CC(C)[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487953543 561379880 /nfs/dbraw/zinc/37/98/80/561379880.db2.gz RISSLKYOKDHZMR-HNNXBMFYSA-N 1 1 354.838 2.459 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245869056 549006494 /nfs/dbraw/zinc/00/64/94/549006494.db2.gz GPWUFZHDHALEOS-GOEBONIOSA-N 1 1 369.487 2.129 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246802167 549216541 /nfs/dbraw/zinc/21/65/41/549216541.db2.gz JBNASTSNDBIFDA-CZUORRHYSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246802167 549216545 /nfs/dbraw/zinc/21/65/45/549216545.db2.gz JBNASTSNDBIFDA-CZUORRHYSA-N 1 1 353.444 2.156 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246959574 549252221 /nfs/dbraw/zinc/25/22/21/549252221.db2.gz INNSLAKYICPIRK-HOCLYGCPSA-N 1 1 367.471 2.316 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000247245311 549306057 /nfs/dbraw/zinc/30/60/57/549306057.db2.gz ZEMJDCRQXPOKIC-DGCLKSJQSA-N 1 1 373.862 2.353 20 5 FEBDMO O=[N+]([O-])c1cc(F)ccc1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000247294811 549313545 /nfs/dbraw/zinc/31/35/45/549313545.db2.gz CCFTUMDQYGKZFS-UHFFFAOYSA-N 1 1 360.393 2.148 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248035844 549401449 /nfs/dbraw/zinc/40/14/49/549401449.db2.gz RRAJWBLCTLMCBJ-JSGCOSHPSA-N 1 1 371.434 2.147 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248409660 549431420 /nfs/dbraw/zinc/43/14/20/549431420.db2.gz XCDWSPSIAJWYSP-UONOGXRCSA-N 1 1 365.434 2.248 20 5 FEBDMO C[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000249832741 549632755 /nfs/dbraw/zinc/63/27/55/549632755.db2.gz PUXLQLUTHTVPGG-AZUAARDMSA-N 1 1 371.437 2.323 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000253554027 549694941 /nfs/dbraw/zinc/69/49/41/549694941.db2.gz MERHTPXYRYDQPK-SJKOYZFVSA-N 1 1 370.409 2.405 20 5 FEBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255553363 549707499 /nfs/dbraw/zinc/70/74/99/549707499.db2.gz UZBUDPOECWFCEM-QKIRZYONSA-N 1 1 367.471 2.402 20 5 FEBDMO CN(CC(=O)N1CC[NH2+]C[C@@H]1c1cccc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000261965741 549774525 /nfs/dbraw/zinc/77/45/25/549774525.db2.gz MVRNBRDHJYVBIE-GOSISDBHSA-N 1 1 372.400 2.343 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000490452175 561433392 /nfs/dbraw/zinc/43/33/92/561433392.db2.gz GZRABLMOTUENKI-NSHDSACASA-N 1 1 373.500 2.460 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000490452175 561433393 /nfs/dbraw/zinc/43/33/93/561433393.db2.gz GZRABLMOTUENKI-NSHDSACASA-N 1 1 373.500 2.460 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc([N+](=O)[O-])c1OC ZINC000268999337 550142604 /nfs/dbraw/zinc/14/26/04/550142604.db2.gz JNHJANSWYDSAPT-TZMCWYRMSA-N 1 1 363.414 2.168 20 5 FEBDMO CCN1CC[NH+](CCC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000269155606 550161825 /nfs/dbraw/zinc/16/18/25/550161825.db2.gz RKHVYEYPIVNOSQ-UHFFFAOYSA-N 1 1 360.458 2.113 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000269413746 550192761 /nfs/dbraw/zinc/19/27/61/550192761.db2.gz XVDVOEMITLGNQI-GFCCVEGCSA-N 1 1 352.387 2.387 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000269413746 550192762 /nfs/dbraw/zinc/19/27/62/550192762.db2.gz XVDVOEMITLGNQI-GFCCVEGCSA-N 1 1 352.387 2.387 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000270743863 550302849 /nfs/dbraw/zinc/30/28/49/550302849.db2.gz YGKAHTUJOOBZMA-UHFFFAOYSA-N 1 1 357.414 2.337 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccco1 ZINC000271338083 550366471 /nfs/dbraw/zinc/36/64/71/550366471.db2.gz STIWJERODATVFU-LBPRGKRZSA-N 1 1 361.383 2.225 20 5 FEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272277412 550433577 /nfs/dbraw/zinc/43/35/77/550433577.db2.gz MFBGVAYIWVMTNN-SNVBAGLBSA-N 1 1 374.340 2.242 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C1 ZINC000272277412 550433579 /nfs/dbraw/zinc/43/35/79/550433579.db2.gz MFBGVAYIWVMTNN-SNVBAGLBSA-N 1 1 374.340 2.242 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000272298046 550435820 /nfs/dbraw/zinc/43/58/20/550435820.db2.gz IGKVPHSMDTUHOV-KGLIPLIRSA-N 1 1 355.460 2.225 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000272330695 550438335 /nfs/dbraw/zinc/43/83/35/550438335.db2.gz LMGQVRXADWYGME-NEPJUHHUSA-N 1 1 361.427 2.298 20 5 FEBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538939 550456513 /nfs/dbraw/zinc/45/65/13/550456513.db2.gz RONGCKMOZDWFHZ-QWHCGFSZSA-N 1 1 353.423 2.026 20 5 FEBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2nonc21 ZINC000273045686 550482253 /nfs/dbraw/zinc/48/22/53/550482253.db2.gz ARRHNKAHLXCFOH-CQSZACIVSA-N 1 1 369.381 2.310 20 5 FEBDMO Cc1cc(C[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC000273979207 550517922 /nfs/dbraw/zinc/51/79/22/550517922.db2.gz HOQAGMUGOFKRMI-UHFFFAOYSA-N 1 1 356.386 2.480 20 5 FEBDMO Cc1cc(C[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)no1 ZINC000273979207 550517924 /nfs/dbraw/zinc/51/79/24/550517924.db2.gz HOQAGMUGOFKRMI-UHFFFAOYSA-N 1 1 356.386 2.480 20 5 FEBDMO CS[C@@H]1CN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274847382 550558979 /nfs/dbraw/zinc/55/89/79/550558979.db2.gz AICDPGJTOPLUIS-NWDGAFQWSA-N 1 1 367.475 2.093 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](OCC2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494652247 561473520 /nfs/dbraw/zinc/47/35/20/561473520.db2.gz RXBDCCOINUXZCX-QGZVFWFLSA-N 1 1 359.426 2.375 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](OCC2CC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000494652247 561473521 /nfs/dbraw/zinc/47/35/21/561473521.db2.gz RXBDCCOINUXZCX-QGZVFWFLSA-N 1 1 359.426 2.375 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000279107593 550854736 /nfs/dbraw/zinc/85/47/36/550854736.db2.gz BMLPXJHCNWBXRF-DOMZBBRYSA-N 1 1 364.421 2.356 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280102458 550960991 /nfs/dbraw/zinc/96/09/91/550960991.db2.gz PDKPTVMBZYYXKB-PXAZEXFGSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@](C)(O)CC1 ZINC000280102458 550960993 /nfs/dbraw/zinc/96/09/93/550960993.db2.gz PDKPTVMBZYYXKB-PXAZEXFGSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000496261020 561493256 /nfs/dbraw/zinc/49/32/56/561493256.db2.gz HBIMUZITMNQOFK-HNNXBMFYSA-N 1 1 357.414 2.445 20 5 FEBDMO COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)cc1 ZINC000496464799 561494068 /nfs/dbraw/zinc/49/40/68/561494068.db2.gz DURYWPKUUMTGCC-UHFFFAOYSA-N 1 1 372.425 2.290 20 5 FEBDMO COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([N+](=O)[O-])n3C)CC2)cc1 ZINC000496464799 561494069 /nfs/dbraw/zinc/49/40/69/561494069.db2.gz DURYWPKUUMTGCC-UHFFFAOYSA-N 1 1 372.425 2.290 20 5 FEBDMO Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281419602 551094805 /nfs/dbraw/zinc/09/48/05/551094805.db2.gz OQWKEJYXEGVUCF-MAUKXSAKSA-N 1 1 360.414 2.295 20 5 FEBDMO Cn1nccc1[C@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281419602 551094807 /nfs/dbraw/zinc/09/48/07/551094807.db2.gz OQWKEJYXEGVUCF-MAUKXSAKSA-N 1 1 360.414 2.295 20 5 FEBDMO COC(=O)[C@]1(C)C[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000281939720 551160599 /nfs/dbraw/zinc/16/05/99/551160599.db2.gz BKXSCLDGGFZVMF-KZULUSFZSA-N 1 1 363.414 2.363 20 5 FEBDMO CN1CCO[C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000284417880 551545070 /nfs/dbraw/zinc/54/50/70/551545070.db2.gz RAFGWVVTKBZQCH-HIFRSBDPSA-N 1 1 357.357 2.101 20 5 FEBDMO CN1CCO[C@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000284417880 551545072 /nfs/dbraw/zinc/54/50/72/551545072.db2.gz RAFGWVVTKBZQCH-HIFRSBDPSA-N 1 1 357.357 2.101 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C[C@@H]1C ZINC000498556493 561528231 /nfs/dbraw/zinc/52/82/31/561528231.db2.gz QHYBHGJLYTYFBM-KBPBESRZSA-N 1 1 372.425 2.463 20 5 FEBDMO C[C@@H]1CC[N@@H+](C)CCN1c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000498918471 561537955 /nfs/dbraw/zinc/53/79/55/561537955.db2.gz QIAOJPQLQDSEMF-CYBMUJFWSA-N 1 1 357.414 2.090 20 5 FEBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1Cc1ccccc1 ZINC000285861022 551819890 /nfs/dbraw/zinc/81/98/90/551819890.db2.gz YYZXARKXBWMISM-AWEZNQCLSA-N 1 1 372.400 2.315 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C[C@@H]1Cc1ccccc1 ZINC000285861022 551819891 /nfs/dbraw/zinc/81/98/91/551819891.db2.gz YYZXARKXBWMISM-AWEZNQCLSA-N 1 1 372.400 2.315 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H](C)[S@]1=O ZINC000286205152 551861058 /nfs/dbraw/zinc/86/10/58/551861058.db2.gz YCFZRFOMMSTTDK-CRWJGOAPSA-N 1 1 367.471 2.463 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H](C)[S@]1=O ZINC000286205152 551861060 /nfs/dbraw/zinc/86/10/60/551861060.db2.gz YCFZRFOMMSTTDK-CRWJGOAPSA-N 1 1 367.471 2.463 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286704523 551917006 /nfs/dbraw/zinc/91/70/06/551917006.db2.gz WLYAUUZNNPVSOO-GXTWGEPZSA-N 1 1 362.304 2.056 20 5 FEBDMO COC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286704523 551917007 /nfs/dbraw/zinc/91/70/07/551917007.db2.gz WLYAUUZNNPVSOO-GXTWGEPZSA-N 1 1 362.304 2.056 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288226136 552114056 /nfs/dbraw/zinc/11/40/56/552114056.db2.gz DBSBPYMTZIOTND-SNVBAGLBSA-N 1 1 350.375 2.286 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000288226136 552114059 /nfs/dbraw/zinc/11/40/59/552114059.db2.gz DBSBPYMTZIOTND-SNVBAGLBSA-N 1 1 350.375 2.286 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000289007992 552251631 /nfs/dbraw/zinc/25/16/31/552251631.db2.gz MWIBLGQXWSNGMO-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000500153175 561566999 /nfs/dbraw/zinc/56/69/99/561566999.db2.gz YCWOHWSROPCOHT-LBPRGKRZSA-N 1 1 359.423 2.277 20 5 FEBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688370 552362582 /nfs/dbraw/zinc/36/25/82/552362582.db2.gz ODKDYJOSCCFPMD-SWLSCSKDSA-N 1 1 371.384 2.491 20 5 FEBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000289688370 552362583 /nfs/dbraw/zinc/36/25/83/552362583.db2.gz ODKDYJOSCCFPMD-SWLSCSKDSA-N 1 1 371.384 2.491 20 5 FEBDMO Cn1cncc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289705862 552365329 /nfs/dbraw/zinc/36/53/29/552365329.db2.gz DSGVQQVGWHMALY-UHFFFAOYSA-N 1 1 372.166 2.223 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000290924606 552563482 /nfs/dbraw/zinc/56/34/82/552563482.db2.gz MVOUZGOYNYUZIO-LBPRGKRZSA-N 1 1 353.419 2.462 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291820853 552665098 /nfs/dbraw/zinc/66/50/98/552665098.db2.gz NVFBBIXANPPLRX-LBPRGKRZSA-N 1 1 357.357 2.181 20 5 FEBDMO COc1cc(C[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000292168722 552700477 /nfs/dbraw/zinc/70/04/77/552700477.db2.gz LPFCJRRHSHDMTJ-DIFFPNOSSA-N 1 1 361.373 2.490 20 5 FEBDMO C[N@@H+]1CC[C@]2(CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239968 552707682 /nfs/dbraw/zinc/70/76/82/552707682.db2.gz WQNRBHPHZGQVHR-KRWDZBQOSA-N 1 1 350.394 2.090 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292239968 552707684 /nfs/dbraw/zinc/70/76/84/552707684.db2.gz WQNRBHPHZGQVHR-KRWDZBQOSA-N 1 1 350.394 2.090 20 5 FEBDMO C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000292444665 552727229 /nfs/dbraw/zinc/72/72/29/552727229.db2.gz XHHSLVIZRQRCEP-OAHLLOKOSA-N 1 1 360.458 2.364 20 5 FEBDMO O=c1nc([C@H]2CCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)C2)[nH][nH]1 ZINC000293440932 552823951 /nfs/dbraw/zinc/82/39/51/552823951.db2.gz BWEVJAIOMIBAFG-VIFPVBQESA-N 1 1 371.319 2.405 20 5 FEBDMO Cc1c(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000293962957 552871204 /nfs/dbraw/zinc/87/12/04/552871204.db2.gz LGOPJIBZGKMQIZ-AOOOYVTPSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000293962957 552871206 /nfs/dbraw/zinc/87/12/06/552871206.db2.gz LGOPJIBZGKMQIZ-AOOOYVTPSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000294223556 552889269 /nfs/dbraw/zinc/88/92/69/552889269.db2.gz RFNXKOKDRPWDPS-KRWDZBQOSA-N 1 1 362.386 2.369 20 5 FEBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295113563 552960116 /nfs/dbraw/zinc/96/01/16/552960116.db2.gz LZVCKYYAXXBJAV-HIFRSBDPSA-N 1 1 370.247 2.262 20 5 FEBDMO COc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000295272963 552979867 /nfs/dbraw/zinc/97/98/67/552979867.db2.gz GYNJDLHJYWQKCH-NSHDSACASA-N 1 1 351.378 2.299 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296855435 553221012 /nfs/dbraw/zinc/22/10/12/553221012.db2.gz TYZXNFCRMFRVQO-CHWSQXEVSA-N 1 1 353.419 2.473 20 5 FEBDMO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000502896980 561629388 /nfs/dbraw/zinc/62/93/88/561629388.db2.gz SSRFRABEOOWVEZ-ZDUSSCGKSA-N 1 1 371.401 2.422 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1 ZINC000297087648 553251896 /nfs/dbraw/zinc/25/18/96/553251896.db2.gz QVKHVMWWOOXYJT-GOOCMWNKSA-N 1 1 361.398 2.127 20 5 FEBDMO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000297463797 553296041 /nfs/dbraw/zinc/29/60/41/553296041.db2.gz NFEDKFFJCWCBHD-LBPRGKRZSA-N 1 1 356.810 2.217 20 5 FEBDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000297923496 553358135 /nfs/dbraw/zinc/35/81/35/553358135.db2.gz QPKGJAWMTGDPBB-STQMWFEESA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000299252070 553536995 /nfs/dbraw/zinc/53/69/95/553536995.db2.gz KTNAZMCGXKMTCM-UHFFFAOYSA-N 1 1 373.413 2.252 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000299255836 553537852 /nfs/dbraw/zinc/53/78/52/553537852.db2.gz KUVYPCTWDZDESK-UHFFFAOYSA-N 1 1 359.430 2.128 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000299627177 553591303 /nfs/dbraw/zinc/59/13/03/553591303.db2.gz XRYPTCVMQLPYTM-LBPRGKRZSA-N 1 1 363.443 2.330 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)C1 ZINC000301304050 553640480 /nfs/dbraw/zinc/64/04/80/553640480.db2.gz SSUOQFYLPGMWKH-KRWDZBQOSA-N 1 1 355.442 2.359 20 5 FEBDMO Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000301712741 553673586 /nfs/dbraw/zinc/67/35/86/553673586.db2.gz LJXLLOPJESZYCY-JKSUJKDBSA-N 1 1 368.441 2.458 20 5 FEBDMO CNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301879184 553687980 /nfs/dbraw/zinc/68/79/80/553687980.db2.gz LKIAXHWQQTZXGK-UHFFFAOYSA-N 1 1 364.446 2.394 20 5 FEBDMO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000302483473 553718479 /nfs/dbraw/zinc/71/84/79/553718479.db2.gz WYDHGKMADPWONN-LJQANCHMSA-N 1 1 356.426 2.371 20 5 FEBDMO COc1ccccc1[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000506439352 561698995 /nfs/dbraw/zinc/69/89/95/561698995.db2.gz ITGOXZPLROZTQB-KRWDZBQOSA-N 1 1 373.409 2.401 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330583497 554141560 /nfs/dbraw/zinc/14/15/60/554141560.db2.gz KLUMPXPBFBEXDB-GHMZBOCLSA-N 1 1 370.247 2.451 20 5 FEBDMO O=C1COc2ccc(C[N@@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)cc2N1 ZINC000508677491 561769378 /nfs/dbraw/zinc/76/93/78/561769378.db2.gz HLUMVXHDVYJYSE-ZDUSSCGKSA-N 1 1 369.381 2.007 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000331222109 554232960 /nfs/dbraw/zinc/23/29/60/554232960.db2.gz CKLZLFGMYGWDLH-LBPRGKRZSA-N 1 1 359.423 2.193 20 5 FEBDMO O=C(N1CCCC1)[C@]1(O)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000331363160 554251014 /nfs/dbraw/zinc/25/10/14/554251014.db2.gz AEBQXLDKCNTVMK-MEQKGCOVSA-N 1 1 359.426 2.057 20 5 FEBDMO Cc1csc([C@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000331415975 554260905 /nfs/dbraw/zinc/26/09/05/554260905.db2.gz HIXGQJGZJVLWLF-ZIAGYGMSSA-N 1 1 351.432 2.144 20 5 FEBDMO Cc1csc([C@H]2CCCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000331415975 554260907 /nfs/dbraw/zinc/26/09/07/554260907.db2.gz HIXGQJGZJVLWLF-ZIAGYGMSSA-N 1 1 351.432 2.144 20 5 FEBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502465 554275647 /nfs/dbraw/zinc/27/56/47/554275647.db2.gz LWDITHTWCIHCMV-BXKDBHETSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502465 554275649 /nfs/dbraw/zinc/27/56/49/554275649.db2.gz LWDITHTWCIHCMV-BXKDBHETSA-N 1 1 359.835 2.009 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000331655938 554302640 /nfs/dbraw/zinc/30/26/40/554302640.db2.gz LMQFSQNOUKBCJV-IKGGRYGDSA-N 1 1 361.442 2.429 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1O ZINC000331655938 554302642 /nfs/dbraw/zinc/30/26/42/554302642.db2.gz LMQFSQNOUKBCJV-IKGGRYGDSA-N 1 1 361.442 2.429 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000332216582 554402799 /nfs/dbraw/zinc/40/27/99/554402799.db2.gz ISWTWRXNYLAJJV-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000332224891 554404694 /nfs/dbraw/zinc/40/46/94/554404694.db2.gz LXBLMMOJTVIDCW-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000332337586 554428343 /nfs/dbraw/zinc/42/83/43/554428343.db2.gz WDZHPFVRAZPWOT-GJZGRUSLSA-N 1 1 370.247 2.262 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000510967130 561852506 /nfs/dbraw/zinc/85/25/06/561852506.db2.gz KELMRNLDTBYEEF-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000511072645 561855802 /nfs/dbraw/zinc/85/58/02/561855802.db2.gz GNOHTCFSEZICLZ-OAHLLOKOSA-N 1 1 374.393 2.238 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000511090144 561856494 /nfs/dbraw/zinc/85/64/94/561856494.db2.gz IBTRIDWHWAMRBY-QGZVFWFLSA-N 1 1 369.421 2.189 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000511090144 561856495 /nfs/dbraw/zinc/85/64/95/561856495.db2.gz IBTRIDWHWAMRBY-QGZVFWFLSA-N 1 1 369.421 2.189 20 5 FEBDMO CC(=O)N1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000360339632 554871315 /nfs/dbraw/zinc/87/13/15/554871315.db2.gz WXZSHCBSDDYLEC-SFHVURJKSA-N 1 1 361.442 2.495 20 5 FEBDMO CC(=O)N1CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000360339632 554871317 /nfs/dbraw/zinc/87/13/17/554871317.db2.gz WXZSHCBSDDYLEC-SFHVURJKSA-N 1 1 361.442 2.495 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1[N+](=O)[O-] ZINC000361391122 554920307 /nfs/dbraw/zinc/92/03/07/554920307.db2.gz IPXCPWFJGUWTBA-HZMBPMFUSA-N 1 1 363.443 2.365 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000363279888 555069709 /nfs/dbraw/zinc/06/97/09/555069709.db2.gz GBXREXGIUYHVJP-CQSZACIVSA-N 1 1 356.382 2.042 20 5 FEBDMO CCc1n[nH]c(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280869 555070267 /nfs/dbraw/zinc/07/02/67/555070267.db2.gz SKLGODHVPJTRLL-AWEZNQCLSA-N 1 1 357.414 2.227 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280869 555070268 /nfs/dbraw/zinc/07/02/68/555070268.db2.gz SKLGODHVPJTRLL-AWEZNQCLSA-N 1 1 357.414 2.227 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280869 555070269 /nfs/dbraw/zinc/07/02/69/555070269.db2.gz SKLGODHVPJTRLL-AWEZNQCLSA-N 1 1 357.414 2.227 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000363347521 555082361 /nfs/dbraw/zinc/08/23/61/555082361.db2.gz ISXFGHCWRPPBMA-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000363347521 555082363 /nfs/dbraw/zinc/08/23/63/555082363.db2.gz ISXFGHCWRPPBMA-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(CSCC(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000512117205 561892932 /nfs/dbraw/zinc/89/29/32/561892932.db2.gz RVSQMCWSVUCMTL-CHWSQXEVSA-N 1 1 367.471 2.388 20 5 FEBDMO COc1ccc(CSCC(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000512117205 561892934 /nfs/dbraw/zinc/89/29/34/561892934.db2.gz RVSQMCWSVUCMTL-CHWSQXEVSA-N 1 1 367.471 2.388 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCN(c2ncccn2)CC1 ZINC000364369849 555300393 /nfs/dbraw/zinc/30/03/93/555300393.db2.gz AAWPXYGFOWFHMT-UHFFFAOYSA-N 1 1 357.414 2.364 20 5 FEBDMO O=C(C[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000364434991 555313643 /nfs/dbraw/zinc/31/36/43/555313643.db2.gz PTODTCUODAFMTD-LJQANCHMSA-N 1 1 366.377 2.129 20 5 FEBDMO O=C(C[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12)Nc1ccccc1[N+](=O)[O-] ZINC000364434991 555313644 /nfs/dbraw/zinc/31/36/44/555313644.db2.gz PTODTCUODAFMTD-LJQANCHMSA-N 1 1 366.377 2.129 20 5 FEBDMO CCCN1CC[NH+](C2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000364835775 555411888 /nfs/dbraw/zinc/41/18/88/555411888.db2.gz WSOIPJFIABEERO-UHFFFAOYSA-N 1 1 374.485 2.156 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(c2cnccn2)CC1 ZINC000365519311 555597320 /nfs/dbraw/zinc/59/73/20/555597320.db2.gz XVFTVQKHUFRDJP-UHFFFAOYSA-N 1 1 357.414 2.364 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000365549704 555606050 /nfs/dbraw/zinc/60/60/50/555606050.db2.gz HROWPYNWBLUJER-CWRNSKLLSA-N 1 1 365.455 2.008 20 5 FEBDMO CN(C(=O)C[N@@H+]1CCC[C@H](c2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365641865 555629544 /nfs/dbraw/zinc/62/95/44/555629544.db2.gz VUHRFRWSZPZJNC-AWEZNQCLSA-N 1 1 357.414 2.171 20 5 FEBDMO CN(C(=O)C[N@H+]1CCC[C@H](c2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365641865 555629547 /nfs/dbraw/zinc/62/95/47/555629547.db2.gz VUHRFRWSZPZJNC-AWEZNQCLSA-N 1 1 357.414 2.171 20 5 FEBDMO Cc1cc(C2=CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)CC2)cc([N+](=O)[O-])c1N ZINC000365887806 555692907 /nfs/dbraw/zinc/69/29/07/555692907.db2.gz ZGIUEFIEKQSZQG-UHFFFAOYSA-N 1 1 372.385 2.379 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[NH+]([C@@H]4CCOC4)CC3)o2)c1 ZINC000367412822 556042200 /nfs/dbraw/zinc/04/22/00/556042200.db2.gz MOYUIBXTSUKVPJ-QGZVFWFLSA-N 1 1 372.425 2.199 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000367456288 556055015 /nfs/dbraw/zinc/05/50/15/556055015.db2.gz BGRKHYWTMLAMKI-INIZCTEOSA-N 1 1 364.402 2.190 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c([N+](=O)[O-])c1 ZINC000367456288 556055017 /nfs/dbraw/zinc/05/50/17/556055017.db2.gz BGRKHYWTMLAMKI-INIZCTEOSA-N 1 1 364.402 2.190 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000368592278 556356363 /nfs/dbraw/zinc/35/63/63/556356363.db2.gz QATIYLXMLZWSTO-KSSFIOAISA-N 1 1 358.442 2.361 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662415 556377655 /nfs/dbraw/zinc/37/76/55/556377655.db2.gz ICLKXGZRMLCLPR-DOPJRALCSA-N 1 1 374.441 2.397 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662415 556377659 /nfs/dbraw/zinc/37/76/59/556377659.db2.gz ICLKXGZRMLCLPR-DOPJRALCSA-N 1 1 374.441 2.397 20 5 FEBDMO C[C@@H]1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@H+]1Cc1ccccc1 ZINC000368821969 556422346 /nfs/dbraw/zinc/42/23/46/556422346.db2.gz DEBXIWFELJFSGR-HIFRSBDPSA-N 1 1 369.425 2.212 20 5 FEBDMO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368958972 556459496 /nfs/dbraw/zinc/45/94/96/556459496.db2.gz PUCMFVCPHSBJTH-XCRHUMRWSA-N 1 1 369.425 2.081 20 5 FEBDMO Cc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368976000 556465468 /nfs/dbraw/zinc/46/54/68/556465468.db2.gz SRXRPVHXDLTUBE-OAHLLOKOSA-N 1 1 371.441 2.253 20 5 FEBDMO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015913 556477286 /nfs/dbraw/zinc/47/72/86/556477286.db2.gz COZHFMFMCBGBJH-WBVHZDCISA-N 1 1 371.441 2.442 20 5 FEBDMO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015913 556477289 /nfs/dbraw/zinc/47/72/89/556477289.db2.gz COZHFMFMCBGBJH-WBVHZDCISA-N 1 1 371.441 2.442 20 5 FEBDMO C[C@@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019544 556477924 /nfs/dbraw/zinc/47/79/24/556477924.db2.gz QHLSCBSGLNKPFX-GOEBONIOSA-N 1 1 357.414 2.133 20 5 FEBDMO C[C@@H](C(=O)NCc1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019544 556477929 /nfs/dbraw/zinc/47/79/29/556477929.db2.gz QHLSCBSGLNKPFX-GOEBONIOSA-N 1 1 357.414 2.133 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H](O)COCc3cccs3)C2)c1 ZINC000369020332 556478480 /nfs/dbraw/zinc/47/84/80/556478480.db2.gz WQRMFNICTULHIP-ZFWWWQNUSA-N 1 1 366.443 2.067 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000369082006 556499837 /nfs/dbraw/zinc/49/98/37/556499837.db2.gz VERSFPKHWBTZSB-AWEZNQCLSA-N 1 1 362.430 2.420 20 5 FEBDMO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(-c2ccc(F)cc2)no1 ZINC000369903099 556725851 /nfs/dbraw/zinc/72/58/51/556725851.db2.gz UEWTZMNQTSXXKL-LLVKDONJSA-N 1 1 373.344 2.296 20 5 FEBDMO NC(=O)C1([NH+]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)CCCC1 ZINC000370231611 556817154 /nfs/dbraw/zinc/81/71/54/556817154.db2.gz DYUZRTLXXUVVIZ-UHFFFAOYSA-N 1 1 369.425 2.063 20 5 FEBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc([N+](=O)[O-])c1F ZINC000370466850 556880968 /nfs/dbraw/zinc/88/09/68/556880968.db2.gz BFNFAMACHJCEDB-UHFFFAOYSA-N 1 1 365.405 2.499 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCCC[C@H]2Cn2ccnn2)c([N+](=O)[O-])c1 ZINC000370698584 556943634 /nfs/dbraw/zinc/94/36/34/556943634.db2.gz OHPOFFBCRSVOMI-AWEZNQCLSA-N 1 1 361.402 2.128 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000371645120 557249241 /nfs/dbraw/zinc/24/92/41/557249241.db2.gz FHYCLYOFAAWQMZ-OAHLLOKOSA-N 1 1 353.382 2.053 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000518023959 562102829 /nfs/dbraw/zinc/10/28/29/562102829.db2.gz YAMANWOCSMQQJZ-AWEZNQCLSA-N 1 1 362.430 2.231 20 5 FEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2ncccn2)CC1 ZINC000372150443 557393549 /nfs/dbraw/zinc/39/35/49/557393549.db2.gz OMSIPFGNWNRBQA-KRWDZBQOSA-N 1 1 357.414 2.019 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H](O)c3ccc(F)cc3F)C2)c1 ZINC000372280739 557428649 /nfs/dbraw/zinc/42/86/49/557428649.db2.gz FWBWFTLMFJJAAZ-LRDDRELGSA-N 1 1 352.341 2.440 20 5 FEBDMO C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372289057 557430657 /nfs/dbraw/zinc/43/06/57/557430657.db2.gz NUINORDQLCUDAD-ZBFHGGJFSA-N 1 1 369.425 2.406 20 5 FEBDMO C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372289057 557430659 /nfs/dbraw/zinc/43/06/59/557430659.db2.gz NUINORDQLCUDAD-ZBFHGGJFSA-N 1 1 369.425 2.406 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000519489792 562132595 /nfs/dbraw/zinc/13/25/95/562132595.db2.gz RVHLFFCNZXRYFW-UHFFFAOYSA-N 1 1 355.460 2.446 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000373114029 557631232 /nfs/dbraw/zinc/63/12/32/557631232.db2.gz XUANOZUHOWGIKI-LBPRGKRZSA-N 1 1 361.398 2.412 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H](O)COCc3ccccc3)C2)c1 ZINC000373583194 557722650 /nfs/dbraw/zinc/72/26/50/557722650.db2.gz IVYDSNRMVXMBDA-FUHWJXTLSA-N 1 1 360.414 2.006 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H](O)COCc3ccccc3)C2)c1 ZINC000373583195 557722884 /nfs/dbraw/zinc/72/28/84/557722884.db2.gz IVYDSNRMVXMBDA-SJLPKXTDSA-N 1 1 360.414 2.006 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1ccc(F)cc1 ZINC000373725202 557745731 /nfs/dbraw/zinc/74/57/31/557745731.db2.gz FRBOCROKXWNUAG-DLBZAZTESA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@H]1c1ccc(F)cc1 ZINC000373725202 557745733 /nfs/dbraw/zinc/74/57/33/557745733.db2.gz FRBOCROKXWNUAG-DLBZAZTESA-N 1 1 358.373 2.491 20 5 FEBDMO COc1cc(OCC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000520562837 562158943 /nfs/dbraw/zinc/15/89/43/562158943.db2.gz QEWUYSTZZQESAU-ZIAGYGMSSA-N 1 1 365.430 2.361 20 5 FEBDMO C[C@]1(C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)NC(=O)NC1=O ZINC000374214616 557844410 /nfs/dbraw/zinc/84/44/10/557844410.db2.gz YNPVKEFNSOIJSB-MRXNPFEDSA-N 1 1 366.805 2.058 20 5 FEBDMO C[N@H+]1CCCC12CCN(CC(=O)N1CCc3ccc([N+](=O)[O-])cc31)CC2 ZINC000374596453 557904564 /nfs/dbraw/zinc/90/45/64/557904564.db2.gz QNOWDPCSPPRUCV-UHFFFAOYSA-N 1 1 358.442 2.044 20 5 FEBDMO C[C@@H]([C@@H]1CN(Cc2ccccc2)CCO1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883173 557945916 /nfs/dbraw/zinc/94/59/16/557945916.db2.gz RLPBFJVDSGYPBP-LPHOPBHVSA-N 1 1 373.457 2.013 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375112418 557979716 /nfs/dbraw/zinc/97/97/16/557979716.db2.gz KTLXLEQURBQECW-UHFFFAOYSA-N 1 1 364.427 2.169 20 5 FEBDMO Cn1nccc1[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000375806901 558082482 /nfs/dbraw/zinc/08/24/82/558082482.db2.gz AOEFAOWHKHERKV-HNNXBMFYSA-N 1 1 369.425 2.097 20 5 FEBDMO Cn1nccc1[C@H]1CCC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000375806901 558082483 /nfs/dbraw/zinc/08/24/83/558082483.db2.gz AOEFAOWHKHERKV-HNNXBMFYSA-N 1 1 369.425 2.097 20 5 FEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000375928013 558101083 /nfs/dbraw/zinc/10/10/83/558101083.db2.gz PHGDTAGDJSBIDR-QGZVFWFLSA-N 1 1 357.414 2.019 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000521650661 562181392 /nfs/dbraw/zinc/18/13/92/562181392.db2.gz WEKUQMOHVLIXRY-GFCCVEGCSA-N 1 1 361.398 2.113 20 5 FEBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000377119642 558270084 /nfs/dbraw/zinc/27/00/84/558270084.db2.gz KPNBSEOQPWFNOQ-XOKHGSTOSA-N 1 1 363.414 2.192 20 5 FEBDMO Cn1cc([C@H]2[C@@H](CNc3ccc([N+](=O)[O-])c4nonc43)CCC[N@H+]2C)cn1 ZINC000377693831 558399387 /nfs/dbraw/zinc/39/93/87/558399387.db2.gz CKWOITGVHFYSAO-PIGZYNQJSA-N 1 1 371.401 2.360 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](O)c3ccccc3C2)c1 ZINC000378495751 558569817 /nfs/dbraw/zinc/56/98/17/558569817.db2.gz MLYHAZUWIMOACI-VQIMIIECSA-N 1 1 358.394 2.274 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000408342950 558668976 /nfs/dbraw/zinc/66/89/76/558668976.db2.gz MFXMEHRSLMZZBV-LSDHHAIUSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000408375865 558672107 /nfs/dbraw/zinc/67/21/07/558672107.db2.gz UNEKYKMVGXLKKE-UONOGXRCSA-N 1 1 353.444 2.008 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000524450624 562228879 /nfs/dbraw/zinc/22/88/79/562228879.db2.gz UVFIJQLLZCSPOE-AWEZNQCLSA-N 1 1 357.414 2.241 20 5 FEBDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411194854 558851884 /nfs/dbraw/zinc/85/18/84/558851884.db2.gz HWCAPIRJAKJTAO-MRXNPFEDSA-N 1 1 362.430 2.256 20 5 FEBDMO CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000411258605 558862349 /nfs/dbraw/zinc/86/23/49/558862349.db2.gz OMRPYTONISVGGZ-KSZLIROESA-N 1 1 361.442 2.171 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F)Nc1ccc([N+](=O)[O-])cc1 ZINC000411279094 558867103 /nfs/dbraw/zinc/86/71/03/558867103.db2.gz PFLVKCZAYSOJFJ-TZMCWYRMSA-N 1 1 361.320 2.311 20 5 FEBDMO O=[N+]([O-])c1c(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc2sccn21 ZINC000525461091 562248675 /nfs/dbraw/zinc/24/86/75/562248675.db2.gz CYQUNJYQYVAVNS-KRWDZBQOSA-N 1 1 373.438 2.353 20 5 FEBDMO COc1cccc(NC(=O)CC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000411473981 558900946 /nfs/dbraw/zinc/90/09/46/558900946.db2.gz AXMYSOQBGPDZLS-UHFFFAOYSA-N 1 1 356.382 2.385 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000411652557 558936349 /nfs/dbraw/zinc/93/63/49/558936349.db2.gz UUTUXXCNLSYXER-KBPBESRZSA-N 1 1 365.430 2.415 20 5 FEBDMO O=C1[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1c1ccc(F)cc1 ZINC000411655943 558937449 /nfs/dbraw/zinc/93/74/49/558937449.db2.gz OBWFTOMKKURLOP-INIZCTEOSA-N 1 1 373.388 2.373 20 5 FEBDMO CC(C)([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCC2 ZINC000411798591 558965184 /nfs/dbraw/zinc/96/51/84/558965184.db2.gz UUJWMYCDORPCFL-UHFFFAOYSA-N 1 1 372.429 2.376 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCO[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000411839979 558974008 /nfs/dbraw/zinc/97/40/08/558974008.db2.gz DVJLJQFTZCGFED-KRWDZBQOSA-N 1 1 363.414 2.433 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000411935545 558991209 /nfs/dbraw/zinc/99/12/09/558991209.db2.gz DPQWXRRWDGPUGE-AWEZNQCLSA-N 1 1 358.398 2.202 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[N@H+](C(C)C)CC2)c1F ZINC000411974636 558997960 /nfs/dbraw/zinc/99/79/60/558997960.db2.gz VZGBDIILFFJWBC-UHFFFAOYSA-N 1 1 353.394 2.228 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)c1 ZINC000412003515 559001367 /nfs/dbraw/zinc/00/13/67/559001367.db2.gz XGAXMCKDUZMGPV-MSOLQXFVSA-N 1 1 372.425 2.006 20 5 FEBDMO COC(=O)[C@H]1CSCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412065248 559008704 /nfs/dbraw/zinc/00/87/04/559008704.db2.gz DUBRSEVYFYUIFF-SNVBAGLBSA-N 1 1 351.384 2.074 20 5 FEBDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000412065248 559008706 /nfs/dbraw/zinc/00/87/06/559008706.db2.gz DUBRSEVYFYUIFF-SNVBAGLBSA-N 1 1 351.384 2.074 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1F ZINC000412122678 559015833 /nfs/dbraw/zinc/01/58/33/559015833.db2.gz GRMNLQBLRWLOEK-YPMHNXCESA-N 1 1 353.394 2.084 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412147657 559017101 /nfs/dbraw/zinc/01/71/01/559017101.db2.gz HCFXFDZTLJOLCS-LBPRGKRZSA-N 1 1 353.394 2.085 20 5 FEBDMO C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000412263879 559023455 /nfs/dbraw/zinc/02/34/55/559023455.db2.gz ADQATZSVZOJHMZ-XOKHGSTOSA-N 1 1 361.442 2.002 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000418996204 559424804 /nfs/dbraw/zinc/42/48/04/559424804.db2.gz JTRMIUSIIOORTC-QWHCGFSZSA-N 1 1 360.414 2.043 20 5 FEBDMO C[N@H+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000420620425 559494125 /nfs/dbraw/zinc/49/41/25/559494125.db2.gz DICAYUYPMIPOMC-OAHLLOKOSA-N 1 1 354.410 2.057 20 5 FEBDMO Cn1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425356114 559697964 /nfs/dbraw/zinc/69/79/64/559697964.db2.gz VXLAXTFLAHYCKP-QGZVFWFLSA-N 1 1 367.413 2.424 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425466916 559703757 /nfs/dbraw/zinc/70/37/57/559703757.db2.gz CFMALGVAUZBHDG-RYUDHWBXSA-N 1 1 372.263 2.244 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425504914 559706390 /nfs/dbraw/zinc/70/63/90/559706390.db2.gz XQAHCRWCBLKZHE-OAHLLOKOSA-N 1 1 358.402 2.160 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426264750 559731986 /nfs/dbraw/zinc/73/19/86/559731986.db2.gz RKLRCCRSQAYIEH-KCPJHIHWSA-N 1 1 351.403 2.166 20 5 FEBDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000428999080 559787899 /nfs/dbraw/zinc/78/78/99/559787899.db2.gz RZQLDYXJVNAMAG-RKVPGOIHSA-N 1 1 360.458 2.220 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429559226 559801399 /nfs/dbraw/zinc/80/13/99/559801399.db2.gz WLFNGPVTPAOXGA-UHFFFAOYSA-N 1 1 362.430 2.080 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429559226 559801400 /nfs/dbraw/zinc/80/14/00/559801400.db2.gz WLFNGPVTPAOXGA-UHFFFAOYSA-N 1 1 362.430 2.080 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000432462392 559859273 /nfs/dbraw/zinc/85/92/73/559859273.db2.gz SKDPPKOHBKUPRN-GOEBONIOSA-N 1 1 370.409 2.265 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433066648 559870990 /nfs/dbraw/zinc/87/09/90/559870990.db2.gz KKYFCJPDEQONCW-KDOFPFPSSA-N 1 1 357.410 2.457 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433559705 559884129 /nfs/dbraw/zinc/88/41/29/559884129.db2.gz UJVVWANEGORFCK-MRXNPFEDSA-N 1 1 362.430 2.420 20 5 FEBDMO CCOC(=O)c1cc(NCC(C)(C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000433726318 559886934 /nfs/dbraw/zinc/88/69/34/559886934.db2.gz AFRKDSPYOSTXKL-UHFFFAOYSA-N 1 1 351.403 2.294 20 5 FEBDMO O=C(NCCNc1ccccc1[N+](=O)[O-])NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433954934 559891302 /nfs/dbraw/zinc/89/13/02/559891302.db2.gz XYBNREDVWOZOCF-HNNXBMFYSA-N 1 1 361.446 2.323 20 5 FEBDMO NC(=O)c1cccc(N2CCC[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000439104589 559988650 /nfs/dbraw/zinc/98/86/50/559988650.db2.gz AYFOZCVHNWWHMY-UHFFFAOYSA-N 1 1 354.410 2.406 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000440076014 560004403 /nfs/dbraw/zinc/00/44/03/560004403.db2.gz IXJYMCKQOQNJJS-STQMWFEESA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[N@H+]1C1CC1 ZINC000440915981 560019686 /nfs/dbraw/zinc/01/96/86/560019686.db2.gz WTRMDZLHIUWCQZ-TZMCWYRMSA-N 1 1 369.425 2.350 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441203438 560026208 /nfs/dbraw/zinc/02/62/08/560026208.db2.gz GQIGYGFHKAAZAI-KBPBESRZSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441203438 560026209 /nfs/dbraw/zinc/02/62/09/560026209.db2.gz GQIGYGFHKAAZAI-KBPBESRZSA-N 1 1 363.414 2.290 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000443376845 560082410 /nfs/dbraw/zinc/08/24/10/560082410.db2.gz WXSWIIPMGYNPPR-JSGCOSHPSA-N 1 1 362.430 2.173 20 5 FEBDMO Cn1cc([C@@H]2C[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000444750026 560119673 /nfs/dbraw/zinc/11/96/73/560119673.db2.gz XFMJOJITVGXIRM-STQMWFEESA-N 1 1 350.806 2.190 20 5 FEBDMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCc1nnnn1-c1ccccc1)CC2 ZINC000446735147 560150773 /nfs/dbraw/zinc/15/07/73/560150773.db2.gz NJCIZHGZGNUHLU-UHFFFAOYSA-N 1 1 350.382 2.171 20 5 FEBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000447245796 560158713 /nfs/dbraw/zinc/15/87/13/560158713.db2.gz NXJLHUSPZFBOQK-CBAPKCEASA-N 1 1 368.242 2.320 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447925552 560173165 /nfs/dbraw/zinc/17/31/65/560173165.db2.gz JBKIITKGWLRRBH-HNNXBMFYSA-N 1 1 355.460 2.302 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000448036156 560176324 /nfs/dbraw/zinc/17/63/24/560176324.db2.gz WBIVUBYQAYWDTM-INIZCTEOSA-N 1 1 363.462 2.426 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c2c(c1)COCO2 ZINC000449674825 560236424 /nfs/dbraw/zinc/23/64/24/560236424.db2.gz WYWSJRUPAWYFPO-LKFCYVNXSA-N 1 1 362.304 2.206 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)c2c(c1)COCO2 ZINC000449674825 560236425 /nfs/dbraw/zinc/23/64/25/560236425.db2.gz WYWSJRUPAWYFPO-LKFCYVNXSA-N 1 1 362.304 2.206 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449773181 560239763 /nfs/dbraw/zinc/23/97/63/560239763.db2.gz JOBVYHVMUQABNZ-PWSUYJOCSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449773181 560239764 /nfs/dbraw/zinc/23/97/64/560239764.db2.gz JOBVYHVMUQABNZ-PWSUYJOCSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000450316006 560258245 /nfs/dbraw/zinc/25/82/45/560258245.db2.gz YCTQAGSDVTXIQV-STQMWFEESA-N 1 1 360.414 2.095 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000450927825 560278812 /nfs/dbraw/zinc/27/88/12/560278812.db2.gz DSBVRQSNMKXFKA-HNNXBMFYSA-N 1 1 357.414 2.383 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000451032345 560283825 /nfs/dbraw/zinc/28/38/25/560283825.db2.gz PHKJRCWLCDQZOR-GOSISDBHSA-N 1 1 359.382 2.045 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000451306173 560299165 /nfs/dbraw/zinc/29/91/65/560299165.db2.gz RNUPDQJICSCBKN-UXIGCNINSA-N 1 1 354.378 2.104 20 5 FEBDMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543102 560313446 /nfs/dbraw/zinc/31/34/46/560313446.db2.gz ATRCUXDZRRRBOO-OCCSQVGLSA-N 1 1 371.445 2.369 20 5 FEBDMO C[C@H](c1nc(N)nc(N(C)C)n1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543102 560313447 /nfs/dbraw/zinc/31/34/47/560313447.db2.gz ATRCUXDZRRRBOO-OCCSQVGLSA-N 1 1 371.445 2.369 20 5 FEBDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551271 560314154 /nfs/dbraw/zinc/31/41/54/560314154.db2.gz UDCXSJSRXQDVAF-DZGCQCFKSA-N 1 1 362.430 2.397 20 5 FEBDMO CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551271 560314155 /nfs/dbraw/zinc/31/41/55/560314155.db2.gz UDCXSJSRXQDVAF-DZGCQCFKSA-N 1 1 362.430 2.397 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563100 560314995 /nfs/dbraw/zinc/31/49/95/560314995.db2.gz JORYWBQPOJIWHQ-MKBNYLNASA-N 1 1 351.403 2.287 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](OC)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563100 560314996 /nfs/dbraw/zinc/31/49/96/560314996.db2.gz JORYWBQPOJIWHQ-MKBNYLNASA-N 1 1 351.403 2.287 20 5 FEBDMO C[C@H]1CN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC[N@H+](C2CC2)C1 ZINC000452172065 560354519 /nfs/dbraw/zinc/35/45/19/560354519.db2.gz UJOHZSOIVYZNEQ-CQSZACIVSA-N 1 1 356.426 2.492 20 5 FEBDMO CC(C)(C)c1ccc(C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000452796770 560374318 /nfs/dbraw/zinc/37/43/18/560374318.db2.gz LKEBVZPGSHRRIR-HNNXBMFYSA-N 1 1 363.458 2.469 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000453046133 560382430 /nfs/dbraw/zinc/38/24/30/560382430.db2.gz XLVCYLHBRQBHDS-IAGOWNOFSA-N 1 1 350.440 2.489 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000453046133 560382431 /nfs/dbraw/zinc/38/24/31/560382431.db2.gz XLVCYLHBRQBHDS-IAGOWNOFSA-N 1 1 350.440 2.489 20 5 FEBDMO CNc1nc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000454640734 560452533 /nfs/dbraw/zinc/45/25/33/560452533.db2.gz BPMSGZZPUIKDGN-UHFFFAOYSA-N 1 1 369.425 2.210 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456351241 560516758 /nfs/dbraw/zinc/51/67/58/560516758.db2.gz MEUBWHLPAZIILO-CQSZACIVSA-N 1 1 357.414 2.337 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000456351241 560516759 /nfs/dbraw/zinc/51/67/59/560516759.db2.gz MEUBWHLPAZIILO-CQSZACIVSA-N 1 1 357.414 2.337 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[N@H+](CC)C[C@@H]2CC)cc([N+](=O)[O-])c1 ZINC000456356218 560517144 /nfs/dbraw/zinc/51/71/44/560517144.db2.gz RDWNCWJYJGKXFF-HNNXBMFYSA-N 1 1 363.414 2.328 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](CC)C[C@@H]2CC)cc([N+](=O)[O-])c1 ZINC000456356218 560517145 /nfs/dbraw/zinc/51/71/45/560517145.db2.gz RDWNCWJYJGKXFF-HNNXBMFYSA-N 1 1 363.414 2.328 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000457097220 560548286 /nfs/dbraw/zinc/54/82/86/560548286.db2.gz RTLONUWIGHHWCJ-CQSZACIVSA-N 1 1 357.414 2.335 20 5 FEBDMO C[N@@H+](CCCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)C1CC1 ZINC000457165765 560554025 /nfs/dbraw/zinc/55/40/25/560554025.db2.gz KUHOAVJPPRFXNV-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO Cc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000458511518 560628826 /nfs/dbraw/zinc/62/88/26/560628826.db2.gz PQGZBHNMSGBRAR-ZBFHGGJFSA-N 1 1 364.446 2.110 20 5 FEBDMO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CCCO)c1cccc([N+](=O)[O-])c1 ZINC000458517298 560629190 /nfs/dbraw/zinc/62/91/90/560629190.db2.gz SHKGYZUZNUCLIV-IRXDYDNUSA-N 1 1 364.446 2.192 20 5 FEBDMO CON1CCC([N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000459585404 560696093 /nfs/dbraw/zinc/69/60/93/560696093.db2.gz WPCSVZAXDVRIHB-UHFFFAOYSA-N 1 1 350.419 2.189 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000462005175 560791915 /nfs/dbraw/zinc/79/19/15/560791915.db2.gz FDXFHUPWIYQOKP-CQSZACIVSA-N 1 1 364.446 2.488 20 5 FEBDMO CO[C@]1(C)C[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000464819147 560852465 /nfs/dbraw/zinc/85/24/65/560852465.db2.gz AWPXWOJBKRGXRA-UWWQBHOKSA-N 1 1 352.431 2.470 20 5 FEBDMO Cc1sc(S(=O)(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1[N+](=O)[O-] ZINC000467078251 560902982 /nfs/dbraw/zinc/90/29/82/560902982.db2.gz GKGISEVWGKELLL-ZDUSSCGKSA-N 1 1 373.500 2.317 20 5 FEBDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000468113387 560922576 /nfs/dbraw/zinc/92/25/76/560922576.db2.gz MGPNFDOAOBBUCA-ZWNOBZJWSA-N 1 1 352.341 2.050 20 5 FEBDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000468113387 560922577 /nfs/dbraw/zinc/92/25/77/560922577.db2.gz MGPNFDOAOBBUCA-ZWNOBZJWSA-N 1 1 352.341 2.050 20 5 FEBDMO CC[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471690229 561010439 /nfs/dbraw/zinc/01/04/39/561010439.db2.gz WKIBSEWVQIKQBW-HOTGVXAUSA-N 1 1 359.430 2.420 20 5 FEBDMO CC[C@H](Nc1c([N+](=O)[O-])ncn1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471690229 561010440 /nfs/dbraw/zinc/01/04/40/561010440.db2.gz WKIBSEWVQIKQBW-HOTGVXAUSA-N 1 1 359.430 2.420 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000472637210 561031618 /nfs/dbraw/zinc/03/16/18/561031618.db2.gz LPAAKYNEOBLJIF-CQSZACIVSA-N 1 1 366.393 2.005 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000474819088 561083562 /nfs/dbraw/zinc/08/35/62/561083562.db2.gz NTLDGABYLHBKBU-UHFFFAOYSA-N 1 1 373.457 2.222 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000475563018 561100033 /nfs/dbraw/zinc/10/00/33/561100033.db2.gz BCXXUNJXZVVCBN-AWEZNQCLSA-N 1 1 374.397 2.249 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)[N@H+]1CCc2ccccc2C1 ZINC000476377827 561117912 /nfs/dbraw/zinc/11/79/12/561117912.db2.gz XDFIPCKELYLGEO-KRWDZBQOSA-N 1 1 371.441 2.141 20 5 FEBDMO CN(C(=O)c1cc([N+](=O)[O-])nn1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000477018286 561134226 /nfs/dbraw/zinc/13/42/26/561134226.db2.gz QMSAUEKJCHAJKE-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO C[C@@H](NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813540 562424881 /nfs/dbraw/zinc/42/48/81/562424881.db2.gz ZKGDHDXPFWUCOK-QRWLVFNGSA-N 1 1 369.421 2.409 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000531267436 562440110 /nfs/dbraw/zinc/44/01/10/562440110.db2.gz FHYSSWYGPVBIMT-LLVKDONJSA-N 1 1 370.247 2.358 20 5 FEBDMO COc1ccc2c(c1)CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC2 ZINC000534841530 562543711 /nfs/dbraw/zinc/54/37/11/562543711.db2.gz WAEMRRJGNSRCAK-GOSISDBHSA-N 1 1 372.421 2.444 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000535263781 562554467 /nfs/dbraw/zinc/55/44/67/562554467.db2.gz BEWJLRVJBQCZNA-GOSISDBHSA-N 1 1 370.409 2.460 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000535263781 562554468 /nfs/dbraw/zinc/55/44/68/562554468.db2.gz BEWJLRVJBQCZNA-GOSISDBHSA-N 1 1 370.409 2.460 20 5 FEBDMO CS[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1N(C)C ZINC000536470867 562576379 /nfs/dbraw/zinc/57/63/79/562576379.db2.gz DQIXEXFTKGFGBE-HZPDHXFCSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1[NH+](C)C ZINC000536470867 562576380 /nfs/dbraw/zinc/57/63/80/562576380.db2.gz DQIXEXFTKGFGBE-HZPDHXFCSA-N 1 1 366.487 2.209 20 5 FEBDMO COc1ccc(CC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000569904052 568435611 /nfs/dbraw/zinc/43/56/11/568435611.db2.gz ZPOBGYWKAWBXTR-MRXNPFEDSA-N 1 1 355.394 2.319 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000557585876 674455593 /nfs/dbraw/zinc/45/55/93/674455593.db2.gz TUAKYWBENWOTLT-GFCCVEGCSA-N 1 1 351.403 2.070 20 5 FEBDMO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810072514 674529631 /nfs/dbraw/zinc/52/96/31/674529631.db2.gz HRSBPFUUMYJWKT-OAHLLOKOSA-N 1 1 351.403 2.179 20 5 FEBDMO C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810072514 674529633 /nfs/dbraw/zinc/52/96/33/674529633.db2.gz HRSBPFUUMYJWKT-OAHLLOKOSA-N 1 1 351.403 2.179 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000810376106 674542381 /nfs/dbraw/zinc/54/23/81/674542381.db2.gz KIMLGDAFEYMNJI-QGZVFWFLSA-N 1 1 353.394 2.302 20 5 FEBDMO C[C@@H](Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824670184 609315330 /nfs/dbraw/zinc/31/53/30/609315330.db2.gz LQCQWRTZPWNXOX-VXGBXAGGSA-N 1 1 372.433 2.235 20 5 FEBDMO COC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000063813005 670411160 /nfs/dbraw/zinc/41/11/60/670411160.db2.gz XSQAKQVOMKAHFK-UHFFFAOYSA-N 1 1 361.320 2.299 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC000110994381 670853204 /nfs/dbraw/zinc/85/32/04/670853204.db2.gz RBMFIKWCDQWIPO-LBPRGKRZSA-N 1 1 350.375 2.416 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000572497105 671009715 /nfs/dbraw/zinc/00/97/15/671009715.db2.gz BSIXJZAZVIWHST-ZDUSSCGKSA-N 1 1 352.410 2.467 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000572779424 671043746 /nfs/dbraw/zinc/04/37/46/671043746.db2.gz KJZHKFFMCHFYNP-UHFFFAOYSA-N 1 1 367.471 2.389 20 5 FEBDMO COc1ccc(CSCC(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000572779424 671043750 /nfs/dbraw/zinc/04/37/50/671043750.db2.gz KJZHKFFMCHFYNP-UHFFFAOYSA-N 1 1 367.471 2.389 20 5 FEBDMO CC(C)Oc1nc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000575430282 671313289 /nfs/dbraw/zinc/31/32/89/671313289.db2.gz WOIIDBTVAYOMLB-OKILXGFUSA-N 1 1 352.435 2.322 20 5 FEBDMO CC(C)Oc1nc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000575430282 671313292 /nfs/dbraw/zinc/31/32/92/671313292.db2.gz WOIIDBTVAYOMLB-OKILXGFUSA-N 1 1 352.435 2.322 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000575430000 671313299 /nfs/dbraw/zinc/31/32/99/671313299.db2.gz KTITWJLEJHTTGU-ZDUSSCGKSA-N 1 1 352.410 2.101 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000576819509 671397079 /nfs/dbraw/zinc/39/70/79/671397079.db2.gz JTASHCMNLBZIDB-GXTWGEPZSA-N 1 1 355.460 2.260 20 5 FEBDMO Cc1c(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153962321 672207996 /nfs/dbraw/zinc/20/79/96/672207996.db2.gz RGFSZWXLNFSWAD-HNNXBMFYSA-N 1 1 350.375 2.224 20 5 FEBDMO Cc1c(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000153962321 672207998 /nfs/dbraw/zinc/20/79/98/672207998.db2.gz RGFSZWXLNFSWAD-HNNXBMFYSA-N 1 1 350.375 2.224 20 5 FEBDMO O=C([C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000174814514 672363651 /nfs/dbraw/zinc/36/36/51/672363651.db2.gz WYLJOSCLNUXAEU-ZDUSSCGKSA-N 1 1 367.833 2.319 20 5 FEBDMO O=C([C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000174814514 672363655 /nfs/dbraw/zinc/36/36/55/672363655.db2.gz WYLJOSCLNUXAEU-ZDUSSCGKSA-N 1 1 367.833 2.319 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000184126029 672490743 /nfs/dbraw/zinc/49/07/43/672490743.db2.gz VWIXTODONKMZSQ-UHFFFAOYSA-N 1 1 350.415 2.493 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565849 672590242 /nfs/dbraw/zinc/59/02/42/672590242.db2.gz RLHLYXCWGVHNLM-UKRRQHHQSA-N 1 1 353.806 2.183 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)OCCO2 ZINC000590662207 672599585 /nfs/dbraw/zinc/59/95/85/672599585.db2.gz RLKDYEWEEVBEIJ-YMTOWFKASA-N 1 1 362.304 2.111 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1)OCCO2 ZINC000590662207 672599589 /nfs/dbraw/zinc/59/95/89/672599589.db2.gz RLKDYEWEEVBEIJ-YMTOWFKASA-N 1 1 362.304 2.111 20 5 FEBDMO COc1cc(C[N@@H+](C)C[C@@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611549747 676043864 /nfs/dbraw/zinc/04/38/64/676043864.db2.gz RTMCDFLJDVZQNX-CYBMUJFWSA-N 1 1 360.357 2.450 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591266124 672663113 /nfs/dbraw/zinc/66/31/13/672663113.db2.gz PGKAUKNTCULPQN-KRWDZBQOSA-N 1 1 350.371 2.141 20 5 FEBDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591266124 672663115 /nfs/dbraw/zinc/66/31/15/672663115.db2.gz PGKAUKNTCULPQN-KRWDZBQOSA-N 1 1 350.371 2.141 20 5 FEBDMO CCCN(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C)C1 ZINC000591955640 672725887 /nfs/dbraw/zinc/72/58/87/672725887.db2.gz LSPNVEPOJPSNCQ-HNNXBMFYSA-N 1 1 350.419 2.099 20 5 FEBDMO C[C@H]1C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592189368 672769364 /nfs/dbraw/zinc/76/93/64/672769364.db2.gz SWYHWLRHSINTRA-GOEBONIOSA-N 1 1 350.415 2.368 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000612121390 676069586 /nfs/dbraw/zinc/06/95/86/676069586.db2.gz RPETZZPCIVEFIO-JKSUJKDBSA-N 1 1 350.415 2.226 20 5 FEBDMO O=C1[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C1CCOCC1 ZINC000612402190 676080540 /nfs/dbraw/zinc/08/05/40/676080540.db2.gz MGBWTDVEFGQGBV-HNNXBMFYSA-N 1 1 353.806 2.118 20 5 FEBDMO CC[N@@H+](CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000593787185 672991235 /nfs/dbraw/zinc/99/12/35/672991235.db2.gz OMGRFYBOOIXIDP-UHFFFAOYSA-N 1 1 350.419 2.470 20 5 FEBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594756166 673131046 /nfs/dbraw/zinc/13/10/46/673131046.db2.gz YNSQJEFPBAUFFB-UHFFFAOYSA-N 1 1 366.443 2.153 20 5 FEBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594758011 673131691 /nfs/dbraw/zinc/13/16/91/673131691.db2.gz BTJYNVZUKCGCCP-UHFFFAOYSA-N 1 1 366.443 2.153 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594789973 673143399 /nfs/dbraw/zinc/14/33/99/673143399.db2.gz OPJHUOZHWIKYCL-ZDUSSCGKSA-N 1 1 355.460 2.308 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594789973 673143404 /nfs/dbraw/zinc/14/34/04/673143404.db2.gz OPJHUOZHWIKYCL-ZDUSSCGKSA-N 1 1 355.460 2.308 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594799288 673146563 /nfs/dbraw/zinc/14/65/63/673146563.db2.gz LRRCFBRBGNNPQP-CYBMUJFWSA-N 1 1 355.460 2.308 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595410458 673245687 /nfs/dbraw/zinc/24/56/87/673245687.db2.gz MHGPVFDLXBUIRT-OAHLLOKOSA-N 1 1 367.471 2.304 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000595411490 673245930 /nfs/dbraw/zinc/24/59/30/673245930.db2.gz REBXONGGSXISIZ-CYBMUJFWSA-N 1 1 373.500 2.365 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000462584959 673266121 /nfs/dbraw/zinc/26/61/21/673266121.db2.gz PXAJUISMRAZXAM-HNNXBMFYSA-N 1 1 367.471 2.446 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595873646 673333184 /nfs/dbraw/zinc/33/31/84/673333184.db2.gz OXUVYXJVWLDZCZ-UHFFFAOYSA-N 1 1 352.435 2.252 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](NC(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000732719846 673379515 /nfs/dbraw/zinc/37/95/15/673379515.db2.gz BUSIONRNGZYCAX-CQSZACIVSA-N 1 1 363.487 2.050 20 5 FEBDMO C[NH+]1CCC(N2CC[C@@H](NC(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000732719846 673379517 /nfs/dbraw/zinc/37/95/17/673379517.db2.gz BUSIONRNGZYCAX-CQSZACIVSA-N 1 1 363.487 2.050 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596489292 673389360 /nfs/dbraw/zinc/38/93/60/673389360.db2.gz TTWGMDFRUIFDJN-CYBMUJFWSA-N 1 1 368.821 2.311 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2N)CC1 ZINC000597095104 673447094 /nfs/dbraw/zinc/44/70/94/673447094.db2.gz NXPRHALBBLZWGK-UHFFFAOYSA-N 1 1 371.825 2.016 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597577935 673489309 /nfs/dbraw/zinc/48/93/09/673489309.db2.gz IBFNUESISXPFBH-KBPBESRZSA-N 1 1 351.378 2.008 20 5 FEBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000597678575 673498364 /nfs/dbraw/zinc/49/83/64/673498364.db2.gz LQTNKQRZRVGJQR-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO COc1cc([C@H](C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc(OC)c1OC ZINC000540324801 673533655 /nfs/dbraw/zinc/53/36/55/673533655.db2.gz SHMILIIUIDCOHA-JTQLQIEISA-N 1 1 350.375 2.205 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1[N+](=O)[O-] ZINC000598600595 673588365 /nfs/dbraw/zinc/58/83/65/673588365.db2.gz VDDVPRIPIZFCIP-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000598608522 673589877 /nfs/dbraw/zinc/58/98/77/673589877.db2.gz STVSFIZLMLKGGX-CQSZACIVSA-N 1 1 355.460 2.363 20 5 FEBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599127966 673635153 /nfs/dbraw/zinc/63/51/53/673635153.db2.gz SHDWXXNQZQHGOS-CQSZACIVSA-N 1 1 368.459 2.061 20 5 FEBDMO O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175513 673638627 /nfs/dbraw/zinc/63/86/27/673638627.db2.gz DOTIYFGMBVWRDI-MRVPVSSYSA-N 1 1 370.278 2.122 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000599389784 673667856 /nfs/dbraw/zinc/66/78/56/673667856.db2.gz AJVONFDCHGDUFX-OAHLLOKOSA-N 1 1 353.444 2.280 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599391615 673668465 /nfs/dbraw/zinc/66/84/65/673668465.db2.gz OGKOZOBALHEJLN-CQSZACIVSA-N 1 1 353.444 2.280 20 5 FEBDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cnn(C)c1 ZINC000742390214 673726085 /nfs/dbraw/zinc/72/60/85/673726085.db2.gz CUFIWLWHPVEABD-MEBBXXQBSA-N 1 1 363.805 2.265 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])[C@@H]2C1 ZINC000599966458 673731073 /nfs/dbraw/zinc/73/10/73/673731073.db2.gz JDUAJIIETCQYDS-JOYOIKCWSA-N 1 1 354.204 2.133 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545467813 673771584 /nfs/dbraw/zinc/77/15/84/673771584.db2.gz CULWIFPRLTUGKK-MJBXVCDLSA-N 1 1 355.460 2.240 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000546880527 673825025 /nfs/dbraw/zinc/82/50/25/673825025.db2.gz ZNMPCIUXPNZAGD-HNNXBMFYSA-N 1 1 355.460 2.384 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)Cc1cc(Br)cn1C ZINC000602788722 673911215 /nfs/dbraw/zinc/91/12/15/673911215.db2.gz PJUJGUAOUDTTCV-UHFFFAOYSA-N 1 1 356.224 2.333 20 5 FEBDMO CC(=O)NCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000549078353 674015142 /nfs/dbraw/zinc/01/51/42/674015142.db2.gz SQLYBQTZRIPMSL-UHFFFAOYSA-N 1 1 367.471 2.307 20 5 FEBDMO CNc1nccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1[N+](=O)[O-] ZINC000568662995 675390227 /nfs/dbraw/zinc/39/02/27/675390227.db2.gz PMEICRNAYYPXQP-UHFFFAOYSA-N 1 1 363.805 2.999 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823184465 675534987 /nfs/dbraw/zinc/53/49/87/675534987.db2.gz FTNLIQUVCPKSNK-HNNXBMFYSA-N 1 1 354.838 2.459 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000823253732 675539758 /nfs/dbraw/zinc/53/97/58/675539758.db2.gz NRDKMRCCGZIRAL-GFCCVEGCSA-N 1 1 368.821 2.311 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000823310989 675543959 /nfs/dbraw/zinc/54/39/59/675543959.db2.gz VTJDQXGFHWLOIY-JTQLQIEISA-N 1 1 354.794 2.031 20 5 FEBDMO CC[N@@H+](CCCNC(=O)Cn1c(C)ncc1[N+](=O)[O-])C1CCCCC1 ZINC000823880459 675575603 /nfs/dbraw/zinc/57/56/03/675575603.db2.gz HXHAFNVDMRHWTH-UHFFFAOYSA-N 1 1 351.451 2.261 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])CC1 ZINC000824031719 675580715 /nfs/dbraw/zinc/58/07/15/675580715.db2.gz WIQAFYGTLYZRMT-UHFFFAOYSA-N 1 1 357.357 2.056 20 5 FEBDMO C[C@@H]1C[N@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000824951298 675630624 /nfs/dbraw/zinc/63/06/24/675630624.db2.gz UTJBEPUPCDBDSL-CHWSQXEVSA-N 1 1 369.849 2.406 20 5 FEBDMO C[C@@H]1C[N@@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])[C@H](C)CO1 ZINC000824951298 675630625 /nfs/dbraw/zinc/63/06/25/675630625.db2.gz UTJBEPUPCDBDSL-CHWSQXEVSA-N 1 1 369.849 2.406 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826845857 675709884 /nfs/dbraw/zinc/70/98/84/675709884.db2.gz MIVVLCWJVGNPSD-LLVKDONJSA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000826845857 675709885 /nfs/dbraw/zinc/70/98/85/675709885.db2.gz MIVVLCWJVGNPSD-LLVKDONJSA-N 1 1 366.219 2.471 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000604033957 675803323 /nfs/dbraw/zinc/80/33/23/675803323.db2.gz MIVLCPWEVPDZPF-GASCZTMLSA-N 1 1 369.487 2.382 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000604199908 675803971 /nfs/dbraw/zinc/80/39/71/675803971.db2.gz WXTXESXSSLSXSL-SECBINFHSA-N 1 1 359.329 2.029 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252208 676369014 /nfs/dbraw/zinc/36/90/14/676369014.db2.gz HDOWGWKVUYMIHV-DZGCQCFKSA-N 1 1 350.394 2.042 20 5 FEBDMO C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C1(CO)CCOCC1 ZINC000839577986 680763362 /nfs/dbraw/zinc/76/33/62/680763362.db2.gz IFTVGWYXBCWSBJ-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO C[N@@H+](Cc1cccc([N+](=O)[O-])c1Br)C1(CO)CCOCC1 ZINC000839577986 680763365 /nfs/dbraw/zinc/76/33/65/680763365.db2.gz IFTVGWYXBCWSBJ-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206608 680835387 /nfs/dbraw/zinc/83/53/87/680835387.db2.gz BYAXDBFBVAEXDS-JOYOIKCWSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206608 680835389 /nfs/dbraw/zinc/83/53/89/680835389.db2.gz BYAXDBFBVAEXDS-JOYOIKCWSA-N 1 1 359.835 2.009 20 5 FEBDMO CC1(C)CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[S@@]1=O ZINC000832026107 680078138 /nfs/dbraw/zinc/07/81/38/680078138.db2.gz RGWFJVUFIYOPAE-VWLOTQADSA-N 1 1 371.434 2.296 20 5 FEBDMO CC1(C)CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[S@@]1=O ZINC000832026107 680078144 /nfs/dbraw/zinc/07/81/44/680078144.db2.gz RGWFJVUFIYOPAE-VWLOTQADSA-N 1 1 371.434 2.296 20 5 FEBDMO C[C@H]1CN(CC(F)(F)F)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832283539 680120047 /nfs/dbraw/zinc/12/00/47/680120047.db2.gz BSMWOLYSXXWDDA-DOMZBBRYSA-N 1 1 361.364 2.444 20 5 FEBDMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832283539 680120048 /nfs/dbraw/zinc/12/00/48/680120048.db2.gz BSMWOLYSXXWDDA-DOMZBBRYSA-N 1 1 361.364 2.444 20 5 FEBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063530 680193397 /nfs/dbraw/zinc/19/33/97/680193397.db2.gz CYEMZRWYXVNASH-QOBXEIRBSA-N 1 1 358.225 2.395 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)C[C@@H]21 ZINC000834310858 680211554 /nfs/dbraw/zinc/21/15/54/680211554.db2.gz YJEGLQKKZXUBNJ-SKDRFNHKSA-N 1 1 354.204 2.133 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836083180 680419093 /nfs/dbraw/zinc/41/90/93/680419093.db2.gz AXNVDQWUKSKZHY-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO O=C(NC1(C2CC[NH+](CCc3cccs3)CC2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000148181 680421459 /nfs/dbraw/zinc/42/14/59/680421459.db2.gz CMBCCFJLQSLOPL-HZPDHXFCSA-N 1 1 363.483 2.317 20 5 FEBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643237 680436539 /nfs/dbraw/zinc/43/65/39/680436539.db2.gz KYMNTDQZFGAVEY-IXYNUQLISA-N 1 1 353.369 2.147 20 5 FEBDMO O=C(NCc1ccc(C[NH2+]Cc2ccsc2)cc1F)[C@@H]1CC1[N+](=O)[O-] ZINC001001519160 680466324 /nfs/dbraw/zinc/46/63/24/680466324.db2.gz BHMIYFPJLAUYIE-GDBMZVCRSA-N 1 1 363.414 2.458 20 5 FEBDMO CN(C(=O)[C@@H]1CC1[N+](=O)[O-])C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC001005380302 680573202 /nfs/dbraw/zinc/57/32/02/680573202.db2.gz DGCXHPJUUCYVBA-HUUCEWRRSA-N 1 1 359.417 2.400 20 5 FEBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001045436967 680629775 /nfs/dbraw/zinc/62/97/75/680629775.db2.gz ZMRJOLAVIDVAFM-HUUCEWRRSA-N 1 1 351.834 2.476 20 5 FEBDMO Cc1c(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000838142483 680675552 /nfs/dbraw/zinc/67/55/52/680675552.db2.gz NSOFZWIUGBCZSD-LBPRGKRZSA-N 1 1 350.375 2.273 20 5 FEBDMO COc1cc(NC[C@@H](C(C)C)[NH+]2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000766930271 680893403 /nfs/dbraw/zinc/89/34/03/680893403.db2.gz DOSOFTGBDWPLHC-HNNXBMFYSA-N 1 1 353.419 2.381 20 5 FEBDMO CNC(=O)C1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000768218074 680940962 /nfs/dbraw/zinc/94/09/62/680940962.db2.gz YGAZPFNBPPFFDK-UHFFFAOYSA-N 1 1 356.220 2.315 20 5 FEBDMO NC(=O)C[C@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769524417 680985987 /nfs/dbraw/zinc/98/59/87/680985987.db2.gz MQTSRSUWYFUVTO-SNVBAGLBSA-N 1 1 356.220 2.445 20 5 FEBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769524417 680985988 /nfs/dbraw/zinc/98/59/88/680985988.db2.gz MQTSRSUWYFUVTO-SNVBAGLBSA-N 1 1 356.220 2.445 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000771067083 681040010 /nfs/dbraw/zinc/04/00/10/681040010.db2.gz OUGWZABISHZVEK-ZDUSSCGKSA-N 1 1 353.394 2.434 20 5 FEBDMO Cc1c(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000771396614 681054032 /nfs/dbraw/zinc/05/40/32/681054032.db2.gz NKCFKCWVFUSBFN-VXGBXAGGSA-N 1 1 350.375 2.284 20 5 FEBDMO Cc1c(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000771396614 681054034 /nfs/dbraw/zinc/05/40/34/681054034.db2.gz NKCFKCWVFUSBFN-VXGBXAGGSA-N 1 1 350.375 2.284 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845507760 681133709 /nfs/dbraw/zinc/13/37/09/681133709.db2.gz DITOGPRUEJXKAN-ZDUSSCGKSA-N 1 1 370.812 2.306 20 5 FEBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)C1 ZINC000774641141 681215010 /nfs/dbraw/zinc/21/50/10/681215010.db2.gz YCSJBRSKXSDXEU-LBPRGKRZSA-N 1 1 365.821 2.356 20 5 FEBDMO C[N@H+](CCCn1ccnc1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000774752541 681229390 /nfs/dbraw/zinc/22/93/90/681229390.db2.gz QPBXUZZCJQMUCM-UHFFFAOYSA-N 1 1 351.794 2.405 20 5 FEBDMO C[N@@H+](CCCn1ccnc1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000774752541 681229394 /nfs/dbraw/zinc/22/93/94/681229394.db2.gz QPBXUZZCJQMUCM-UHFFFAOYSA-N 1 1 351.794 2.405 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCc3cccs3)C[C@H]2CC1 ZINC000946589249 681244509 /nfs/dbraw/zinc/24/45/09/681244509.db2.gz OFBOUIBPBZDMGF-YALNPMBYSA-N 1 1 363.483 2.126 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@@H+](CCc3cccs3)C[C@H]2CC1 ZINC000946589249 681244513 /nfs/dbraw/zinc/24/45/13/681244513.db2.gz OFBOUIBPBZDMGF-YALNPMBYSA-N 1 1 363.483 2.126 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCc3cccs3)C[C@H]2CC1 ZINC000946589249 681244517 /nfs/dbraw/zinc/24/45/17/681244517.db2.gz OFBOUIBPBZDMGF-YALNPMBYSA-N 1 1 363.483 2.126 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000932727246 681298138 /nfs/dbraw/zinc/29/81/38/681298138.db2.gz LJWVOVDUMIRADF-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCCN(C)CC1 ZINC000932727246 681298142 /nfs/dbraw/zinc/29/81/42/681298142.db2.gz LJWVOVDUMIRADF-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCN(C)CC1 ZINC000932727246 681298146 /nfs/dbraw/zinc/29/81/46/681298146.db2.gz LJWVOVDUMIRADF-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000848489035 681560029 /nfs/dbraw/zinc/56/00/29/681560029.db2.gz IPZKNPNYRATLSA-UONOGXRCSA-N 1 1 364.789 2.291 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000848489035 681560034 /nfs/dbraw/zinc/56/00/34/681560034.db2.gz IPZKNPNYRATLSA-UONOGXRCSA-N 1 1 364.789 2.291 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581088 681582146 /nfs/dbraw/zinc/58/21/46/681582146.db2.gz LRTHVYCRJUEUCA-UHFFFAOYSA-N 1 1 354.313 2.278 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848583433 681583555 /nfs/dbraw/zinc/58/35/55/681583555.db2.gz ZOVMOSBUFZHUEV-GFCCVEGCSA-N 1 1 357.357 2.415 20 5 FEBDMO COCC[N@@H+](C)C[C@H](O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000848674579 681597127 /nfs/dbraw/zinc/59/71/27/681597127.db2.gz GJAOLLKRGVHTSV-NSHDSACASA-N 1 1 357.457 2.236 20 5 FEBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000912954545 685467880 /nfs/dbraw/zinc/46/78/80/685467880.db2.gz COLQQLPFSMUEIT-UHFFFAOYSA-N 1 1 355.822 2.479 20 5 FEBDMO COc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000849411508 681720165 /nfs/dbraw/zinc/72/01/65/681720165.db2.gz LZAJJVTVEKQLOI-LBPRGKRZSA-N 1 1 371.459 2.002 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1F ZINC000849420104 681725806 /nfs/dbraw/zinc/72/58/06/681725806.db2.gz QZICXNWHIBVWNP-LLVKDONJSA-N 1 1 359.423 2.193 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000935542689 681771664 /nfs/dbraw/zinc/77/16/64/681771664.db2.gz GMICDKZRPJMBRS-LBPRGKRZSA-N 1 1 367.471 2.234 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000935542689 681771666 /nfs/dbraw/zinc/77/16/66/681771666.db2.gz GMICDKZRPJMBRS-LBPRGKRZSA-N 1 1 367.471 2.234 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](Cc1ccns1)CC2 ZINC000957547931 681906508 /nfs/dbraw/zinc/90/65/08/681906508.db2.gz UTOBFGOZAGXHTF-HUUCEWRRSA-N 1 1 364.471 2.013 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782525095 682054091 /nfs/dbraw/zinc/05/40/91/682054091.db2.gz VFDKJYNVODCEEZ-STQMWFEESA-N 1 1 352.410 2.477 20 5 FEBDMO CCN1C[C@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782525095 682054098 /nfs/dbraw/zinc/05/40/98/682054098.db2.gz VFDKJYNVODCEEZ-STQMWFEESA-N 1 1 352.410 2.477 20 5 FEBDMO CCN1C[C@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782525095 682054103 /nfs/dbraw/zinc/05/41/03/682054103.db2.gz VFDKJYNVODCEEZ-STQMWFEESA-N 1 1 352.410 2.477 20 5 FEBDMO CNC(=O)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783570117 682154730 /nfs/dbraw/zinc/15/47/30/682154730.db2.gz HKQAOJXBGLFCDQ-UHFFFAOYSA-N 1 1 355.822 2.365 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCn1cnc(Br)n1 ZINC000852038161 682207700 /nfs/dbraw/zinc/20/77/00/682207700.db2.gz JRSHVFNRCMBSIT-UHFFFAOYSA-N 1 1 354.208 2.123 20 5 FEBDMO O=C(C[N@@H+](CCOCCO)C1CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852293436 682255615 /nfs/dbraw/zinc/25/56/15/682255615.db2.gz UJUZNZRSPIWGBP-UHFFFAOYSA-N 1 1 371.821 2.050 20 5 FEBDMO O=C(C[N@H+](CCOCCO)C1CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852293436 682255616 /nfs/dbraw/zinc/25/56/16/682255616.db2.gz UJUZNZRSPIWGBP-UHFFFAOYSA-N 1 1 371.821 2.050 20 5 FEBDMO O=C(C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852345241 682264362 /nfs/dbraw/zinc/26/43/62/682264362.db2.gz HNZAWCXCNQZBHP-NTZNESFSSA-N 1 1 353.806 2.280 20 5 FEBDMO O=C(C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852345241 682264364 /nfs/dbraw/zinc/26/43/64/682264364.db2.gz HNZAWCXCNQZBHP-NTZNESFSSA-N 1 1 353.806 2.280 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(Br)c1 ZINC000853966202 682495499 /nfs/dbraw/zinc/49/54/99/682495499.db2.gz PRWDVWOSDZJAFP-CYBMUJFWSA-N 1 1 370.247 2.393 20 5 FEBDMO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000788489814 682533346 /nfs/dbraw/zinc/53/33/46/682533346.db2.gz QZOBUATZASANRL-LLVKDONJSA-N 1 1 367.402 2.493 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000855164141 682634390 /nfs/dbraw/zinc/63/43/90/682634390.db2.gz IGMNFMPWSITJBV-LLVKDONJSA-N 1 1 352.410 2.403 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928086428 683376464 /nfs/dbraw/zinc/37/64/64/683376464.db2.gz OJKVUVYHGOFVFA-OCCSQVGLSA-N 1 1 365.455 2.303 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928086428 683376467 /nfs/dbraw/zinc/37/64/67/683376467.db2.gz OJKVUVYHGOFVFA-OCCSQVGLSA-N 1 1 365.455 2.303 20 5 FEBDMO CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000928096051 683386194 /nfs/dbraw/zinc/38/61/94/683386194.db2.gz LJWGKWHTPAJYSU-UKRRQHHQSA-N 1 1 365.455 2.303 20 5 FEBDMO CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000928096051 683386201 /nfs/dbraw/zinc/38/62/01/683386201.db2.gz LJWGKWHTPAJYSU-UKRRQHHQSA-N 1 1 365.455 2.303 20 5 FEBDMO CCOc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000928096050 683386418 /nfs/dbraw/zinc/38/64/18/683386418.db2.gz LJWGKWHTPAJYSU-HIFRSBDPSA-N 1 1 365.455 2.303 20 5 FEBDMO CCOc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000928096050 683386424 /nfs/dbraw/zinc/38/64/24/683386424.db2.gz LJWGKWHTPAJYSU-HIFRSBDPSA-N 1 1 365.455 2.303 20 5 FEBDMO C[C@@H]1[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC[N@H+]1C ZINC000928438450 683451561 /nfs/dbraw/zinc/45/15/61/683451561.db2.gz JXLISZQOJFBOOE-XCBNKYQSSA-N 1 1 360.183 2.319 20 5 FEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000921681308 683541957 /nfs/dbraw/zinc/54/19/57/683541957.db2.gz UTXZORLSZAMKMJ-CVEARBPZSA-N 1 1 364.471 2.016 20 5 FEBDMO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000862216363 683551558 /nfs/dbraw/zinc/55/15/58/683551558.db2.gz IAIZFSSAXMXFTC-UHFFFAOYSA-N 1 1 353.806 2.185 20 5 FEBDMO C[C@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000865143336 683941857 /nfs/dbraw/zinc/94/18/57/683941857.db2.gz VSSWNTKNSUZDLU-SNVBAGLBSA-N 1 1 370.247 2.499 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865608179 684004208 /nfs/dbraw/zinc/00/42/08/684004208.db2.gz DHRDEXBFFZTEOL-LBPRGKRZSA-N 1 1 370.247 2.358 20 5 FEBDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCc1cc([N+](=O)[O-])c(F)cc1F)CC2 ZINC000911475093 685215144 /nfs/dbraw/zinc/21/51/44/685215144.db2.gz QKPPPKUBPJWFMI-SNVBAGLBSA-N 1 1 350.325 2.257 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879047246 686725832 /nfs/dbraw/zinc/72/58/32/686725832.db2.gz GUAMZMNHUIQJNH-INIZCTEOSA-N 1 1 353.394 2.417 20 5 FEBDMO CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136981 687004554 /nfs/dbraw/zinc/00/45/54/687004554.db2.gz VUAXSQODBMTBBT-HOTGVXAUSA-N 1 1 350.394 2.231 20 5 FEBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136981 687004558 /nfs/dbraw/zinc/00/45/58/687004558.db2.gz VUAXSQODBMTBBT-HOTGVXAUSA-N 1 1 350.394 2.231 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136981 687004561 /nfs/dbraw/zinc/00/45/61/687004561.db2.gz VUAXSQODBMTBBT-HOTGVXAUSA-N 1 1 350.394 2.231 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000880312671 687032742 /nfs/dbraw/zinc/03/27/42/687032742.db2.gz UKLQHJDMMNIZTM-BETUJISGSA-N 1 1 368.231 2.267 20 5 FEBDMO CC(=O)N1C[C@@H]2C[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000880312671 687032746 /nfs/dbraw/zinc/03/27/46/687032746.db2.gz UKLQHJDMMNIZTM-BETUJISGSA-N 1 1 368.231 2.267 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000882218754 687327232 /nfs/dbraw/zinc/32/72/32/687327232.db2.gz UFELIBSNTRREFP-OAHLLOKOSA-N 1 1 373.862 2.273 20 5 FEBDMO C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000883205496 687587601 /nfs/dbraw/zinc/58/76/01/687587601.db2.gz XXGCBDGYXHYFJH-GFCCVEGCSA-N 1 1 371.235 2.251 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000884954314 687973609 /nfs/dbraw/zinc/97/36/09/687973609.db2.gz CBUKGNJGJZDYLE-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884959218 687975899 /nfs/dbraw/zinc/97/58/99/687975899.db2.gz JVAJMSZUQBZDLY-KGLIPLIRSA-N 1 1 353.444 2.062 20 5 FEBDMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886305847 688228797 /nfs/dbraw/zinc/22/87/97/688228797.db2.gz RQVWVJOBGRFPCY-QGZVFWFLSA-N 1 1 351.403 2.170 20 5 FEBDMO COC[C@@]1(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886305847 688228799 /nfs/dbraw/zinc/22/87/99/688228799.db2.gz RQVWVJOBGRFPCY-QGZVFWFLSA-N 1 1 351.403 2.170 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886561957 688275273 /nfs/dbraw/zinc/27/52/73/688275273.db2.gz NPCPPGWKPVOKED-TXEJJXNPSA-N 1 1 351.428 2.227 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000886561957 688275274 /nfs/dbraw/zinc/27/52/74/688275274.db2.gz NPCPPGWKPVOKED-TXEJJXNPSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886564556 688276260 /nfs/dbraw/zinc/27/62/60/688276260.db2.gz ZZQKCSJLGXTYAD-TXEJJXNPSA-N 1 1 351.428 2.227 20 5 FEBDMO COCCCOC1CC[NH+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892083979 689148225 /nfs/dbraw/zinc/14/82/25/689148225.db2.gz ULRICWLPXZYIQR-UHFFFAOYSA-N 1 1 354.403 2.327 20 5 FEBDMO CCOC(=O)c1ccnc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895567521 689736743 /nfs/dbraw/zinc/73/67/43/689736743.db2.gz QSJLOHLWFWJUFH-STQMWFEESA-N 1 1 366.443 2.158 20 5 FEBDMO CCOC(=O)c1ccnc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895567521 689736746 /nfs/dbraw/zinc/73/67/46/689736746.db2.gz QSJLOHLWFWJUFH-STQMWFEESA-N 1 1 366.443 2.158 20 5 FEBDMO C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@@H]3C)sc2[N+](=O)[O-])CCN1C ZINC000895741014 689764348 /nfs/dbraw/zinc/76/43/48/689764348.db2.gz WQAQXOJQHRRWFT-DDHJBXDOSA-N 1 1 354.480 2.060 20 5 FEBDMO C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@@H]3C)sc2[N+](=O)[O-])CCN1C ZINC000895741014 689764353 /nfs/dbraw/zinc/76/43/53/689764353.db2.gz WQAQXOJQHRRWFT-DDHJBXDOSA-N 1 1 354.480 2.060 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1 ZINC000896521581 689884704 /nfs/dbraw/zinc/88/47/04/689884704.db2.gz JYMQELXITYDBOH-LLVKDONJSA-N 1 1 371.235 2.418 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+]2C2CCOCC2)c(Br)c1 ZINC000896521581 689884708 /nfs/dbraw/zinc/88/47/08/689884708.db2.gz JYMQELXITYDBOH-LLVKDONJSA-N 1 1 371.235 2.418 20 5 FEBDMO C[C@@H](CNS(=O)(=O)C[C@@]12CC[N@@H+](C1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000907457477 691487849 /nfs/dbraw/zinc/48/78/49/691487849.db2.gz QGLOCITZTRNJAU-YOEHRIQHSA-N 1 1 367.471 2.104 20 5 FEBDMO COc1ncnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-] ZINC001164629828 719078113 /nfs/dbraw/zinc/07/81/13/719078113.db2.gz ZIXFUJAZFBACGG-CVEARBPZSA-N 1 1 369.425 2.494 20 5 FEBDMO Cc1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164867074 721063291 /nfs/dbraw/zinc/06/32/91/721063291.db2.gz HKZBHIGGRHLJQN-SJORKVTESA-N 1 1 369.425 2.173 20 5 FEBDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928498 721857064 /nfs/dbraw/zinc/85/70/64/721857064.db2.gz NROMMKSTRACTFK-OLZOCXBDSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928498 721857066 /nfs/dbraw/zinc/85/70/66/721857066.db2.gz NROMMKSTRACTFK-OLZOCXBDSA-N 1 1 353.854 2.166 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926053 721875601 /nfs/dbraw/zinc/87/56/01/721875601.db2.gz QOUADRJXVAWUQK-ROUUACIJSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926053 721875602 /nfs/dbraw/zinc/87/56/02/721875602.db2.gz QOUADRJXVAWUQK-ROUUACIJSA-N 1 1 355.442 2.358 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164984073 722105633 /nfs/dbraw/zinc/10/56/33/722105633.db2.gz RRDHSUWDEIFYLA-IAGOWNOFSA-N 1 1 369.425 2.112 20 5 FEBDMO Cc1nn(CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c(C)c1[N+](=O)[O-] ZINC000018110255 539646133 /nfs/dbraw/zinc/64/61/33/539646133.db2.gz DUQMPVGPLSWYLC-UHFFFAOYSA-N 1 1 371.441 2.061 20 5 FEBDMO COc1ccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000026483440 539787322 /nfs/dbraw/zinc/78/73/22/539787322.db2.gz KVJUHBNLIHZHJC-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO CNc1ccc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000031337681 539905611 /nfs/dbraw/zinc/90/56/11/539905611.db2.gz YHUWRTPISBYWDT-UHFFFAOYSA-N 1 1 354.410 2.425 20 5 FEBDMO CNc1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000031337681 539905613 /nfs/dbraw/zinc/90/56/13/539905613.db2.gz YHUWRTPISBYWDT-UHFFFAOYSA-N 1 1 354.410 2.425 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000045745005 540225040 /nfs/dbraw/zinc/22/50/40/540225040.db2.gz YGJFSHZQLDEHQP-GXTWGEPZSA-N 1 1 355.460 2.302 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000047144328 540292755 /nfs/dbraw/zinc/29/27/55/540292755.db2.gz NFWQNYYGTNMKCS-AWEZNQCLSA-N 1 1 357.414 2.385 20 5 FEBDMO Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000047744826 540326852 /nfs/dbraw/zinc/32/68/52/540326852.db2.gz KDYCIHNHTQSBHG-IBGZPJMESA-N 1 1 371.437 2.465 20 5 FEBDMO Cc1c(C[N@@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000051499988 540436119 /nfs/dbraw/zinc/43/61/19/540436119.db2.gz CTNJFMOSSVKCRT-UHFFFAOYSA-N 1 1 362.474 2.326 20 5 FEBDMO Cc1c(C[N@H+]2CCCN(CC(=O)NC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000051499988 540436122 /nfs/dbraw/zinc/43/61/22/540436122.db2.gz CTNJFMOSSVKCRT-UHFFFAOYSA-N 1 1 362.474 2.326 20 5 FEBDMO Cc1c(CN2CCC[N@H+](CC(=O)NC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000051499988 540436125 /nfs/dbraw/zinc/43/61/25/540436125.db2.gz CTNJFMOSSVKCRT-UHFFFAOYSA-N 1 1 362.474 2.326 20 5 FEBDMO Cc1c(CN2CCC[N@@H+](CC(=O)NC(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000051499988 540436127 /nfs/dbraw/zinc/43/61/27/540436127.db2.gz CTNJFMOSSVKCRT-UHFFFAOYSA-N 1 1 362.474 2.326 20 5 FEBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000053699291 540549831 /nfs/dbraw/zinc/54/98/31/540549831.db2.gz HFIMPOFGPUNHSM-CYBMUJFWSA-N 1 1 355.460 2.384 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000058275609 540837956 /nfs/dbraw/zinc/83/79/56/540837956.db2.gz XLRKYIZMCYUDOI-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO CCOc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000063836153 541188292 /nfs/dbraw/zinc/18/82/92/541188292.db2.gz CENKUIHJWJSMTQ-ZDUSSCGKSA-N 1 1 365.430 2.462 20 5 FEBDMO COc1cc(OCC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000066022470 541278432 /nfs/dbraw/zinc/27/84/32/541278432.db2.gz QEWUYSTZZQESAU-UONOGXRCSA-N 1 1 365.430 2.361 20 5 FEBDMO CC[NH+]1CCN(C(=O)CC2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000066468209 541321756 /nfs/dbraw/zinc/32/17/56/541321756.db2.gz QTMXNTVXHNECIM-UHFFFAOYSA-N 1 1 360.458 2.365 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000066641735 541353393 /nfs/dbraw/zinc/35/33/93/541353393.db2.gz GJBCWXRJOFTQIV-CYBMUJFWSA-N 1 1 363.414 2.216 20 5 FEBDMO C[NH+]1CCN(C(=O)CC2CCN(c3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000066860377 541382535 /nfs/dbraw/zinc/38/25/35/541382535.db2.gz JRZLYNRHWHCZSA-UHFFFAOYSA-N 1 1 352.460 2.037 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000068476153 541596846 /nfs/dbraw/zinc/59/68/46/541596846.db2.gz QNXFTMXYRYYRRX-GFCCVEGCSA-N 1 1 351.403 2.431 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)CC1 ZINC000068780248 541627213 /nfs/dbraw/zinc/62/72/13/541627213.db2.gz YYLWHWMSVHSOOQ-UHFFFAOYSA-N 1 1 357.414 2.337 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000069527404 541694182 /nfs/dbraw/zinc/69/41/82/541694182.db2.gz CDPNUGROEQWBFI-LBPRGKRZSA-N 1 1 353.444 2.157 20 5 FEBDMO Cc1ccccc1C1(O)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000072794923 541866076 /nfs/dbraw/zinc/86/60/76/541866076.db2.gz NUGYUYUIMIOVNR-UHFFFAOYSA-N 1 1 369.421 2.486 20 5 FEBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)C2 ZINC000073987293 542023429 /nfs/dbraw/zinc/02/34/29/542023429.db2.gz ZZXQLCGDCPQZIZ-LSDHHAIUSA-N 1 1 355.398 2.089 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000074067142 542033411 /nfs/dbraw/zinc/03/34/11/542033411.db2.gz AGIIBOJOMLIKLB-SFHVURJKSA-N 1 1 354.410 2.313 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000074067142 542033412 /nfs/dbraw/zinc/03/34/12/542033412.db2.gz AGIIBOJOMLIKLB-SFHVURJKSA-N 1 1 354.410 2.313 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000801600272 674139777 /nfs/dbraw/zinc/13/97/77/674139777.db2.gz MXVDKYORBIZREB-UHFFFAOYSA-N 1 1 367.427 2.113 20 5 FEBDMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000801600272 674139779 /nfs/dbraw/zinc/13/97/79/674139779.db2.gz MXVDKYORBIZREB-UHFFFAOYSA-N 1 1 367.427 2.113 20 5 FEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078097397 542441373 /nfs/dbraw/zinc/44/13/73/542441373.db2.gz IBIMCDKOFIVFIZ-GOSISDBHSA-N 1 1 355.394 2.112 20 5 FEBDMO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078097397 542441375 /nfs/dbraw/zinc/44/13/75/542441375.db2.gz IBIMCDKOFIVFIZ-GOSISDBHSA-N 1 1 355.394 2.112 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801913408 674154745 /nfs/dbraw/zinc/15/47/45/674154745.db2.gz DOEIRMWHPFWEPS-GFCCVEGCSA-N 1 1 350.394 2.120 20 5 FEBDMO Cc1ccc([C@@H](C)NC(=O)NCc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000083736993 542703557 /nfs/dbraw/zinc/70/35/57/542703557.db2.gz TVKXWDPLTPNMMI-GFCCVEGCSA-N 1 1 360.418 2.263 20 5 FEBDMO Cc1cc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000089960002 542776930 /nfs/dbraw/zinc/77/69/30/542776930.db2.gz ITDNAKQUSUVSPN-RTBURBONSA-N 1 1 369.421 2.268 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)n2)cc1 ZINC000247423853 549332765 /nfs/dbraw/zinc/33/27/65/549332765.db2.gz ZGNGQUADXXPCCA-ZIAGYGMSSA-N 1 1 362.411 2.351 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)n2)cc1 ZINC000247423853 549332767 /nfs/dbraw/zinc/33/27/67/549332767.db2.gz ZGNGQUADXXPCCA-ZIAGYGMSSA-N 1 1 362.411 2.351 20 5 FEBDMO COc1cc(C[NH+]2CCC(N3CCCC3=O)CC2)c([N+](=O)[O-])cc1OC ZINC000093087966 542907909 /nfs/dbraw/zinc/90/79/09/542907909.db2.gz IARHGAGFZGSDAG-UHFFFAOYSA-N 1 1 363.414 2.199 20 5 FEBDMO O=C([C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000093014126 542901831 /nfs/dbraw/zinc/90/18/31/542901831.db2.gz LKACMHOVNDOMDX-SUQGKYDKSA-N 1 1 359.426 2.321 20 5 FEBDMO O=C([C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-])N1CCOCC1 ZINC000093014126 542901836 /nfs/dbraw/zinc/90/18/36/542901836.db2.gz LKACMHOVNDOMDX-SUQGKYDKSA-N 1 1 359.426 2.321 20 5 FEBDMO NC(=O)c1cc(OC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)ccn1 ZINC000093260792 542922029 /nfs/dbraw/zinc/92/20/29/542922029.db2.gz FVQPAWMKSFPOJO-UHFFFAOYSA-N 1 1 356.382 2.132 20 5 FEBDMO CCNC(=O)C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000101589479 543036260 /nfs/dbraw/zinc/03/62/60/543036260.db2.gz MEECQHKYKJSXNR-UHFFFAOYSA-N 1 1 373.409 2.408 20 5 FEBDMO CCN(CC)S(=O)(=O)c1ccc(NCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000101906820 543048389 /nfs/dbraw/zinc/04/83/89/543048389.db2.gz LTTSPJPBKMXNQU-UHFFFAOYSA-N 1 1 372.491 2.377 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000105090246 543157913 /nfs/dbraw/zinc/15/79/13/543157913.db2.gz GBIIIVDNYBXKEK-OAHLLOKOSA-N 1 1 363.462 2.426 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000109966784 543345297 /nfs/dbraw/zinc/34/52/97/543345297.db2.gz XFUWIILZSMJUQK-KRWDZBQOSA-N 1 1 357.414 2.385 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000112851476 543465134 /nfs/dbraw/zinc/46/51/34/543465134.db2.gz JTYVNBDYDPIJRF-GDBMZVCRSA-N 1 1 374.441 2.175 20 5 FEBDMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000114188153 543506748 /nfs/dbraw/zinc/50/67/48/543506748.db2.gz GMQCETDYGNMJMD-GOEBONIOSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000114188153 543506751 /nfs/dbraw/zinc/50/67/51/543506751.db2.gz GMQCETDYGNMJMD-GOEBONIOSA-N 1 1 351.403 2.167 20 5 FEBDMO CC1CCC([N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]2CCCO2)CC1 ZINC000247468741 549338819 /nfs/dbraw/zinc/33/88/19/549338819.db2.gz JBGMIQSOGDAPFR-NANBGGJNSA-N 1 1 366.462 2.212 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCCn1ccnc1 ZINC000124315460 543813262 /nfs/dbraw/zinc/81/32/62/543813262.db2.gz OMTZUVWARIJSHX-ZDUSSCGKSA-N 1 1 361.402 2.149 20 5 FEBDMO Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000123947653 543792788 /nfs/dbraw/zinc/79/27/88/543792788.db2.gz WVOUUIMQQKBUMF-PWSUYJOCSA-N 1 1 350.375 2.366 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000124703852 543837760 /nfs/dbraw/zinc/83/77/60/543837760.db2.gz SIYKVMAPYMZNEO-NSHDSACASA-N 1 1 370.247 2.358 20 5 FEBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CN1 ZINC000124893445 543850133 /nfs/dbraw/zinc/85/01/33/543850133.db2.gz PJALTZBXYPHPCW-UKRRQHHQSA-N 1 1 371.397 2.135 20 5 FEBDMO COc1cc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000127165001 543976421 /nfs/dbraw/zinc/97/64/21/543976421.db2.gz KCHAJPSZFTZUBP-UWVGGRQHSA-N 1 1 373.356 2.369 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC[N@@H+]1CCOC ZINC000127980525 544025453 /nfs/dbraw/zinc/02/54/53/544025453.db2.gz ZTZGXDUUNYVNON-OAHLLOKOSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2OC)CC[N@H+]1CCOC ZINC000127980525 544025456 /nfs/dbraw/zinc/02/54/56/544025456.db2.gz ZTZGXDUUNYVNON-OAHLLOKOSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000131016561 544173845 /nfs/dbraw/zinc/17/38/45/544173845.db2.gz UHECDNZGIOTWGQ-CQSZACIVSA-N 1 1 353.394 2.307 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCOC ZINC000131016561 544173847 /nfs/dbraw/zinc/17/38/47/544173847.db2.gz UHECDNZGIOTWGQ-CQSZACIVSA-N 1 1 353.394 2.307 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000133287867 544263167 /nfs/dbraw/zinc/26/31/67/544263167.db2.gz JTGBSSOTIMAUMB-UHFFFAOYSA-N 1 1 359.430 2.127 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134934422 544328052 /nfs/dbraw/zinc/32/80/52/544328052.db2.gz OGISUJRCIUNJCZ-RHSMWYFYSA-N 1 1 371.441 2.269 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000134934403 544328237 /nfs/dbraw/zinc/32/82/37/544328237.db2.gz OGISUJRCIUNJCZ-YOEHRIQHSA-N 1 1 371.441 2.269 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)COC[C@@H]1CCCO1)C1CC1 ZINC000135234072 544338941 /nfs/dbraw/zinc/33/89/41/544338941.db2.gz KQFDIIWDNQMYJN-IRXDYDNUSA-N 1 1 350.415 2.116 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000139652330 544403905 /nfs/dbraw/zinc/40/39/05/544403905.db2.gz KFGMZFYOZSHMHG-CYBMUJFWSA-N 1 1 355.822 2.215 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000151388565 544535897 /nfs/dbraw/zinc/53/58/97/544535897.db2.gz QLHGGQVKCCXZES-AWEZNQCLSA-N 1 1 355.460 2.279 20 5 FEBDMO C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCC[N@H+]1Cc1ccccc1 ZINC000154829355 544954713 /nfs/dbraw/zinc/95/47/13/544954713.db2.gz FJJFPQWMCKQZOA-IBGZPJMESA-N 1 1 369.425 2.357 20 5 FEBDMO CC(C)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000552579622 674215642 /nfs/dbraw/zinc/21/56/42/674215642.db2.gz NVWOWJLLRCODRD-AWEZNQCLSA-N 1 1 355.460 2.336 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000552999384 674232920 /nfs/dbraw/zinc/23/29/20/674232920.db2.gz BVOKLXGJRXEYKA-ZDUSSCGKSA-N 1 1 367.471 2.389 20 5 FEBDMO CC[N@H+]1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000552999384 674232924 /nfs/dbraw/zinc/23/29/24/674232924.db2.gz BVOKLXGJRXEYKA-ZDUSSCGKSA-N 1 1 367.471 2.389 20 5 FEBDMO CN(C)C(=O)CC1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000182239373 327767231 /nfs/dbraw/zinc/76/72/31/327767231.db2.gz MCQFEZVQAOSPCS-UHFFFAOYSA-N 1 1 373.413 2.335 20 5 FEBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000187318738 328016315 /nfs/dbraw/zinc/01/63/15/328016315.db2.gz WVGQNUPVILTRLG-MRXNPFEDSA-N 1 1 359.430 2.064 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188720422 328106420 /nfs/dbraw/zinc/10/64/20/328106420.db2.gz BEOJBTJDTWCEMP-ATGUSINASA-N 1 1 361.442 2.302 20 5 FEBDMO CC(C)c1ccc(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000189795637 328168624 /nfs/dbraw/zinc/16/86/24/328168624.db2.gz GYNWMNGGJFWGJH-HNNXBMFYSA-N 1 1 362.474 2.332 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189925965 328176460 /nfs/dbraw/zinc/17/64/60/328176460.db2.gz HQFYRKKLYUERTR-CQSZACIVSA-N 1 1 351.447 2.271 20 5 FEBDMO Cc1c(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000190046069 328184364 /nfs/dbraw/zinc/18/43/64/328184364.db2.gz GLDWJBDYVCEFRB-LBPRGKRZSA-N 1 1 350.419 2.212 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)n1 ZINC000191462972 328267007 /nfs/dbraw/zinc/26/70/07/328267007.db2.gz YBNUDCVDCPEMHD-ZDUSSCGKSA-N 1 1 361.402 2.361 20 5 FEBDMO CCN1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191538737 328270126 /nfs/dbraw/zinc/27/01/26/328270126.db2.gz MHIMGKLFUBAELY-UHFFFAOYSA-N 1 1 357.414 2.050 20 5 FEBDMO CCN1CCC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000191538737 328270127 /nfs/dbraw/zinc/27/01/27/328270127.db2.gz MHIMGKLFUBAELY-UHFFFAOYSA-N 1 1 357.414 2.050 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000191645775 328275613 /nfs/dbraw/zinc/27/56/13/328275613.db2.gz XYXFPRVUGDRXFS-MRXNPFEDSA-N 1 1 371.441 2.405 20 5 FEBDMO COc1ccnc(NC2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)n1 ZINC000191689118 328277136 /nfs/dbraw/zinc/27/71/36/328277136.db2.gz OGCCNLLJPKFBAM-UHFFFAOYSA-N 1 1 373.413 2.479 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000191842757 328284269 /nfs/dbraw/zinc/28/42/69/328284269.db2.gz KHLAHZDDTLOVGH-ZFWWWQNUSA-N 1 1 357.414 2.204 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000192728755 328335767 /nfs/dbraw/zinc/33/57/67/328335767.db2.gz JVRANGXLIICVGB-HOTGVXAUSA-N 1 1 359.430 2.167 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000008863774 324363890 /nfs/dbraw/zinc/36/38/90/324363890.db2.gz VJPMCRRGFXBQJK-CQSZACIVSA-N 1 1 362.411 2.014 20 5 FEBDMO C[C@H]1CCCCN1C(=O)CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000079954226 325111529 /nfs/dbraw/zinc/11/15/29/325111529.db2.gz PGHFZHBONVUEOS-KRWDZBQOSA-N 1 1 374.485 2.156 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000081516149 325180332 /nfs/dbraw/zinc/18/03/32/325180332.db2.gz NTQOCDPEHOQQSE-OAHLLOKOSA-N 1 1 360.458 2.148 20 5 FEBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000085455777 325254659 /nfs/dbraw/zinc/25/46/59/325254659.db2.gz STZOZFPVEHXFLY-BETUJISGSA-N 1 1 353.394 2.353 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000085620404 325256708 /nfs/dbraw/zinc/25/67/08/325256708.db2.gz VHZYZVFPFLOIGQ-LBPRGKRZSA-N 1 1 350.419 2.301 20 5 FEBDMO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089913392 325342672 /nfs/dbraw/zinc/34/26/72/325342672.db2.gz YEORODPDOPWYSY-QGZVFWFLSA-N 1 1 363.370 2.308 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000090461683 325359480 /nfs/dbraw/zinc/35/94/80/325359480.db2.gz ZBNWHJOUSAYGPC-OLZOCXBDSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc([N+](=O)[O-])ccc1Cl ZINC000090461683 325359483 /nfs/dbraw/zinc/35/94/83/325359483.db2.gz ZBNWHJOUSAYGPC-OLZOCXBDSA-N 1 1 353.806 2.231 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000111706342 325731398 /nfs/dbraw/zinc/73/13/98/325731398.db2.gz BJLJOOPCAJUXTH-UHFFFAOYSA-N 1 1 356.810 2.434 20 5 FEBDMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866307 326109928 /nfs/dbraw/zinc/10/99/28/326109928.db2.gz GCSWHNVOHXWZPY-KFWWJZLASA-N 1 1 361.446 2.266 20 5 FEBDMO C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866307 326109929 /nfs/dbraw/zinc/10/99/29/326109929.db2.gz GCSWHNVOHXWZPY-KFWWJZLASA-N 1 1 361.446 2.266 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000119716362 326190855 /nfs/dbraw/zinc/19/08/55/326190855.db2.gz XUZWCKWZRUMIDR-CYBMUJFWSA-N 1 1 353.394 2.207 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000120028243 326223075 /nfs/dbraw/zinc/22/30/75/326223075.db2.gz DYJMQQZAPBHOEO-SFHVURJKSA-N 1 1 370.409 2.483 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1C ZINC000120600797 326271559 /nfs/dbraw/zinc/27/15/59/326271559.db2.gz FNAHWRYEDNZJHI-GXTWGEPZSA-N 1 1 353.444 2.069 20 5 FEBDMO Cn1cc[nH+]c1CC1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000121891146 326374250 /nfs/dbraw/zinc/37/42/50/326374250.db2.gz LPCXGMAMDQCKMY-UHFFFAOYSA-N 1 1 373.369 2.331 20 5 FEBDMO CN(C)C(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000162629437 327030390 /nfs/dbraw/zinc/03/03/90/327030390.db2.gz BAQISCQTABWHOC-UHFFFAOYSA-N 1 1 357.357 2.496 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000162810584 327035327 /nfs/dbraw/zinc/03/53/27/327035327.db2.gz NEKRAJSTMGMFNC-ZDUSSCGKSA-N 1 1 367.471 2.405 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2CCC([N@@H+](C)CCO)CC2)cc1[N+](=O)[O-] ZINC000164055723 327063946 /nfs/dbraw/zinc/06/39/46/327063946.db2.gz LUYLKOMNCDXEOV-AWEZNQCLSA-N 1 1 364.446 2.062 20 5 FEBDMO CCc1[nH]nc(C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1[N+](=O)[O-] ZINC000171679862 327154449 /nfs/dbraw/zinc/15/44/49/327154449.db2.gz OPRUSBFJYZCXGK-UHFFFAOYSA-N 1 1 363.393 2.223 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000172833522 327221386 /nfs/dbraw/zinc/22/13/86/327221386.db2.gz XPZBPSUIODVGEI-HNNXBMFYSA-N 1 1 372.429 2.122 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)s1 ZINC000173865058 327289845 /nfs/dbraw/zinc/28/98/45/327289845.db2.gz SRWJRMHWUMHNFZ-GFCCVEGCSA-N 1 1 359.473 2.199 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000173954895 327297432 /nfs/dbraw/zinc/29/74/32/327297432.db2.gz IQZKYYRBIFJPME-RDJZCZTQSA-N 1 1 351.447 2.141 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000174021654 327302134 /nfs/dbraw/zinc/30/21/34/327302134.db2.gz KOUARBATTAQNFI-ZDUSSCGKSA-N 1 1 355.460 2.120 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000174184724 327311188 /nfs/dbraw/zinc/31/11/88/327311188.db2.gz NAUDTCAKHPEGBD-JSGCOSHPSA-N 1 1 350.419 2.228 20 5 FEBDMO CCc1ccc(C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000174210903 327313407 /nfs/dbraw/zinc/31/34/07/327313407.db2.gz SSPFGTSKBFFLKW-AWEZNQCLSA-N 1 1 361.442 2.483 20 5 FEBDMO CCc1ccc(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000174230838 327314460 /nfs/dbraw/zinc/31/44/60/327314460.db2.gz ZFEYTZLSKACHLS-HNNXBMFYSA-N 1 1 362.474 2.161 20 5 FEBDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174840821 327354511 /nfs/dbraw/zinc/35/45/11/327354511.db2.gz KKHBFCLWUSGPRF-ZDUSSCGKSA-N 1 1 353.423 2.123 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCCCCn1cc[nH+]c1C ZINC000175289582 327385008 /nfs/dbraw/zinc/38/50/08/327385008.db2.gz VKLDPNHTCHWANW-UHFFFAOYSA-N 1 1 361.402 2.388 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261619720 328806072 /nfs/dbraw/zinc/80/60/72/328806072.db2.gz ACENGHLIRMDMRG-KRWDZBQOSA-N 1 1 359.357 2.286 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)c1[N+](=O)[O-] ZINC000261927021 328829746 /nfs/dbraw/zinc/82/97/46/328829746.db2.gz JDYIWYDYXZAJST-ZDUSSCGKSA-N 1 1 363.805 2.077 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000262303614 328858024 /nfs/dbraw/zinc/85/80/24/328858024.db2.gz XWSIANUHJXNSLF-LLVKDONJSA-N 1 1 365.386 2.421 20 5 FEBDMO CC1(C)CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000264349490 329013111 /nfs/dbraw/zinc/01/31/11/329013111.db2.gz ZIKXSHPZTRWWTC-UHFFFAOYSA-N 1 1 369.425 2.190 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000264880121 329070611 /nfs/dbraw/zinc/07/06/11/329070611.db2.gz CMOJIAIYOSJUSW-ZDUSSCGKSA-N 1 1 363.414 2.360 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000266153042 329195486 /nfs/dbraw/zinc/19/54/86/329195486.db2.gz RGBMPGDAUODFDY-INIZCTEOSA-N 1 1 360.458 2.145 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566472 329236761 /nfs/dbraw/zinc/23/67/61/329236761.db2.gz RLQDHQZYPFLRAC-KGLIPLIRSA-N 1 1 363.414 2.311 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1[N+](=O)[O-] ZINC000267411658 329324571 /nfs/dbraw/zinc/32/45/71/329324571.db2.gz KOGCKRGXPPWGIV-IUODEOHRSA-N 1 1 357.414 2.267 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267411660 329324578 /nfs/dbraw/zinc/32/45/78/329324578.db2.gz KOGCKRGXPPWGIV-WFASDCNBSA-N 1 1 357.414 2.267 20 5 FEBDMO O=C(CN1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267449743 329328381 /nfs/dbraw/zinc/32/83/81/329328381.db2.gz RCFJNMWEFBGJLF-AWEZNQCLSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267449743 329328382 /nfs/dbraw/zinc/32/83/82/329328382.db2.gz RCFJNMWEFBGJLF-AWEZNQCLSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000267449743 329328383 /nfs/dbraw/zinc/32/83/83/329328383.db2.gz RCFJNMWEFBGJLF-AWEZNQCLSA-N 1 1 355.398 2.087 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272281833 329766477 /nfs/dbraw/zinc/76/64/77/329766477.db2.gz DPYSWQGMCYEUMD-UHFFFAOYSA-N 1 1 351.794 2.295 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000273312215 329854833 /nfs/dbraw/zinc/85/48/33/329854833.db2.gz IIPUUIMFJMCCCY-BUHFOSPRSA-N 1 1 355.398 2.080 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275461352 330051292 /nfs/dbraw/zinc/05/12/92/330051292.db2.gz NHTMZDZWYHXDOW-OAHLLOKOSA-N 1 1 351.403 2.025 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367063904 330212898 /nfs/dbraw/zinc/21/28/98/330212898.db2.gz AMEAWPILKJAVJB-OAHLLOKOSA-N 1 1 371.441 2.169 20 5 FEBDMO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000367202209 330229506 /nfs/dbraw/zinc/22/95/06/330229506.db2.gz SQCLLWFXKJAECN-CQSZACIVSA-N 1 1 355.398 2.091 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1[N+](=O)[O-] ZINC000371457221 330244047 /nfs/dbraw/zinc/24/40/47/330244047.db2.gz SAJUTPMWEGWMDI-UHFFFAOYSA-N 1 1 371.441 2.293 20 5 FEBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461426 330245006 /nfs/dbraw/zinc/24/50/06/330245006.db2.gz XWFNYAWNDVZEAF-CRAIPNDOSA-N 1 1 360.414 2.295 20 5 FEBDMO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375785026 330251104 /nfs/dbraw/zinc/25/11/04/330251104.db2.gz AHRJUBHEVJUNPC-CVEARBPZSA-N 1 1 363.414 2.464 20 5 FEBDMO O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000375785026 330251105 /nfs/dbraw/zinc/25/11/05/330251105.db2.gz AHRJUBHEVJUNPC-CVEARBPZSA-N 1 1 363.414 2.464 20 5 FEBDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000155572951 545544895 /nfs/dbraw/zinc/54/48/95/545544895.db2.gz GQTMAQYBLALTQR-HNNXBMFYSA-N 1 1 371.441 2.343 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156327722 545618328 /nfs/dbraw/zinc/61/83/28/545618328.db2.gz KSIOYLJYPSOVNL-CQSZACIVSA-N 1 1 367.471 2.373 20 5 FEBDMO CC(=O)N1CC[C@H](C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000156680783 545647664 /nfs/dbraw/zinc/64/76/64/545647664.db2.gz DMXQGUXKIJZCAJ-OAHLLOKOSA-N 1 1 362.430 2.032 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC(C)(C)[C@H]1C ZINC000477695341 561151335 /nfs/dbraw/zinc/15/13/35/561151335.db2.gz RQIHBOWQSYMWEZ-GFCCVEGCSA-N 1 1 351.403 2.431 20 5 FEBDMO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000159269238 545937977 /nfs/dbraw/zinc/93/79/77/545937977.db2.gz AWOACATZPLREHD-UHFFFAOYSA-N 1 1 368.437 2.495 20 5 FEBDMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000159511876 545959345 /nfs/dbraw/zinc/95/93/45/545959345.db2.gz ISXOLFMFINDPKP-UHFFFAOYSA-N 1 1 365.405 2.499 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000159728657 545975918 /nfs/dbraw/zinc/97/59/18/545975918.db2.gz GPLLIRVXLGXMLF-INIZCTEOSA-N 1 1 371.393 2.365 20 5 FEBDMO CN(CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159861854 545986703 /nfs/dbraw/zinc/98/67/03/545986703.db2.gz XCBYQZXNUDNCKN-SFHVURJKSA-N 1 1 370.453 2.210 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](CC2CCC2)CC1 ZINC000173467264 546282191 /nfs/dbraw/zinc/28/21/91/546282191.db2.gz UYSNHTCTDQMBLS-UHFFFAOYSA-N 1 1 353.444 2.010 20 5 FEBDMO Cc1cc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)cc([N+](=O)[O-])c1 ZINC000175980648 546384187 /nfs/dbraw/zinc/38/41/87/546384187.db2.gz GPEIUQVBJPHYRB-KRWDZBQOSA-N 1 1 360.458 2.145 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000176435140 546445755 /nfs/dbraw/zinc/44/57/55/546445755.db2.gz FDRLEWXSNYEIQQ-ZBFHGGJFSA-N 1 1 362.430 2.372 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C)C1 ZINC000176724734 546480658 /nfs/dbraw/zinc/48/06/58/546480658.db2.gz DWMDVDRXJIJNSH-HIFRSBDPSA-N 1 1 364.446 2.044 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000480513087 561210998 /nfs/dbraw/zinc/21/09/98/561210998.db2.gz ORKKFPKQITYAMB-AWEZNQCLSA-N 1 1 370.475 2.309 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000176985033 546517940 /nfs/dbraw/zinc/51/79/40/546517940.db2.gz MRUIIFMCHSSQKJ-UHFFFAOYSA-N 1 1 351.403 2.294 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@H+]2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000176985033 546517942 /nfs/dbraw/zinc/51/79/42/546517942.db2.gz MRUIIFMCHSSQKJ-UHFFFAOYSA-N 1 1 351.403 2.294 20 5 FEBDMO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000178003020 546721187 /nfs/dbraw/zinc/72/11/87/546721187.db2.gz MZAPTHPLMVFNHF-CQSZACIVSA-N 1 1 367.833 2.319 20 5 FEBDMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000178003020 546721189 /nfs/dbraw/zinc/72/11/89/546721189.db2.gz MZAPTHPLMVFNHF-CQSZACIVSA-N 1 1 367.833 2.319 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)Nc1cccc([N+](=O)[O-])c1 ZINC000180723444 547166775 /nfs/dbraw/zinc/16/67/75/547166775.db2.gz AWRMWZBBEGXOEX-SFHVURJKSA-N 1 1 370.409 2.483 20 5 FEBDMO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000180917196 547208771 /nfs/dbraw/zinc/20/87/71/547208771.db2.gz UMQZUNZHQJSLPH-CYBMUJFWSA-N 1 1 354.410 2.354 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000483252718 561271853 /nfs/dbraw/zinc/27/18/53/561271853.db2.gz XNYMHQYKGPNANS-ZDUSSCGKSA-N 1 1 372.208 2.387 20 5 FEBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277043 561272696 /nfs/dbraw/zinc/27/26/96/561272696.db2.gz IMHLIZNBIYTTFS-XJKSGUPXSA-N 1 1 361.398 2.264 20 5 FEBDMO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182339142 547475162 /nfs/dbraw/zinc/47/51/62/547475162.db2.gz GVYGBZMQNNNQQL-ZFWWWQNUSA-N 1 1 350.419 2.454 20 5 FEBDMO CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000182339142 547475165 /nfs/dbraw/zinc/47/51/65/547475165.db2.gz GVYGBZMQNNNQQL-ZFWWWQNUSA-N 1 1 350.419 2.454 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000183470315 547666579 /nfs/dbraw/zinc/66/65/79/547666579.db2.gz PZFLNLODMOOVDY-UHFFFAOYSA-N 1 1 367.471 2.027 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183662486 547697239 /nfs/dbraw/zinc/69/72/39/547697239.db2.gz QIODNEQPDRYGLV-MRXNPFEDSA-N 1 1 369.487 2.321 20 5 FEBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183911696 547738783 /nfs/dbraw/zinc/73/87/83/547738783.db2.gz BYKJQOQROWKJOF-QGZVFWFLSA-N 1 1 371.441 2.458 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245440973 548921242 /nfs/dbraw/zinc/92/12/42/548921242.db2.gz VCWNVIPCCCETAP-BBRMVZONSA-N 1 1 364.446 2.204 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+](CCO)Cc2cccc(Br)c2)n1 ZINC000488205276 561386042 /nfs/dbraw/zinc/38/60/42/561386042.db2.gz ZFGWCPRVWZMBGS-UHFFFAOYSA-N 1 1 369.219 2.048 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000246085917 549048754 /nfs/dbraw/zinc/04/87/54/549048754.db2.gz GGFXVZRTQNGLRK-DOMZBBRYSA-N 1 1 355.460 2.172 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246204972 549077117 /nfs/dbraw/zinc/07/71/17/549077117.db2.gz DWGXMXVNOVZCBK-MLGOLLRUSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246204972 549077123 /nfs/dbraw/zinc/07/71/23/549077123.db2.gz DWGXMXVNOVZCBK-MLGOLLRUSA-N 1 1 351.403 2.025 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000246315548 549103765 /nfs/dbraw/zinc/10/37/65/549103765.db2.gz RDTHLMPPGDIVHE-HOCLYGCPSA-N 1 1 359.426 2.449 20 5 FEBDMO CCOc1ccc(NC(=O)C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000488794916 561397277 /nfs/dbraw/zinc/39/72/77/561397277.db2.gz KPUVOTXFGKTCMK-UHFFFAOYSA-N 1 1 373.413 2.466 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000246699086 549190764 /nfs/dbraw/zinc/19/07/64/549190764.db2.gz WDGBWYUCHKODJR-GXTWGEPZSA-N 1 1 363.414 2.168 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000488758536 561396433 /nfs/dbraw/zinc/39/64/33/561396433.db2.gz JLGFESKDUYYNCY-QWRGUYRKSA-N 1 1 360.357 2.450 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000246716524 549194610 /nfs/dbraw/zinc/19/46/10/549194610.db2.gz KAAFBOIETJKBFS-GOEBONIOSA-N 1 1 374.441 2.175 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246776778 549210658 /nfs/dbraw/zinc/21/06/58/549210658.db2.gz PDGXVIRWSPBNAK-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCS[C@@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000246789697 549212767 /nfs/dbraw/zinc/21/27/67/549212767.db2.gz ISQIBWOIEZHHKM-HZPDHXFCSA-N 1 1 365.455 2.438 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247014690 549264956 /nfs/dbraw/zinc/26/49/56/549264956.db2.gz PYYYJXYZFUJNQA-GDBMZVCRSA-N 1 1 363.462 2.213 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000248367145 549422847 /nfs/dbraw/zinc/42/28/47/549422847.db2.gz SYNGDZYEKMEROM-CABCVRRESA-N 1 1 367.471 2.459 20 5 FEBDMO C[C@@H](O)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000248473684 549447595 /nfs/dbraw/zinc/44/75/95/549447595.db2.gz WWUPUHLZUIOSLY-GDBMZVCRSA-N 1 1 352.431 2.350 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CCO[C@@H]1C ZINC000489395444 561409930 /nfs/dbraw/zinc/40/99/30/561409930.db2.gz CTWVZFUNRSBULI-PBHICJAKSA-N 1 1 365.430 2.358 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000249210132 549569499 /nfs/dbraw/zinc/56/94/99/549569499.db2.gz SKDOLHNTFJSKBI-WFASDCNBSA-N 1 1 362.430 2.030 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249717849 549618654 /nfs/dbraw/zinc/61/86/54/549618654.db2.gz JWNXAMRIBFFAQS-UKRRQHHQSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000249717849 549618659 /nfs/dbraw/zinc/61/86/59/549618659.db2.gz JWNXAMRIBFFAQS-UKRRQHHQSA-N 1 1 374.441 2.160 20 5 FEBDMO COc1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000249734450 549620689 /nfs/dbraw/zinc/62/06/89/549620689.db2.gz CXNFDUNTVYWELB-CHWSQXEVSA-N 1 1 365.430 2.462 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000251849685 549655268 /nfs/dbraw/zinc/65/52/68/549655268.db2.gz NKMFZKKUCSPQEG-BLLLJJGKSA-N 1 1 351.403 2.289 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000253352805 549682639 /nfs/dbraw/zinc/68/26/39/549682639.db2.gz RIYDYGPAQLVPKR-GJZGRUSLSA-N 1 1 367.471 2.459 20 5 FEBDMO Cc1c(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000253357896 549683545 /nfs/dbraw/zinc/68/35/45/549683545.db2.gz JHUZDOPUHBNHOM-OLZOCXBDSA-N 1 1 362.430 2.078 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)n2)cc1 ZINC000263641628 549911689 /nfs/dbraw/zinc/91/16/89/549911689.db2.gz CGODVDACOBUMMS-CYBMUJFWSA-N 1 1 360.370 2.230 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H](C4OCCO4)C3)n2)cc1 ZINC000263641628 549911691 /nfs/dbraw/zinc/91/16/91/549911691.db2.gz CGODVDACOBUMMS-CYBMUJFWSA-N 1 1 360.370 2.230 20 5 FEBDMO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000263647936 549912410 /nfs/dbraw/zinc/91/24/10/549912410.db2.gz BARHQKYGNZPXEQ-GOSISDBHSA-N 1 1 355.394 2.440 20 5 FEBDMO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H]1OCCc2ccccc21 ZINC000263647936 549912412 /nfs/dbraw/zinc/91/24/12/549912412.db2.gz BARHQKYGNZPXEQ-GOSISDBHSA-N 1 1 355.394 2.440 20 5 FEBDMO COc1cc(C(=O)NCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])cc1OC ZINC000264118757 549981294 /nfs/dbraw/zinc/98/12/94/549981294.db2.gz CMVYKRFZODULKL-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269207443 550167594 /nfs/dbraw/zinc/16/75/94/550167594.db2.gz JQNWMRTXNVEXRQ-UHFFFAOYSA-N 1 1 364.446 2.237 20 5 FEBDMO COc1cc(C[N@@H+](C)CC(C)(C)CN2CCOCC2)ccc1[N+](=O)[O-] ZINC000492728840 561452569 /nfs/dbraw/zinc/45/25/69/561452569.db2.gz QCQDTQDWVQNFFE-UHFFFAOYSA-N 1 1 351.447 2.394 20 5 FEBDMO NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000493000803 561453945 /nfs/dbraw/zinc/45/39/45/561453945.db2.gz AIIWMGHLXCLBQJ-SNVBAGLBSA-N 1 1 363.805 2.450 20 5 FEBDMO NC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000493000803 561453946 /nfs/dbraw/zinc/45/39/46/561453946.db2.gz AIIWMGHLXCLBQJ-SNVBAGLBSA-N 1 1 363.805 2.450 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270870962 550315870 /nfs/dbraw/zinc/31/58/70/550315870.db2.gz OCJPTJYNRXBODF-IEBWSBKVSA-N 1 1 369.421 2.208 20 5 FEBDMO Cc1cc(C2CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000271572692 550386876 /nfs/dbraw/zinc/38/68/76/550386876.db2.gz AFFUZMQJKOOPAM-INIZCTEOSA-N 1 1 360.414 2.246 20 5 FEBDMO C[C@@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271622730 550390819 /nfs/dbraw/zinc/39/08/19/550390819.db2.gz NDUIPLCYCOXYJO-QLFBSQMISA-N 1 1 364.446 2.454 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@]1(C)CCCO ZINC000272044099 550418524 /nfs/dbraw/zinc/41/85/24/550418524.db2.gz RQCLOFZNILUGAX-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@]1(C)CCCO ZINC000272044099 550418526 /nfs/dbraw/zinc/41/85/26/550418526.db2.gz RQCLOFZNILUGAX-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1n[nH]c(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000272274183 550433147 /nfs/dbraw/zinc/43/31/47/550433147.db2.gz LXDWCIXITUTVBB-SWLSCSKDSA-N 1 1 357.414 2.267 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272384979 550443063 /nfs/dbraw/zinc/44/30/63/550443063.db2.gz HHOVRGNNMHVORS-HALDLXJZSA-N 1 1 371.441 2.215 20 5 FEBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000272424139 550446954 /nfs/dbraw/zinc/44/69/54/550446954.db2.gz FIXNPGQWKVYYHG-UHFFFAOYSA-N 1 1 372.834 2.430 20 5 FEBDMO COc1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000272452592 550449370 /nfs/dbraw/zinc/44/93/70/550449370.db2.gz MVWFHBZIGSFDNB-CABCVRRESA-N 1 1 362.430 2.229 20 5 FEBDMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000272486014 550452361 /nfs/dbraw/zinc/45/23/61/550452361.db2.gz RMEKRDNZRBGWET-HIFRSBDPSA-N 1 1 355.398 2.085 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272497583 550452937 /nfs/dbraw/zinc/45/29/37/550452937.db2.gz GHPSLKJQRPMXPD-BVGQSLNGSA-N 1 1 355.442 2.490 20 5 FEBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521061 550455073 /nfs/dbraw/zinc/45/50/73/550455073.db2.gz PXHNNOONLFWLMO-OLZOCXBDSA-N 1 1 353.423 2.026 20 5 FEBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](CCO)c1ccccc1 ZINC000273362429 550495425 /nfs/dbraw/zinc/49/54/25/550495425.db2.gz QTGZKXZEPQOZMG-SJORKVTESA-N 1 1 360.410 2.390 20 5 FEBDMO CCN1CC[NH+](Cc2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2)CC1 ZINC000273649216 550506802 /nfs/dbraw/zinc/50/68/02/550506802.db2.gz UDBVIMQHNMRQIA-UHFFFAOYSA-N 1 1 356.430 2.134 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](CCN4CCCCC4)CC3)nc2c1 ZINC000274788805 550554790 /nfs/dbraw/zinc/55/47/90/550554790.db2.gz BNSZTSDWDSNYDY-UHFFFAOYSA-N 1 1 372.473 2.469 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCN4CCCCC4)CC3)nc2c1 ZINC000274788805 550554792 /nfs/dbraw/zinc/55/47/92/550554792.db2.gz BNSZTSDWDSNYDY-UHFFFAOYSA-N 1 1 372.473 2.469 20 5 FEBDMO COC(=O)c1cnc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000276836088 550601369 /nfs/dbraw/zinc/60/13/69/550601369.db2.gz VTPZDADCTXEEQQ-SWLSCSKDSA-N 1 1 360.414 2.230 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276999234 550620389 /nfs/dbraw/zinc/62/03/89/550620389.db2.gz WCYLBIUNQRPIAW-UHFFFAOYSA-N 1 1 372.381 2.091 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278086753 550747532 /nfs/dbraw/zinc/74/75/32/550747532.db2.gz HVAICDMDWIDWAF-ZDUSSCGKSA-N 1 1 374.445 2.391 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278167904 550756734 /nfs/dbraw/zinc/75/67/34/550756734.db2.gz AUBNVYUKRKBQAT-HNNXBMFYSA-N 1 1 358.446 2.077 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CCCO1 ZINC000278216170 550761634 /nfs/dbraw/zinc/76/16/34/550761634.db2.gz RNPBDPZTAGXAEZ-LBPRGKRZSA-N 1 1 355.822 2.479 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278596080 550802383 /nfs/dbraw/zinc/80/23/83/550802383.db2.gz FHRZJUUXDFLMBS-CYBMUJFWSA-N 1 1 374.445 2.344 20 5 FEBDMO Cc1c(CC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000278905265 550834422 /nfs/dbraw/zinc/83/44/22/550834422.db2.gz SELKVASBUNLEIS-AWEZNQCLSA-N 1 1 361.442 2.157 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000279286900 550873741 /nfs/dbraw/zinc/87/37/41/550873741.db2.gz KSDAKYXSMHPBLO-SJCJKPOMSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000279324198 550877790 /nfs/dbraw/zinc/87/77/90/550877790.db2.gz OJIOSCMORWEKMC-YVEFUNNKSA-N 1 1 363.414 2.431 20 5 FEBDMO CS(=O)(=O)C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000279607195 550908019 /nfs/dbraw/zinc/90/80/19/550908019.db2.gz FESRSTXXKQZUIY-UHFFFAOYSA-N 1 1 367.452 2.385 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000279854446 550936193 /nfs/dbraw/zinc/93/61/93/550936193.db2.gz PFCOWLZGQDPSMH-BONVTDFDSA-N 1 1 355.797 2.482 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000280250229 550974434 /nfs/dbraw/zinc/97/44/34/550974434.db2.gz LBKOCEYAXGRWOP-MWLCHTKSSA-N 1 1 374.340 2.446 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000280250229 550974435 /nfs/dbraw/zinc/97/44/35/550974435.db2.gz LBKOCEYAXGRWOP-MWLCHTKSSA-N 1 1 374.340 2.446 20 5 FEBDMO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000280546102 551006224 /nfs/dbraw/zinc/00/62/24/551006224.db2.gz KPGDVECZTWNZLK-GASCZTMLSA-N 1 1 369.425 2.084 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000280546102 551006226 /nfs/dbraw/zinc/00/62/26/551006226.db2.gz KPGDVECZTWNZLK-GASCZTMLSA-N 1 1 369.425 2.084 20 5 FEBDMO CCc1[nH]nc(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000280546102 551006228 /nfs/dbraw/zinc/00/62/28/551006228.db2.gz KPGDVECZTWNZLK-GASCZTMLSA-N 1 1 369.425 2.084 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@H+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000280658490 551018563 /nfs/dbraw/zinc/01/85/63/551018563.db2.gz DSUJMWUPJQAXSG-DIFFPNOSSA-N 1 1 359.386 2.164 20 5 FEBDMO CN(CC(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390051 561500010 /nfs/dbraw/zinc/50/00/10/561500010.db2.gz YNRPBGKBNVZBDU-SJORKVTESA-N 1 1 368.437 2.245 20 5 FEBDMO COC(=O)[C@]1(C)C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000282668862 551257854 /nfs/dbraw/zinc/25/78/54/551257854.db2.gz HIRVKPNQQDUILA-PIGZYNQJSA-N 1 1 352.387 2.243 20 5 FEBDMO NC(=O)CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000283458619 551369458 /nfs/dbraw/zinc/36/94/58/551369458.db2.gz IXZPRNHKTOWRIU-UHFFFAOYSA-N 1 1 370.409 2.301 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000284412462 551543870 /nfs/dbraw/zinc/54/38/70/551543870.db2.gz NYIUPZVFPMLVEO-BDJLRTHQSA-N 1 1 362.405 2.405 20 5 FEBDMO Cc1noc([C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C2CCOCC2)n1 ZINC000498359674 561523231 /nfs/dbraw/zinc/52/32/31/561523231.db2.gz RNOXQFYOANWFOO-MRXNPFEDSA-N 1 1 362.386 2.423 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000498470024 561524935 /nfs/dbraw/zinc/52/49/35/561524935.db2.gz XHHXUFBPLOXKBG-CQSZACIVSA-N 1 1 351.451 2.261 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498557606 561528425 /nfs/dbraw/zinc/52/84/25/561528425.db2.gz WGAVEEIJWSTOPF-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000498711808 561532581 /nfs/dbraw/zinc/53/25/81/561532581.db2.gz VOFZTUBAMSTTKN-ZDUSSCGKSA-N 1 1 357.414 2.162 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc2c(c1)OCO2 ZINC000285315045 551736677 /nfs/dbraw/zinc/73/66/77/551736677.db2.gz MJKWSCUMNHCSEO-UHFFFAOYSA-N 1 1 371.393 2.114 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NCc1ccc2c(c1)OCO2 ZINC000285315045 551736680 /nfs/dbraw/zinc/73/66/80/551736680.db2.gz MJKWSCUMNHCSEO-UHFFFAOYSA-N 1 1 371.393 2.114 20 5 FEBDMO COc1ccccc1O[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000286339568 551876299 /nfs/dbraw/zinc/87/62/99/551876299.db2.gz GIHYOQUZMBJJMY-INIZCTEOSA-N 1 1 373.409 2.309 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000499464369 561551528 /nfs/dbraw/zinc/55/15/28/561551528.db2.gz NLUNSFNXQRXAAU-HUUCEWRRSA-N 1 1 371.441 2.221 20 5 FEBDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289205688 552282512 /nfs/dbraw/zinc/28/25/12/552282512.db2.gz BQCKFWCZWYHBNC-LRDDRELGSA-N 1 1 366.805 2.201 20 5 FEBDMO Cn1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000289863169 552391123 /nfs/dbraw/zinc/39/11/23/552391123.db2.gz LJQXHXMVGTXXKX-UHFFFAOYSA-N 1 1 372.166 2.223 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289590096 552345533 /nfs/dbraw/zinc/34/55/33/552345533.db2.gz PPMWYDWUPSZWRW-FHLIZLRMSA-N 1 1 362.426 2.368 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000289794001 552379941 /nfs/dbraw/zinc/37/99/41/552379941.db2.gz MUICLRUESALSTL-CQSZACIVSA-N 1 1 362.430 2.343 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000290989121 552573199 /nfs/dbraw/zinc/57/31/99/552573199.db2.gz SKEIVJQFOFTBTE-ZDUSSCGKSA-N 1 1 360.418 2.026 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292241956 552708007 /nfs/dbraw/zinc/70/80/07/552708007.db2.gz JNTBPCSMZGQZOI-KRWDZBQOSA-N 1 1 351.378 2.443 20 5 FEBDMO CC(C)[C@]1(CO)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000292930762 552772308 /nfs/dbraw/zinc/77/23/08/552772308.db2.gz CMCFFEBPQNLGEN-LJQANCHMSA-N 1 1 361.442 2.214 20 5 FEBDMO CC(C)[C@]1(CO)CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000292930762 552772309 /nfs/dbraw/zinc/77/23/09/552772309.db2.gz CMCFFEBPQNLGEN-LJQANCHMSA-N 1 1 361.442 2.214 20 5 FEBDMO CCN1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000501895554 561607609 /nfs/dbraw/zinc/60/76/09/561607609.db2.gz BJKYEEQANIQONA-INIZCTEOSA-N 1 1 372.429 2.025 20 5 FEBDMO CCN1CC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1c1ncc[nH]1 ZINC000501895554 561607610 /nfs/dbraw/zinc/60/76/10/561607610.db2.gz BJKYEEQANIQONA-INIZCTEOSA-N 1 1 372.429 2.025 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000295441709 553007511 /nfs/dbraw/zinc/00/75/11/553007511.db2.gz WTFZXXVGEIHXQK-AGUYFDCRSA-N 1 1 353.444 2.115 20 5 FEBDMO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000296405010 553154249 /nfs/dbraw/zinc/15/42/49/553154249.db2.gz UYPNGYCIYKAGQB-ZDUSSCGKSA-N 1 1 367.833 2.433 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000297697469 553326463 /nfs/dbraw/zinc/32/64/63/553326463.db2.gz LZVQOISNKWCORB-NEPJUHHUSA-N 1 1 351.378 2.441 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297733688 553331945 /nfs/dbraw/zinc/33/19/45/553331945.db2.gz CBLFOCOYPZNOHX-OAHLLOKOSA-N 1 1 362.430 2.222 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000298019019 553372193 /nfs/dbraw/zinc/37/21/93/553372193.db2.gz CZZZMMWZFBXPKA-UHFFFAOYSA-N 1 1 362.430 2.141 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000298368604 553417432 /nfs/dbraw/zinc/41/74/32/553417432.db2.gz CRSBPZTZSDSBSO-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000298458077 553427155 /nfs/dbraw/zinc/42/71/55/553427155.db2.gz HXULFAUZZAWASP-HNNXBMFYSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2c2cc[nH]n2)c([N+](=O)[O-])c1 ZINC000298458077 553427157 /nfs/dbraw/zinc/42/71/57/553427157.db2.gz HXULFAUZZAWASP-HNNXBMFYSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000299234322 553534584 /nfs/dbraw/zinc/53/45/84/553534584.db2.gz JPHYNYDOIZRTIN-IUODEOHRSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000301346636 553644096 /nfs/dbraw/zinc/64/40/96/553644096.db2.gz JZALEGNQSMPPJN-LBPRGKRZSA-N 1 1 352.391 2.082 20 5 FEBDMO C[C@@H]1C[C@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000301444606 553652174 /nfs/dbraw/zinc/65/21/74/553652174.db2.gz VEXYYXPCXGUPCG-UKRRQHHQSA-N 1 1 371.441 2.478 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc3ncc([N+](=O)[O-])n3n2)cn1 ZINC000302002492 553697170 /nfs/dbraw/zinc/69/71/70/553697170.db2.gz QYZNEZKYRQEQHU-UHFFFAOYSA-N 1 1 350.342 2.139 20 5 FEBDMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc(C(=O)NC3CC3)cc1[N+](=O)[O-])C2 ZINC000302684638 553725744 /nfs/dbraw/zinc/72/57/44/553725744.db2.gz SXZZLNZGWOURPF-AWEZNQCLSA-N 1 1 355.398 2.419 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000506055178 561688816 /nfs/dbraw/zinc/68/88/16/561688816.db2.gz BMEATYHDIBWOHN-INIZCTEOSA-N 1 1 358.446 2.119 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000506055178 561688817 /nfs/dbraw/zinc/68/88/17/561688817.db2.gz BMEATYHDIBWOHN-INIZCTEOSA-N 1 1 358.446 2.119 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000506055178 561688818 /nfs/dbraw/zinc/68/88/18/561688818.db2.gz BMEATYHDIBWOHN-INIZCTEOSA-N 1 1 358.446 2.119 20 5 FEBDMO CC1=CC[N@@H+](CCNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000506648642 561704788 /nfs/dbraw/zinc/70/47/88/561704788.db2.gz NDLBYOPPEBWGER-UHFFFAOYSA-N 1 1 355.398 2.162 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000330604478 554144483 /nfs/dbraw/zinc/14/44/83/554144483.db2.gz IWDRCPPHCUPMLS-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000330604478 554144484 /nfs/dbraw/zinc/14/44/84/554144484.db2.gz IWDRCPPHCUPMLS-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502471 554275465 /nfs/dbraw/zinc/27/54/65/554275465.db2.gz LWDITHTWCIHCMV-JOYOIKCWSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000331502471 554275467 /nfs/dbraw/zinc/27/54/67/554275467.db2.gz LWDITHTWCIHCMV-JOYOIKCWSA-N 1 1 359.835 2.009 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000332236781 554407414 /nfs/dbraw/zinc/40/74/14/554407414.db2.gz RXRYEKSLYIQBAB-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000332329941 554426679 /nfs/dbraw/zinc/42/66/79/554426679.db2.gz PETXDLDXFKSXIQ-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO Cn1nnc2cc(C[NH+]3CCN(c4cccc([N+](=O)[O-])c4)CC3)ccc21 ZINC000510493730 561836564 /nfs/dbraw/zinc/83/65/64/561836564.db2.gz WYJWNJSDQZEEQJ-UHFFFAOYSA-N 1 1 352.398 2.199 20 5 FEBDMO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000510778651 561846251 /nfs/dbraw/zinc/84/62/51/561846251.db2.gz NHNOBSMSSZUJSY-OLZOCXBDSA-N 1 1 361.851 2.198 20 5 FEBDMO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000360341233 554871913 /nfs/dbraw/zinc/87/19/13/554871913.db2.gz DJLJDBRAECIXAO-HNNXBMFYSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000360341233 554871915 /nfs/dbraw/zinc/87/19/15/554871915.db2.gz DJLJDBRAECIXAO-HNNXBMFYSA-N 1 1 365.411 2.108 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000363187804 555048916 /nfs/dbraw/zinc/04/89/16/555048916.db2.gz SGEIEQLTJRUQHT-LBPRGKRZSA-N 1 1 363.414 2.359 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000363238716 555061294 /nfs/dbraw/zinc/06/12/94/555061294.db2.gz IRCHWPDOLMPTFV-UHFFFAOYSA-N 1 1 351.378 2.061 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)cn1 ZINC000363330146 555079806 /nfs/dbraw/zinc/07/98/06/555079806.db2.gz XXRQNJFELUCELD-UHFFFAOYSA-N 1 1 356.317 2.458 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000363799480 555188658 /nfs/dbraw/zinc/18/86/58/555188658.db2.gz ZAKYRYHSNGEAQF-ZDUSSCGKSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1nc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000364376529 555302286 /nfs/dbraw/zinc/30/22/86/555302286.db2.gz KBSJNHWWWXJQOO-UHFFFAOYSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1nnc(C2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000364376529 555302288 /nfs/dbraw/zinc/30/22/88/555302288.db2.gz KBSJNHWWWXJQOO-UHFFFAOYSA-N 1 1 358.402 2.230 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c([N+](=O)[O-])cc1OC ZINC000364654232 555363826 /nfs/dbraw/zinc/36/38/26/555363826.db2.gz MVWQZMSXJHBEJH-GOSISDBHSA-N 1 1 363.414 2.056 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000364743352 555391779 /nfs/dbraw/zinc/39/17/79/555391779.db2.gz QBJYTMYGULOYLJ-SJORKVTESA-N 1 1 360.414 2.086 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@H](COC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000512816051 561916603 /nfs/dbraw/zinc/91/66/03/561916603.db2.gz FKTAXQRNEAYRRZ-SMDDNHRTSA-N 1 1 355.341 2.261 20 5 FEBDMO O=C1[C@H]([N@H+]2CC[C@H](COC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000512816051 561916605 /nfs/dbraw/zinc/91/66/05/561916605.db2.gz FKTAXQRNEAYRRZ-SMDDNHRTSA-N 1 1 355.341 2.261 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000512821316 561916783 /nfs/dbraw/zinc/91/67/83/561916783.db2.gz BHFXDSXCOOMYQB-NSHDSACASA-N 1 1 373.356 2.493 20 5 FEBDMO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n(C)c1C ZINC000366056132 555738559 /nfs/dbraw/zinc/73/85/59/555738559.db2.gz DRIDROMHMWMTIP-CYBMUJFWSA-N 1 1 361.402 2.062 20 5 FEBDMO COC(=O)c1cc(C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)n(C)c1C ZINC000366056132 555738564 /nfs/dbraw/zinc/73/85/64/555738564.db2.gz DRIDROMHMWMTIP-CYBMUJFWSA-N 1 1 361.402 2.062 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000513696669 561946931 /nfs/dbraw/zinc/94/69/31/561946931.db2.gz BZICIUPEBKCWSP-IAGOWNOFSA-N 1 1 360.414 2.203 20 5 FEBDMO O=C1NC(=O)[C@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]12 ZINC000366482907 555856742 /nfs/dbraw/zinc/85/67/42/555856742.db2.gz OQJWCRRHJNRSLE-GJZGRUSLSA-N 1 1 371.418 2.418 20 5 FEBDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000366550741 555874243 /nfs/dbraw/zinc/87/42/43/555874243.db2.gz GOTPVQSZXDLRHX-ZIAGYGMSSA-N 1 1 365.434 2.123 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000368054313 556205271 /nfs/dbraw/zinc/20/52/71/556205271.db2.gz KHGCMDAYMQCWBA-SFHVURJKSA-N 1 1 365.430 2.272 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000368054313 556205272 /nfs/dbraw/zinc/20/52/72/556205272.db2.gz KHGCMDAYMQCWBA-SFHVURJKSA-N 1 1 365.430 2.272 20 5 FEBDMO C[NH+]1CCN(C[C@@H]2CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000368561418 556346222 /nfs/dbraw/zinc/34/62/22/556346222.db2.gz KHDWWVKTNLNWKZ-ZDUSSCGKSA-N 1 1 353.854 2.107 20 5 FEBDMO CCN(C(=O)c1nn(C)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368847642 556428509 /nfs/dbraw/zinc/42/85/09/556428509.db2.gz YVOJBAKOJYNOPT-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO COC(=O)c1cnc(N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000368974095 556464190 /nfs/dbraw/zinc/46/41/90/556464190.db2.gz NVEJZVCFIATMDD-AWEZNQCLSA-N 1 1 374.441 2.477 20 5 FEBDMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017830 556477357 /nfs/dbraw/zinc/47/73/57/556477357.db2.gz JBPSBTNQQBFLJH-NVXWUHKLSA-N 1 1 371.441 2.475 20 5 FEBDMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017830 556477359 /nfs/dbraw/zinc/47/73/59/556477359.db2.gz JBPSBTNQQBFLJH-NVXWUHKLSA-N 1 1 371.441 2.475 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H](O)COCc3cccs3)C2)c1 ZINC000369020330 556478837 /nfs/dbraw/zinc/47/88/37/556478837.db2.gz WQRMFNICTULHIP-HIFRSBDPSA-N 1 1 366.443 2.067 20 5 FEBDMO C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@](=O)C1 ZINC000369367092 556581504 /nfs/dbraw/zinc/58/15/04/556581504.db2.gz VZSBKPOPIBTIQR-YMXBGEKHSA-N 1 1 363.439 2.493 20 5 FEBDMO C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC[S@@](=O)C1 ZINC000369367092 556581506 /nfs/dbraw/zinc/58/15/06/556581506.db2.gz VZSBKPOPIBTIQR-YMXBGEKHSA-N 1 1 363.439 2.493 20 5 FEBDMO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](C2CCOCC2)CC1 ZINC000369551155 556628761 /nfs/dbraw/zinc/62/87/61/556628761.db2.gz RNUKEETZDYFFOM-AATRIKPKSA-N 1 1 359.426 2.321 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000370908244 557010826 /nfs/dbraw/zinc/01/08/26/557010826.db2.gz AOXKPKCGJLQMDQ-KSSFIOAISA-N 1 1 371.441 2.450 20 5 FEBDMO C[C@H](C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000371784763 557292756 /nfs/dbraw/zinc/29/27/56/557292756.db2.gz VBELZKPCNYBEQG-QEJZJMRPSA-N 1 1 365.405 2.207 20 5 FEBDMO C[C@H](C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000371784763 557292759 /nfs/dbraw/zinc/29/27/59/557292759.db2.gz VBELZKPCNYBEQG-QEJZJMRPSA-N 1 1 365.405 2.207 20 5 FEBDMO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000372170381 557398981 /nfs/dbraw/zinc/39/89/81/557398981.db2.gz RLAQMPOWSVALHE-GJZGRUSLSA-N 1 1 358.398 2.107 20 5 FEBDMO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000372170381 557398983 /nfs/dbraw/zinc/39/89/83/557398983.db2.gz RLAQMPOWSVALHE-GJZGRUSLSA-N 1 1 358.398 2.107 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)c1 ZINC000372332691 557442655 /nfs/dbraw/zinc/44/26/55/557442655.db2.gz TYAYBUVJWWJOJW-CYBMUJFWSA-N 1 1 361.358 2.415 20 5 FEBDMO CC(C)[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000519194410 562126949 /nfs/dbraw/zinc/12/69/49/562126949.db2.gz PSYHEERWZHSDIE-IIDMSEBBSA-N 1 1 363.458 2.387 20 5 FEBDMO CN1C[C@@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1=O ZINC000519759058 562142696 /nfs/dbraw/zinc/14/26/96/562142696.db2.gz MWPHEMJOJBBJRD-HNNXBMFYSA-N 1 1 358.398 2.345 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000555865939 674379321 /nfs/dbraw/zinc/37/93/21/674379321.db2.gz AZAGYAPZEXEIPF-SNVBAGLBSA-N 1 1 356.220 2.490 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000373083295 557624591 /nfs/dbraw/zinc/62/45/91/557624591.db2.gz ZUIWJKLGHYUGMT-OAHLLOKOSA-N 1 1 366.849 2.475 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000521180530 562170996 /nfs/dbraw/zinc/17/09/96/562170996.db2.gz HMCROVMITRXETH-AWEZNQCLSA-N 1 1 357.414 2.005 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000375010346 557963866 /nfs/dbraw/zinc/96/38/66/557963866.db2.gz APZYLWIHIHNSGP-LZLYRXPVSA-N 1 1 364.442 2.473 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)c3cc(F)ccc3F)C2)c1 ZINC000375406063 558021756 /nfs/dbraw/zinc/02/17/56/558021756.db2.gz UFDGJOBVDCISBF-BLLLJJGKSA-N 1 1 352.341 2.440 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H](O)c3cc(F)ccc3F)C2)c1 ZINC000375406063 558021757 /nfs/dbraw/zinc/02/17/57/558021757.db2.gz UFDGJOBVDCISBF-BLLLJJGKSA-N 1 1 352.341 2.440 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCCC[C@H]3Cn3ccnn3)o2)cc1 ZINC000375828797 558086106 /nfs/dbraw/zinc/08/61/06/558086106.db2.gz DDHGGCJGQSDWCR-HNNXBMFYSA-N 1 1 369.385 2.291 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC[C@H]3Cn3ccnn3)o2)cc1 ZINC000375828797 558086107 /nfs/dbraw/zinc/08/61/07/558086107.db2.gz DDHGGCJGQSDWCR-HNNXBMFYSA-N 1 1 369.385 2.291 20 5 FEBDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000377119641 558269978 /nfs/dbraw/zinc/26/99/78/558269978.db2.gz KPNBSEOQPWFNOQ-KBRIMQKVSA-N 1 1 363.414 2.192 20 5 FEBDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1ccc([N+](=O)[O-])n1 ZINC000377236928 558295695 /nfs/dbraw/zinc/29/56/95/558295695.db2.gz GVNFYMCAYGQEPZ-BTTYYORXSA-N 1 1 365.434 2.311 20 5 FEBDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3cccc([N+](=O)[O-])c3N)CC2)on1 ZINC000377316666 558313855 /nfs/dbraw/zinc/31/38/55/558313855.db2.gz KGZJCQLYRBTQNU-UHFFFAOYSA-N 1 1 373.413 2.210 20 5 FEBDMO C[C@@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1)[NH+]1CCOCC1 ZINC000522067581 562190743 /nfs/dbraw/zinc/19/07/43/562190743.db2.gz GCNDRBIQTQSARK-LBPRGKRZSA-N 1 1 372.381 2.341 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000377780532 558418413 /nfs/dbraw/zinc/41/84/13/558418413.db2.gz QKBJINJBGPZVOV-CQSZACIVSA-N 1 1 373.413 2.384 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cc([N+](=O)[O-])cc(F)c3F)CC2)CCO1 ZINC000377842221 558433549 /nfs/dbraw/zinc/43/35/49/558433549.db2.gz CDFOFQDCAMBVKC-NSHDSACASA-N 1 1 369.368 2.198 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000378306328 558525118 /nfs/dbraw/zinc/52/51/18/558525118.db2.gz AFQCLMBRWMCOPA-DZGCQCFKSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000378306328 558525119 /nfs/dbraw/zinc/52/51/19/558525119.db2.gz AFQCLMBRWMCOPA-DZGCQCFKSA-N 1 1 353.806 2.231 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000408171762 558653325 /nfs/dbraw/zinc/65/33/25/558653325.db2.gz NLZSFVBJNFBCHI-SJPCQFCGSA-N 1 1 359.474 2.354 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000411403194 558888698 /nfs/dbraw/zinc/88/86/98/558888698.db2.gz VVFYAEHDYNFMIZ-OAHLLOKOSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCc2c(cnn2C)C1 ZINC000411856899 558977346 /nfs/dbraw/zinc/97/73/46/558977346.db2.gz RXAMURBGPLHBMK-UHFFFAOYSA-N 1 1 373.413 2.114 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000411875857 558980599 /nfs/dbraw/zinc/98/05/99/558980599.db2.gz PIBJFSCMWQKBSM-OAHLLOKOSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CCN(C(C)C)C1 ZINC000411875857 558980600 /nfs/dbraw/zinc/98/06/00/558980600.db2.gz PIBJFSCMWQKBSM-OAHLLOKOSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCN(C(C)C)C1 ZINC000411875857 558980601 /nfs/dbraw/zinc/98/06/01/558980601.db2.gz PIBJFSCMWQKBSM-OAHLLOKOSA-N 1 1 364.446 2.347 20 5 FEBDMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000411960454 558995529 /nfs/dbraw/zinc/99/55/29/558995529.db2.gz YUNNWKAKLQTJJX-PKOBYXMFSA-N 1 1 367.405 2.292 20 5 FEBDMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000411960454 558995530 /nfs/dbraw/zinc/99/55/30/558995530.db2.gz YUNNWKAKLQTJJX-PKOBYXMFSA-N 1 1 367.405 2.292 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000412003517 559001492 /nfs/dbraw/zinc/00/14/92/559001492.db2.gz XGAXMCKDUZMGPV-QZTJIDSGSA-N 1 1 372.425 2.006 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1F ZINC000412186462 559019092 /nfs/dbraw/zinc/01/90/92/559019092.db2.gz SCFFZJLZGGYJEP-YPMHNXCESA-N 1 1 353.394 2.130 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412270690 559023980 /nfs/dbraw/zinc/02/39/80/559023980.db2.gz PDBQFWVKPAXDAO-RRQGHBQHSA-N 1 1 361.442 2.002 20 5 FEBDMO C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413154601 559083657 /nfs/dbraw/zinc/08/36/57/559083657.db2.gz KKDYGEDDFIKUKD-CYBMUJFWSA-N 1 1 360.393 2.147 20 5 FEBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)O ZINC000570130949 568453085 /nfs/dbraw/zinc/45/30/85/568453085.db2.gz YLVOBCZTJWUFNV-UHFFFAOYSA-N 1 1 364.183 2.402 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000416561428 559321970 /nfs/dbraw/zinc/32/19/70/559321970.db2.gz ULBQLFYJVXVGIO-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402122 559485839 /nfs/dbraw/zinc/48/58/39/559485839.db2.gz QGGKEEZZYOLKRN-GDBMZVCRSA-N 1 1 374.441 2.357 20 5 FEBDMO [NH3+]C[C@@H]1CC[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420460980 559488617 /nfs/dbraw/zinc/48/86/17/559488617.db2.gz SXNFSXGXCOISLO-APPZFPTMSA-N 1 1 368.242 2.307 20 5 FEBDMO CCN1CCC([N@@H+]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422011506 559560567 /nfs/dbraw/zinc/56/05/67/559560567.db2.gz UQHSCGZULJPFLD-UHFFFAOYSA-N 1 1 374.485 2.156 20 5 FEBDMO CCN1CCC([N@H+]2CCCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000422011506 559560568 /nfs/dbraw/zinc/56/05/68/559560568.db2.gz UQHSCGZULJPFLD-UHFFFAOYSA-N 1 1 374.485 2.156 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000425430184 559702048 /nfs/dbraw/zinc/70/20/48/559702048.db2.gz DMXMRRJYNUZCKL-RYUDHWBXSA-N 1 1 372.263 2.244 20 5 FEBDMO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)CN1 ZINC000425465908 559703558 /nfs/dbraw/zinc/70/35/58/559703558.db2.gz AMNHCFZNZTUYIL-AWEZNQCLSA-N 1 1 354.204 2.069 20 5 FEBDMO O=C1C[C@@]2(CC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)CN1 ZINC000425465908 559703559 /nfs/dbraw/zinc/70/35/59/559703559.db2.gz AMNHCFZNZTUYIL-AWEZNQCLSA-N 1 1 354.204 2.069 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCS[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000426371885 559733635 /nfs/dbraw/zinc/73/36/35/559733635.db2.gz NATJJTHGRGXKFQ-GFCCVEGCSA-N 1 1 354.428 2.474 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000427373667 559754345 /nfs/dbraw/zinc/75/43/45/559754345.db2.gz BRBYUBIFYUBSTP-ZBFHGGJFSA-N 1 1 371.441 2.452 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000428862249 559785177 /nfs/dbraw/zinc/78/51/77/559785177.db2.gz TUVNGAQYNPMYBD-ACJLOTCBSA-N 1 1 370.409 2.089 20 5 FEBDMO CC(C)([NH2+]CC(=O)NC(=O)NCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429237235 559793597 /nfs/dbraw/zinc/79/35/97/559793597.db2.gz NNIAZZJDFJXRTC-UHFFFAOYSA-N 1 1 370.409 2.446 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429402141 559797907 /nfs/dbraw/zinc/79/79/07/559797907.db2.gz NDAULPQBAIIVNN-KCXAZCMYSA-N 1 1 363.414 2.441 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433066651 559871025 /nfs/dbraw/zinc/87/10/25/559871025.db2.gz KKYFCJPDEQONCW-RDTXWAMCSA-N 1 1 357.410 2.457 20 5 FEBDMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc([N+](=O)[O-])c1 ZINC000440502130 560012604 /nfs/dbraw/zinc/01/26/04/560012604.db2.gz GMWNDIDVMXYEJZ-FQEVSTJZSA-N 1 1 369.421 2.270 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000440522393 560013508 /nfs/dbraw/zinc/01/35/08/560013508.db2.gz ZFGRYBUDZVNPPI-FQEVSTJZSA-N 1 1 369.421 2.270 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000441201021 560026038 /nfs/dbraw/zinc/02/60/38/560026038.db2.gz DCJXMMFMINYOHJ-RVKKMQEKSA-N 1 1 359.426 2.449 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441203439 560026173 /nfs/dbraw/zinc/02/61/73/560026173.db2.gz GQIGYGFHKAAZAI-KGLIPLIRSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441203439 560026174 /nfs/dbraw/zinc/02/61/74/560026174.db2.gz GQIGYGFHKAAZAI-KGLIPLIRSA-N 1 1 363.414 2.290 20 5 FEBDMO C[NH+](C)[C@@H](C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000444628748 560117248 /nfs/dbraw/zinc/11/72/48/560117248.db2.gz DRIYLWXXUBWJPE-QGZVFWFLSA-N 1 1 353.382 2.390 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCc2ncsc2C1 ZINC000445864708 560135789 /nfs/dbraw/zinc/13/57/89/560135789.db2.gz XTOUPOPSDOSGGB-UHFFFAOYSA-N 1 1 360.395 2.408 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CCc2ncsc2C1 ZINC000445864708 560135790 /nfs/dbraw/zinc/13/57/90/560135790.db2.gz XTOUPOPSDOSGGB-UHFFFAOYSA-N 1 1 360.395 2.408 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000446336020 560144444 /nfs/dbraw/zinc/14/44/44/560144444.db2.gz CSYUOEWDKDPUEE-LBPRGKRZSA-N 1 1 355.822 2.085 20 5 FEBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000447245795 560158648 /nfs/dbraw/zinc/15/86/48/560158648.db2.gz NXJLHUSPZFBOQK-APPZFPTMSA-N 1 1 368.242 2.320 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000447799811 560169268 /nfs/dbraw/zinc/16/92/68/560169268.db2.gz MGMOPNVXWBVTRV-LLVKDONJSA-N 1 1 371.821 2.415 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448726843 560196630 /nfs/dbraw/zinc/19/66/30/560196630.db2.gz VGXFBQYRPPQKHP-LSDHHAIUSA-N 1 1 355.398 2.137 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449130491 560217178 /nfs/dbraw/zinc/21/71/78/560217178.db2.gz GUHIMMPOBKTTPB-UHFFFAOYSA-N 1 1 350.396 2.297 20 5 FEBDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000449523601 560232579 /nfs/dbraw/zinc/23/25/79/560232579.db2.gz NVTURWVWYSSYPC-BETUJISGSA-N 1 1 357.391 2.028 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449527782 560232843 /nfs/dbraw/zinc/23/28/43/560232843.db2.gz KXZPHFNOBYDARP-HNNXBMFYSA-N 1 1 366.439 2.474 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449527782 560232844 /nfs/dbraw/zinc/23/28/44/560232844.db2.gz KXZPHFNOBYDARP-HNNXBMFYSA-N 1 1 366.439 2.474 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+]C(C)(C)CN2CCCC2)cc1[N+](=O)[O-] ZINC000449779545 560239799 /nfs/dbraw/zinc/23/97/99/560239799.db2.gz XWBXTFAMKYEZEV-UHFFFAOYSA-N 1 1 365.430 2.111 20 5 FEBDMO COC(=O)Cc1ccc(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c([N+](=O)[O-])c1 ZINC000450223034 560254474 /nfs/dbraw/zinc/25/44/74/560254474.db2.gz ITHZLKPBYDQLLO-OAHLLOKOSA-N 1 1 365.430 2.079 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000450316002 560258238 /nfs/dbraw/zinc/25/82/38/560258238.db2.gz YCTQAGSDVTXIQV-OLZOCXBDSA-N 1 1 360.414 2.095 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCC([N@@H+](C)CCO)CC1 ZINC000450316775 560258303 /nfs/dbraw/zinc/25/83/03/560258303.db2.gz GBMFULNWVLHFJB-UHFFFAOYSA-N 1 1 360.414 2.045 20 5 FEBDMO C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+](C2CC2)C1 ZINC000451093173 560286685 /nfs/dbraw/zinc/28/66/85/560286685.db2.gz NFQXIBXNBKUBRZ-KDOFPFPSSA-N 1 1 358.442 2.116 20 5 FEBDMO COC[C@]1(C(=O)OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000451330585 560300753 /nfs/dbraw/zinc/30/07/53/560300753.db2.gz PYRJGHDYMBUDAW-SFHVURJKSA-N 1 1 366.414 2.394 20 5 FEBDMO O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451335599 560301067 /nfs/dbraw/zinc/30/10/67/560301067.db2.gz DEHZQZPQZRHRSJ-QXAKKESOSA-N 1 1 373.453 2.499 20 5 FEBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](C[C@H](O)COC3CCOCC3)C2)cc1 ZINC000451543482 560313631 /nfs/dbraw/zinc/31/36/31/560313631.db2.gz BYYMXQVWZADCLI-WMZOPIPTSA-N 1 1 364.442 2.331 20 5 FEBDMO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000452034823 560346975 /nfs/dbraw/zinc/34/69/75/560346975.db2.gz URFLZNHFANNCSJ-UHFFFAOYSA-N 1 1 374.363 2.492 20 5 FEBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000452348712 560359025 /nfs/dbraw/zinc/35/90/25/560359025.db2.gz LQIITRITGPGMHQ-CQSZACIVSA-N 1 1 363.439 2.386 20 5 FEBDMO CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452849542 560376165 /nfs/dbraw/zinc/37/61/65/560376165.db2.gz LPBWDVOAMPTBLT-FUHWJXTLSA-N 1 1 361.442 2.410 20 5 FEBDMO CC(C)[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000452849542 560376166 /nfs/dbraw/zinc/37/61/66/560376166.db2.gz LPBWDVOAMPTBLT-FUHWJXTLSA-N 1 1 361.442 2.410 20 5 FEBDMO CNc1nc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000456013780 560504504 /nfs/dbraw/zinc/50/45/04/560504504.db2.gz VWIWIXVGDKODJK-OLZOCXBDSA-N 1 1 361.446 2.414 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456361164 560517399 /nfs/dbraw/zinc/51/73/99/560517399.db2.gz VRTBSNGUMKLVMM-AWEZNQCLSA-N 1 1 357.414 2.337 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000456361164 560517400 /nfs/dbraw/zinc/51/74/00/560517400.db2.gz VRTBSNGUMKLVMM-AWEZNQCLSA-N 1 1 357.414 2.337 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000456891436 560535917 /nfs/dbraw/zinc/53/59/17/560535917.db2.gz FHPBFNZTYUHSQX-UHFFFAOYSA-N 1 1 373.457 2.222 20 5 FEBDMO COc1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc([N+](=O)[O-])c1OC ZINC000456980671 560542037 /nfs/dbraw/zinc/54/20/37/560542037.db2.gz DOGATACNKIPCQG-OAHLLOKOSA-N 1 1 371.393 2.399 20 5 FEBDMO CC[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000458514625 560628778 /nfs/dbraw/zinc/62/87/78/560628778.db2.gz RDSLLUHZOHEBQD-IRXDYDNUSA-N 1 1 364.446 2.192 20 5 FEBDMO O=c1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C2CC2)[nH]1 ZINC000459386746 560683796 /nfs/dbraw/zinc/68/37/96/560683796.db2.gz YIUDZYRXXKYAOR-GFCCVEGCSA-N 1 1 356.386 2.049 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459655419 560700533 /nfs/dbraw/zinc/70/05/33/560700533.db2.gz DEOTVGPDJFVPPO-GDBMZVCRSA-N 1 1 373.409 2.394 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c1 ZINC000459668758 560701104 /nfs/dbraw/zinc/70/11/04/560701104.db2.gz TWOMDLHEYRFUQK-CYBMUJFWSA-N 1 1 362.352 2.472 20 5 FEBDMO COc1cc(C(=O)NCCNc2cccc(C)[nH+]2)c([N+](=O)[O-])cc1OC ZINC000461565491 560775545 /nfs/dbraw/zinc/77/55/45/560775545.db2.gz KCOLIRWPYBGEEE-UHFFFAOYSA-N 1 1 360.370 2.157 20 5 FEBDMO O=C1C[C@]2(CN1)CCC[N@H+](CCc1ncc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000464799631 560851731 /nfs/dbraw/zinc/85/17/31/560851731.db2.gz QTHCUZYJQODEOY-IBGZPJMESA-N 1 1 370.409 2.394 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000468686657 560936129 /nfs/dbraw/zinc/93/61/29/560936129.db2.gz WIJSSZKXJUNTJU-UHFFFAOYSA-N 1 1 350.419 2.099 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000470173731 560976071 /nfs/dbraw/zinc/97/60/71/560976071.db2.gz NFEFGKZBVVJADP-NRMGUKERSA-N 1 1 372.469 2.237 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470913205 560993852 /nfs/dbraw/zinc/99/38/52/560993852.db2.gz MSIQUWWJCSERIK-SJCJKPOMSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470913205 560993853 /nfs/dbraw/zinc/99/38/53/560993853.db2.gz MSIQUWWJCSERIK-SJCJKPOMSA-N 1 1 351.403 2.431 20 5 FEBDMO C[N@H+](CCCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000472189646 561020569 /nfs/dbraw/zinc/02/05/69/561020569.db2.gz MYGNONFRMSCCRL-UHFFFAOYSA-N 1 1 360.208 2.000 20 5 FEBDMO C[N@@H+](CCCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000472189646 561020570 /nfs/dbraw/zinc/02/05/70/561020570.db2.gz MYGNONFRMSCCRL-UHFFFAOYSA-N 1 1 360.208 2.000 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+]CC2(N(C)C)CCCC2)cc1[N+](=O)[O-] ZINC000474344591 561071769 /nfs/dbraw/zinc/07/17/69/561071769.db2.gz KLFBLCRZSXSEAZ-UHFFFAOYSA-N 1 1 365.430 2.111 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000474583922 561077500 /nfs/dbraw/zinc/07/75/00/561077500.db2.gz RRUBNUZSQDTRJT-CQSZACIVSA-N 1 1 355.460 2.363 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+](C)Cc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000475687429 561102247 /nfs/dbraw/zinc/10/22/47/561102247.db2.gz COLZKJQZTKFULQ-UHFFFAOYSA-N 1 1 359.382 2.482 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000475687429 561102248 /nfs/dbraw/zinc/10/22/48/561102248.db2.gz COLZKJQZTKFULQ-UHFFFAOYSA-N 1 1 359.382 2.482 20 5 FEBDMO COc1cccc([C@@H](C)[NH+]2CCN(Cc3c([N+](=O)[O-])ncn3C)CC2)c1 ZINC000475874499 561107054 /nfs/dbraw/zinc/10/70/54/561107054.db2.gz DKRSFJIBAUVPAS-CQSZACIVSA-N 1 1 359.430 2.216 20 5 FEBDMO C[C@H](NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc([N+](=O)[O-])c1 ZINC000530813539 562424718 /nfs/dbraw/zinc/42/47/18/562424718.db2.gz ZKGDHDXPFWUCOK-MGPUTAFESA-N 1 1 369.421 2.409 20 5 FEBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000532392670 562476299 /nfs/dbraw/zinc/47/62/99/562476299.db2.gz WUBFTBAMYYSSON-KDOFPFPSSA-N 1 1 370.409 2.009 20 5 FEBDMO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000532392670 562476300 /nfs/dbraw/zinc/47/63/00/562476300.db2.gz WUBFTBAMYYSSON-KDOFPFPSSA-N 1 1 370.409 2.009 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000533467879 562509893 /nfs/dbraw/zinc/50/98/93/562509893.db2.gz YWGHONURGWFYPA-UHFFFAOYSA-N 1 1 361.402 2.210 20 5 FEBDMO CC(=O)Nc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000534336729 562532024 /nfs/dbraw/zinc/53/20/24/562532024.db2.gz OUMFYAGAIHZRGE-UHFFFAOYSA-N 1 1 355.398 2.270 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000536530459 562577928 /nfs/dbraw/zinc/57/79/28/562577928.db2.gz VXLUOFWAWRZKBK-UHFFFAOYSA-N 1 1 354.370 2.106 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000807394195 674414424 /nfs/dbraw/zinc/41/44/24/674414424.db2.gz CPUOOEZZQOUGGO-LBPRGKRZSA-N 1 1 368.821 2.177 20 5 FEBDMO C[N@@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809810975 674511512 /nfs/dbraw/zinc/51/15/12/674511512.db2.gz UYHPUGASIKPUDJ-QMMMGPOBSA-N 1 1 368.242 2.274 20 5 FEBDMO C[N@H+]1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809810975 674511513 /nfs/dbraw/zinc/51/15/13/674511513.db2.gz UYHPUGASIKPUDJ-QMMMGPOBSA-N 1 1 368.242 2.274 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000811599537 674615955 /nfs/dbraw/zinc/61/59/55/674615955.db2.gz SHMQNMADQODXGB-SNVBAGLBSA-N 1 1 351.432 2.450 20 5 FEBDMO C[C@](O)(CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000561214295 674647318 /nfs/dbraw/zinc/64/73/18/674647318.db2.gz XLIIOXDSRZODPF-AWEZNQCLSA-N 1 1 364.229 2.397 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@H+](Cc3ccc(Cl)c(F)c3)C[C@@H]2C1 ZINC001048814709 675015545 /nfs/dbraw/zinc/01/55/45/675015545.db2.gz YYJOOKCMVALZTP-OQMKEHIESA-N 1 1 367.808 2.035 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816945546 675089471 /nfs/dbraw/zinc/08/94/71/675089471.db2.gz JHEHUVOZTJFKOT-ZDUSSCGKSA-N 1 1 368.865 2.252 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000816950190 675089806 /nfs/dbraw/zinc/08/98/06/675089806.db2.gz MZKFCBOCARPTIF-QPUJVOFHSA-N 1 1 372.194 2.273 20 5 FEBDMO Cc1c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000057703518 670370818 /nfs/dbraw/zinc/37/08/18/670370818.db2.gz ZUQFGCFQEXXMQZ-VIFPVBQESA-N 1 1 350.375 2.332 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000060962145 670391235 /nfs/dbraw/zinc/39/12/35/670391235.db2.gz PFALHSVSIUEMRD-LBPRGKRZSA-N 1 1 350.375 2.497 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000817150141 675105729 /nfs/dbraw/zinc/10/57/29/675105729.db2.gz IVMKIDHOBVLJNS-NSHDSACASA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000104927910 670797512 /nfs/dbraw/zinc/79/75/12/670797512.db2.gz UEUJQDHXWFOYIB-UHFFFAOYSA-N 1 1 350.375 2.416 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000113198183 670881022 /nfs/dbraw/zinc/88/10/22/670881022.db2.gz FBBAXGBJRAKIEC-CYBMUJFWSA-N 1 1 353.394 2.493 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000572401825 670997809 /nfs/dbraw/zinc/99/78/09/670997809.db2.gz JQZUQZCVDGNREO-UONOGXRCSA-N 1 1 367.471 2.450 20 5 FEBDMO CC(C)[N@@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457788 671370102 /nfs/dbraw/zinc/37/01/02/671370102.db2.gz RNUJHHIMANIWSI-NVXWUHKLSA-N 1 1 351.447 2.045 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000576457788 671370105 /nfs/dbraw/zinc/37/01/05/671370105.db2.gz RNUJHHIMANIWSI-NVXWUHKLSA-N 1 1 351.447 2.045 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)c1C ZINC000609199136 675913857 /nfs/dbraw/zinc/91/38/57/675913857.db2.gz FHADVUKYMRUVNB-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO CC(C)(CNC[C@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000578187149 671646859 /nfs/dbraw/zinc/64/68/59/671646859.db2.gz RDRYOEKKNLIOGX-INIZCTEOSA-N 1 1 351.447 2.046 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CC)C[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000609631624 675930019 /nfs/dbraw/zinc/93/00/19/675930019.db2.gz HGCIAKZGIRBXGK-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000579464463 671737759 /nfs/dbraw/zinc/73/77/59/671737759.db2.gz SUVQPJOQUHLMCT-KWQFWETISA-N 1 1 363.748 2.081 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000580043163 671778594 /nfs/dbraw/zinc/77/85/94/671778594.db2.gz XBXIFRTWJDIXDX-CQSZACIVSA-N 1 1 350.419 2.099 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000610135188 675956225 /nfs/dbraw/zinc/95/62/25/675956225.db2.gz MEDREMDZTAJSRN-NEPJUHHUSA-N 1 1 359.423 2.227 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122440856 671966582 /nfs/dbraw/zinc/96/65/82/671966582.db2.gz NXTPIQJQADRRPU-OKILXGFUSA-N 1 1 367.471 2.255 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122440856 671966584 /nfs/dbraw/zinc/96/65/84/671966584.db2.gz NXTPIQJQADRRPU-OKILXGFUSA-N 1 1 367.471 2.255 20 5 FEBDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)s1 ZINC000582306428 671988347 /nfs/dbraw/zinc/98/83/47/671988347.db2.gz ORDCLHQQJNVRES-GFCCVEGCSA-N 1 1 363.443 2.282 20 5 FEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000126303886 672023069 /nfs/dbraw/zinc/02/30/69/672023069.db2.gz KEFUSHAQIRGDAK-ONGXEEELSA-N 1 1 359.835 2.152 20 5 FEBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000126303886 672023072 /nfs/dbraw/zinc/02/30/72/672023072.db2.gz KEFUSHAQIRGDAK-ONGXEEELSA-N 1 1 359.835 2.152 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000133493830 672111707 /nfs/dbraw/zinc/11/17/07/672111707.db2.gz GGSJYJKNSJZAPM-LBPRGKRZSA-N 1 1 359.423 2.053 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000584581725 672201970 /nfs/dbraw/zinc/20/19/70/672201970.db2.gz WLEJKAKYWLVARR-OIISXLGYSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000584581725 672201972 /nfs/dbraw/zinc/20/19/72/672201972.db2.gz WLEJKAKYWLVARR-OIISXLGYSA-N 1 1 350.415 2.226 20 5 FEBDMO COCC[N@@H+](CC(C)C)CN1CCN(c2ccccc2[N+](=O)[O-])C1=O ZINC000154679983 672220610 /nfs/dbraw/zinc/22/06/10/672220610.db2.gz WUFCQEIUTKKZLM-UHFFFAOYSA-N 1 1 350.419 2.399 20 5 FEBDMO C[N@H+]1CCCN(CCCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000610769814 675995519 /nfs/dbraw/zinc/99/55/19/675995519.db2.gz BOLSDQMSYOGJST-UHFFFAOYSA-N 1 1 372.267 2.192 20 5 FEBDMO CN1CCC[N@H+](CCCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000610769814 675995521 /nfs/dbraw/zinc/99/55/21/675995521.db2.gz BOLSDQMSYOGJST-UHFFFAOYSA-N 1 1 372.267 2.192 20 5 FEBDMO CN1CCC[N@@H+](CCCNc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000610769814 675995523 /nfs/dbraw/zinc/99/55/23/675995523.db2.gz BOLSDQMSYOGJST-UHFFFAOYSA-N 1 1 372.267 2.192 20 5 FEBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]([N@H+]2CC[C@H](O)C2)C1 ZINC000588863076 672486824 /nfs/dbraw/zinc/48/68/24/672486824.db2.gz OWAJLWLANPWZAZ-KBPBESRZSA-N 1 1 361.423 2.091 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000590442732 672582883 /nfs/dbraw/zinc/58/28/83/672582883.db2.gz GUXMFSXNBNVGEV-WDMOLILDSA-N 1 1 353.806 2.178 20 5 FEBDMO CCc1ccc(S(=O)(=O)NCCCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000592035506 672738290 /nfs/dbraw/zinc/73/82/90/672738290.db2.gz AIPRMHRENJLYGH-UHFFFAOYSA-N 1 1 366.443 2.421 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000194346697 672757172 /nfs/dbraw/zinc/75/71/72/672757172.db2.gz ZCBGECBOMSRHHF-BETUJISGSA-N 1 1 373.450 2.380 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000594017107 673021409 /nfs/dbraw/zinc/02/14/09/673021409.db2.gz QVXMLJOGNBUNNS-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000594017107 673021412 /nfs/dbraw/zinc/02/14/12/673021412.db2.gz QVXMLJOGNBUNNS-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594591195 673103548 /nfs/dbraw/zinc/10/35/48/673103548.db2.gz HALPVYSJQCYSSF-RWMBFGLXSA-N 1 1 351.403 2.291 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594591195 673103554 /nfs/dbraw/zinc/10/35/54/673103554.db2.gz HALPVYSJQCYSSF-RWMBFGLXSA-N 1 1 351.403 2.291 20 5 FEBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594778214 673138968 /nfs/dbraw/zinc/13/89/68/673138968.db2.gz FADLHSVMKNWOCR-LBPRGKRZSA-N 1 1 366.443 2.150 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000594787687 673142052 /nfs/dbraw/zinc/14/20/52/673142052.db2.gz CBAMGONBTHFZLN-ZDUSSCGKSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793082 673145046 /nfs/dbraw/zinc/14/50/46/673145046.db2.gz UOGGYYSFXOXNKQ-NSHDSACASA-N 1 1 361.489 2.363 20 5 FEBDMO NC(=O)CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000727158509 673158468 /nfs/dbraw/zinc/15/84/68/673158468.db2.gz SPVSUXXXPOYVKQ-LLVKDONJSA-N 1 1 368.821 2.164 20 5 FEBDMO NC(=O)CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000727158509 673158472 /nfs/dbraw/zinc/15/84/72/673158472.db2.gz SPVSUXXXPOYVKQ-LLVKDONJSA-N 1 1 368.821 2.164 20 5 FEBDMO C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CS1(=O)=O ZINC000594976593 673182105 /nfs/dbraw/zinc/18/21/05/673182105.db2.gz PPEHSZUQOATLCE-KOLCDFICSA-N 1 1 364.370 2.252 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000595019257 673186694 /nfs/dbraw/zinc/18/66/94/673186694.db2.gz KYFOJWAOZJDYDN-JOYOIKCWSA-N 1 1 361.320 2.417 20 5 FEBDMO [NH3+]C1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCC1 ZINC000595119480 673196964 /nfs/dbraw/zinc/19/69/64/673196964.db2.gz ATKJXFGMLARZSN-UHFFFAOYSA-N 1 1 368.242 2.451 20 5 FEBDMO COc1ccc(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595465723 673254525 /nfs/dbraw/zinc/25/45/25/673254525.db2.gz HAKKJVJRVPWICO-ZDUSSCGKSA-N 1 1 350.419 2.275 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596075252 673356360 /nfs/dbraw/zinc/35/63/60/673356360.db2.gz GCOYRZNPOXWEJV-ZDUSSCGKSA-N 1 1 370.475 2.309 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596122868 673361121 /nfs/dbraw/zinc/36/11/21/673361121.db2.gz PYKUPVQXDZQONO-CYBMUJFWSA-N 1 1 353.854 2.250 20 5 FEBDMO O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597575916 673488866 /nfs/dbraw/zinc/48/88/66/673488866.db2.gz ACVDTGVHIBZPPZ-LSDHHAIUSA-N 1 1 357.332 2.060 20 5 FEBDMO COC(=O)c1ccnc(NCC[N@@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000598589601 673587213 /nfs/dbraw/zinc/58/72/13/673587213.db2.gz UBZROCSTXKBTPG-UHFFFAOYSA-N 1 1 362.411 2.308 20 5 FEBDMO COC(=O)c1ccnc(NCC[N@H+]2CCc3sccc3C2)c1[N+](=O)[O-] ZINC000598589601 673587214 /nfs/dbraw/zinc/58/72/14/673587214.db2.gz UBZROCSTXKBTPG-UHFFFAOYSA-N 1 1 362.411 2.308 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000542651879 673595281 /nfs/dbraw/zinc/59/52/81/673595281.db2.gz MYUYJJBBSUXSFL-ZDUSSCGKSA-N 1 1 367.471 2.141 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCc3nccc(Br)c3C2)c1 ZINC000598947137 673624428 /nfs/dbraw/zinc/62/44/28/673624428.db2.gz YXQPVVHNSSHBBV-UHFFFAOYSA-N 1 1 352.192 2.007 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000543140101 673627076 /nfs/dbraw/zinc/62/70/76/673627076.db2.gz JUAJEHQAODOABY-HUUCEWRRSA-N 1 1 368.455 2.117 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000543140101 673627079 /nfs/dbraw/zinc/62/70/79/673627079.db2.gz JUAJEHQAODOABY-HUUCEWRRSA-N 1 1 368.455 2.117 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599691546 673706993 /nfs/dbraw/zinc/70/69/93/673706993.db2.gz PDXAROCXVJIZEB-KGLIPLIRSA-N 1 1 355.460 2.225 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000544660599 673724125 /nfs/dbraw/zinc/72/41/25/673724125.db2.gz JWFGYLOWDBYRLB-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO Cc1ccc(-c2ccc(S(=O)(=O)N3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC000600791543 673799249 /nfs/dbraw/zinc/79/92/49/673799249.db2.gz RHUGZKQJIMPCHX-UHFFFAOYSA-N 1 1 361.423 2.164 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000601357004 673847607 /nfs/dbraw/zinc/84/76/07/673847607.db2.gz YDGBTXWOPKGLJI-OCCSQVGLSA-N 1 1 373.450 2.393 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000746395076 673876116 /nfs/dbraw/zinc/87/61/16/673876116.db2.gz SKIBLNIKONJWCF-UHFFFAOYSA-N 1 1 352.460 2.334 20 5 FEBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000746461658 673879340 /nfs/dbraw/zinc/87/93/40/673879340.db2.gz BZLGUJFUYUNGTC-HNNXBMFYSA-N 1 1 354.838 2.459 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747118507 673907857 /nfs/dbraw/zinc/90/78/57/673907857.db2.gz FLXCOQJDZBNAPD-UHFFFAOYSA-N 1 1 362.304 2.493 20 5 FEBDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602769052 673910536 /nfs/dbraw/zinc/91/05/36/673910536.db2.gz LYBNVVQYBVDOHQ-UKRRQHHQSA-N 1 1 351.451 2.117 20 5 FEBDMO CN(Cc1cccs1)C(=O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965580 673914715 /nfs/dbraw/zinc/91/47/15/673914715.db2.gz IYRXUVPHAINPNO-KRWDZBQOSA-N 1 1 363.439 2.112 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000819719488 675311057 /nfs/dbraw/zinc/31/10/57/675311057.db2.gz VXURQPIGCGKCGB-ZUZCIYMTSA-N 1 1 355.797 2.482 20 5 FEBDMO O=C(N1C[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3)CC[C@@H]2C1)C(F)(F)F ZINC000824829784 675624223 /nfs/dbraw/zinc/62/42/23/675624223.db2.gz RBCJUBBYELKWOU-OLZOCXBDSA-N 1 1 357.332 2.437 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000827266959 675743979 /nfs/dbraw/zinc/74/39/79/675743979.db2.gz MBHOHCNJMGBWOM-QMTHXVAHSA-N 1 1 355.797 2.482 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@@H]21 ZINC000827291839 675745852 /nfs/dbraw/zinc/74/58/52/675745852.db2.gz XHEDFCDQPIWSDH-MFKMUULPSA-N 1 1 355.341 2.362 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)C[C@H]1C ZINC000827674794 675771932 /nfs/dbraw/zinc/77/19/32/675771932.db2.gz MJSANPJPDHAVFH-SNVBAGLBSA-N 1 1 368.821 2.373 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)C[C@H]1C ZINC000827674794 675771934 /nfs/dbraw/zinc/77/19/34/675771934.db2.gz MJSANPJPDHAVFH-SNVBAGLBSA-N 1 1 368.821 2.373 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1Cl ZINC000829010401 675858966 /nfs/dbraw/zinc/85/89/66/675858966.db2.gz ZMPKYOYMTUKHAC-PHIMTYICSA-N 1 1 369.805 2.310 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000619476569 676379297 /nfs/dbraw/zinc/37/92/97/676379297.db2.gz MSRFFEFBKFLRLL-OLZOCXBDSA-N 1 1 371.459 2.002 20 5 FEBDMO C[C@@H](C(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000838906901 680727019 /nfs/dbraw/zinc/72/70/19/680727019.db2.gz RHFQPIAHJOAANK-BNOWGMLFSA-N 1 1 352.362 2.244 20 5 FEBDMO CSC[C@H]1CCC[N@@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840028904 680793884 /nfs/dbraw/zinc/79/38/84/680793884.db2.gz UONDWAMZGMOGMZ-CZUORRHYSA-N 1 1 351.428 2.317 20 5 FEBDMO CSC[C@H]1CCC[N@H+]1CN1C(=O)C[C@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840028904 680793885 /nfs/dbraw/zinc/79/38/85/680793885.db2.gz UONDWAMZGMOGMZ-CZUORRHYSA-N 1 1 351.428 2.317 20 5 FEBDMO CC(C)(C)[N@H+]1CCCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000748083820 679928339 /nfs/dbraw/zinc/92/83/39/679928339.db2.gz WECGCSFGHOOLNG-UHFFFAOYSA-N 1 1 360.256 2.318 20 5 FEBDMO COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539796 680000363 /nfs/dbraw/zinc/00/03/63/680000363.db2.gz XMPJEAMQCURGOE-INIZCTEOSA-N 1 1 370.471 2.226 20 5 FEBDMO COCCS(=O)(=O)CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539796 680000366 /nfs/dbraw/zinc/00/03/66/680000366.db2.gz XMPJEAMQCURGOE-INIZCTEOSA-N 1 1 370.471 2.226 20 5 FEBDMO CC[NH+](CC)CCO[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750071734 680099291 /nfs/dbraw/zinc/09/92/91/680099291.db2.gz LCTOLWDCQKFBIY-QZTJIDSGSA-N 1 1 351.447 2.061 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000750891982 680138610 /nfs/dbraw/zinc/13/86/10/680138610.db2.gz WNPYTZJKAMJLPQ-UHFFFAOYSA-N 1 1 362.304 2.493 20 5 FEBDMO CCCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000832742496 680171462 /nfs/dbraw/zinc/17/14/62/680171462.db2.gz ITWSXECZJWKGBJ-GFCCVEGCSA-N 1 1 368.821 2.129 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC2(C)C)cc([N+](=O)[O-])c1F ZINC000832756246 680173114 /nfs/dbraw/zinc/17/31/14/680173114.db2.gz LHURUMACIMDDNE-UHFFFAOYSA-N 1 1 359.423 2.195 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000752250763 680231919 /nfs/dbraw/zinc/23/19/19/680231919.db2.gz JWFVOHYDBTYTJT-GFCCVEGCSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000752250763 680231922 /nfs/dbraw/zinc/23/19/22/680231922.db2.gz JWFVOHYDBTYTJT-GFCCVEGCSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000752252802 680232426 /nfs/dbraw/zinc/23/24/26/680232426.db2.gz HMDDUNUFDPNYPO-JTQLQIEISA-N 1 1 361.851 2.177 20 5 FEBDMO CC(C)(C)c1csc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)n1 ZINC000996442552 680332598 /nfs/dbraw/zinc/33/25/98/680332598.db2.gz XRDXWMLULIDIKC-CHWSQXEVSA-N 1 1 366.487 2.186 20 5 FEBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775926 680337252 /nfs/dbraw/zinc/33/72/52/680337252.db2.gz QXWQUYKPJKGSEF-GAGVYUBLSA-N 1 1 357.435 2.113 20 5 FEBDMO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cc4ccccc4s3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775926 680337257 /nfs/dbraw/zinc/33/72/57/680337257.db2.gz QXWQUYKPJKGSEF-GAGVYUBLSA-N 1 1 357.435 2.113 20 5 FEBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](Cc3cc4ccccc4s3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775926 680337259 /nfs/dbraw/zinc/33/72/59/680337259.db2.gz QXWQUYKPJKGSEF-GAGVYUBLSA-N 1 1 357.435 2.113 20 5 FEBDMO O=C(NCC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400550 680460510 /nfs/dbraw/zinc/46/05/10/680460510.db2.gz URCHSCUUWLBPAO-HZPDHXFCSA-N 1 1 351.834 2.333 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])C1 ZINC000836638808 680493525 /nfs/dbraw/zinc/49/35/25/680493525.db2.gz JPVNYAOMWLKGQW-GFCCVEGCSA-N 1 1 355.822 2.397 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000836939235 680531921 /nfs/dbraw/zinc/53/19/21/680531921.db2.gz PZWBSUHDONZNEX-YOGCLGLASA-N 1 1 350.394 2.155 20 5 FEBDMO Cc1c(C(=O)NCCCC[N@H+](C)C2CC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000837225133 680570843 /nfs/dbraw/zinc/57/08/43/680570843.db2.gz NIMSIGXYVYHXSD-UHFFFAOYSA-N 1 1 350.375 2.416 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])c1F ZINC000766206704 680870295 /nfs/dbraw/zinc/87/02/95/680870295.db2.gz ISOLCNBEQNZZMT-CYBMUJFWSA-N 1 1 371.434 2.338 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc([N+](=O)[O-])c1F ZINC000766206704 680870296 /nfs/dbraw/zinc/87/02/96/680870296.db2.gz ISOLCNBEQNZZMT-CYBMUJFWSA-N 1 1 371.434 2.338 20 5 FEBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841706738 680908298 /nfs/dbraw/zinc/90/82/98/680908298.db2.gz IHDOSFCFGAJNFR-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000841706738 680908299 /nfs/dbraw/zinc/90/82/99/680908299.db2.gz IHDOSFCFGAJNFR-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(COC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC000845167071 681108429 /nfs/dbraw/zinc/10/84/29/681108429.db2.gz VWFNVZMPNJYHGK-UHFFFAOYSA-N 1 1 350.371 2.299 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000775561798 681314743 /nfs/dbraw/zinc/31/47/43/681314743.db2.gz WEUQRSJLWBZMAQ-GFCCVEGCSA-N 1 1 355.822 2.317 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581888 681583001 /nfs/dbraw/zinc/58/30/01/681583001.db2.gz ZHPVXCZVXLANLJ-NEPJUHHUSA-N 1 1 355.341 2.309 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000780206706 681804509 /nfs/dbraw/zinc/80/45/09/681804509.db2.gz AQFOKGALLJKKQB-GFCCVEGCSA-N 1 1 352.460 2.069 20 5 FEBDMO CC[N@H+](Cc1scnc1C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000957712968 681918934 /nfs/dbraw/zinc/91/89/34/681918934.db2.gz CXXIUFIQIGBWMZ-HUUCEWRRSA-N 1 1 366.487 2.177 20 5 FEBDMO CC[N@@H+](Cc1scnc1C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957712968 681918938 /nfs/dbraw/zinc/91/89/38/681918938.db2.gz CXXIUFIQIGBWMZ-HUUCEWRRSA-N 1 1 366.487 2.177 20 5 FEBDMO CC[N@H+](Cc1scnc1C)CC1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000957712968 681918940 /nfs/dbraw/zinc/91/89/40/681918940.db2.gz CXXIUFIQIGBWMZ-HUUCEWRRSA-N 1 1 366.487 2.177 20 5 FEBDMO CCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000850607793 681925403 /nfs/dbraw/zinc/92/54/03/681925403.db2.gz RLKFIGFCAJVBPB-GFCCVEGCSA-N 1 1 368.821 2.129 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000782403809 682038947 /nfs/dbraw/zinc/03/89/47/682038947.db2.gz AHOVXIHAUXSIHA-CYBMUJFWSA-N 1 1 364.471 2.477 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000786238421 682362522 /nfs/dbraw/zinc/36/25/22/682362522.db2.gz GMTVGFCQRGRZDB-SECBINFHSA-N 1 1 356.220 2.442 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000786238421 682362529 /nfs/dbraw/zinc/36/25/29/682362529.db2.gz GMTVGFCQRGRZDB-SECBINFHSA-N 1 1 356.220 2.442 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000786552265 682384998 /nfs/dbraw/zinc/38/49/98/682384998.db2.gz WEZSXWONUZDGMU-UHFFFAOYSA-N 1 1 365.777 2.085 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@@H+]3CC[C@H](Cn4ccnn4)C3)c2c1 ZINC000853522312 682427490 /nfs/dbraw/zinc/42/74/90/682427490.db2.gz MPPAGLJVRNCYAO-NSHDSACASA-N 1 1 360.399 2.443 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(=S)n(C[N@H+]3CC[C@H](Cn4ccnn4)C3)c2c1 ZINC000853522312 682427493 /nfs/dbraw/zinc/42/74/93/682427493.db2.gz MPPAGLJVRNCYAO-NSHDSACASA-N 1 1 360.399 2.443 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(Br)c1 ZINC000853966203 682495559 /nfs/dbraw/zinc/49/55/59/682495559.db2.gz PRWDVWOSDZJAFP-ZDUSSCGKSA-N 1 1 370.247 2.393 20 5 FEBDMO Cc1c[nH+]cn1CC(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000859952360 683177300 /nfs/dbraw/zinc/17/73/00/683177300.db2.gz XWLRIGPUXLWNTQ-SNVBAGLBSA-N 1 1 366.761 2.324 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000919837174 683302443 /nfs/dbraw/zinc/30/24/43/683302443.db2.gz SDAUCJRYHSBHLP-NWDGAFQWSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000919837174 683302449 /nfs/dbraw/zinc/30/24/49/683302449.db2.gz SDAUCJRYHSBHLP-NWDGAFQWSA-N 1 1 373.862 2.414 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928075500 683369435 /nfs/dbraw/zinc/36/94/35/683369435.db2.gz DFHYSMVIJBISSX-HZMVEIRTSA-N 1 1 361.467 2.394 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc([N+](=O)[O-])c1C ZINC000928086572 683376228 /nfs/dbraw/zinc/37/62/28/683376228.db2.gz PQRHNJJRMSXFQQ-ZFWWWQNUSA-N 1 1 365.455 2.221 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc([N+](=O)[O-])c1C ZINC000928086572 683376236 /nfs/dbraw/zinc/37/62/36/683376236.db2.gz PQRHNJJRMSXFQQ-ZFWWWQNUSA-N 1 1 365.455 2.221 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928093757 683382900 /nfs/dbraw/zinc/38/29/00/683382900.db2.gz NNHJSTCXBSVQOR-UKRRQHHQSA-N 1 1 365.455 2.060 20 5 FEBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000861347728 683394549 /nfs/dbraw/zinc/39/45/49/683394549.db2.gz LLBCLLOYGWXQHN-ZUCKAHLUSA-N 1 1 354.378 2.490 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000862033088 683519582 /nfs/dbraw/zinc/51/95/82/683519582.db2.gz ZKWNUUNJGZUXNW-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO Cc1c(F)nccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000862324378 683568769 /nfs/dbraw/zinc/56/87/69/683568769.db2.gz LANALFVXJSXTSQ-UHFFFAOYSA-N 1 1 353.375 2.001 20 5 FEBDMO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000929521571 683605916 /nfs/dbraw/zinc/60/59/16/683605916.db2.gz TVAZAGIVCCEIQV-UWVGGRQHSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1Br ZINC000929521571 683605919 /nfs/dbraw/zinc/60/59/19/683605919.db2.gz TVAZAGIVCCEIQV-UWVGGRQHSA-N 1 1 356.220 2.443 20 5 FEBDMO CCC[C@@H]1CN(c2cc(F)c([N+](=O)[O-])cc2CO)CC[N@H+]1CCOC ZINC000865650233 684010478 /nfs/dbraw/zinc/01/04/78/684010478.db2.gz AEPZXNGPIOXWNY-CQSZACIVSA-N 1 1 355.410 2.163 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000866863719 684170319 /nfs/dbraw/zinc/17/03/19/684170319.db2.gz SIMXRRRMPOHUHI-RYUDHWBXSA-N 1 1 359.423 2.146 20 5 FEBDMO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000931607891 684312115 /nfs/dbraw/zinc/31/21/15/684312115.db2.gz OPLGLZSNQRJBFX-JSGCOSHPSA-N 1 1 354.407 2.435 20 5 FEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000931724915 684336921 /nfs/dbraw/zinc/33/69/21/684336921.db2.gz LKFHUMYLJCMVJL-QWHCGFSZSA-N 1 1 352.822 2.355 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000925763246 684583730 /nfs/dbraw/zinc/58/37/30/684583730.db2.gz RDNDAVUQAMZWTF-LSDHHAIUSA-N 1 1 370.247 2.214 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c(C)cc1[N+](=O)[O-] ZINC000872665109 685001277 /nfs/dbraw/zinc/00/12/77/685001277.db2.gz OVZHHLKBYKZEDN-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000910928811 685140363 /nfs/dbraw/zinc/14/03/63/685140363.db2.gz RVNMSEMPSVIZMR-STQMWFEESA-N 1 1 369.849 2.094 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000876794057 686269861 /nfs/dbraw/zinc/26/98/61/686269861.db2.gz LGEPBKMSLYAETG-ZDUSSCGKSA-N 1 1 353.423 2.160 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000876794057 686269864 /nfs/dbraw/zinc/26/98/64/686269864.db2.gz LGEPBKMSLYAETG-ZDUSSCGKSA-N 1 1 353.423 2.160 20 5 FEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000878872418 686680348 /nfs/dbraw/zinc/68/03/48/686680348.db2.gz DBNRTZNVUOFYQF-INIZCTEOSA-N 1 1 369.462 2.374 20 5 FEBDMO O=[N+]([O-])c1ccc(F)cc1C[N@@H+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000878872418 686680351 /nfs/dbraw/zinc/68/03/51/686680351.db2.gz DBNRTZNVUOFYQF-INIZCTEOSA-N 1 1 369.462 2.374 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC000879598988 686866689 /nfs/dbraw/zinc/86/66/89/686866689.db2.gz HNDROMCYKOADTA-UHFFFAOYSA-N 1 1 351.357 2.200 20 5 FEBDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136983 687004996 /nfs/dbraw/zinc/00/49/96/687004996.db2.gz VUAXSQODBMTBBT-JKSUJKDBSA-N 1 1 350.394 2.231 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136983 687004999 /nfs/dbraw/zinc/00/49/99/687004999.db2.gz VUAXSQODBMTBBT-JKSUJKDBSA-N 1 1 350.394 2.231 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000880136983 687005000 /nfs/dbraw/zinc/00/50/00/687005000.db2.gz VUAXSQODBMTBBT-JKSUJKDBSA-N 1 1 350.394 2.231 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000884954483 687974107 /nfs/dbraw/zinc/97/41/07/687974107.db2.gz FNOZMBXJRDXROK-ZIAGYGMSSA-N 1 1 353.444 2.117 20 5 FEBDMO CSc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000885859079 688170379 /nfs/dbraw/zinc/17/03/79/688170379.db2.gz SXHHITCDUBBFQV-CQSZACIVSA-N 1 1 365.455 2.300 20 5 FEBDMO COc1c(O)ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000892152678 689157480 /nfs/dbraw/zinc/15/74/80/689157480.db2.gz WCQPJCOPKNJTJK-CQSZACIVSA-N 1 1 352.387 2.079 20 5 FEBDMO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246115 689683536 /nfs/dbraw/zinc/68/35/36/689683536.db2.gz LMTYKZVICHFYTN-HZMBPMFUSA-N 1 1 357.252 2.404 20 5 FEBDMO Cc1c(Br)c(N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895248259 689683923 /nfs/dbraw/zinc/68/39/23/689683923.db2.gz ZJGCVMMJMIWGSZ-ZYHUDNBSSA-N 1 1 372.267 2.107 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000900719354 690552879 /nfs/dbraw/zinc/55/28/79/690552879.db2.gz GTERYSAAPYVAJN-ZDUSSCGKSA-N 1 1 353.806 2.231 20 5 FEBDMO C[C@@H]1CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)[N@@H+]1CCO ZINC000909030274 691769179 /nfs/dbraw/zinc/76/91/79/691769179.db2.gz FIYUDLMCDXWDKS-BETUJISGSA-N 1 1 369.849 2.094 20 5 FEBDMO COc1nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ncc1[N+](=O)[O-] ZINC001164621740 719051938 /nfs/dbraw/zinc/05/19/38/719051938.db2.gz JPMUQHSNXHCUCT-WBVHZDCISA-N 1 1 369.425 2.494 20 5 FEBDMO CCc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301623794 719458094 /nfs/dbraw/zinc/45/80/94/719458094.db2.gz ABBMJOZICIDHHA-IRXDYDNUSA-N 1 1 369.425 2.133 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164724899 720357831 /nfs/dbraw/zinc/35/78/31/720357831.db2.gz LNVFPSOCAITKQN-GJZGRUSLSA-N 1 1 370.369 2.146 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926052 721875752 /nfs/dbraw/zinc/87/57/52/721875752.db2.gz QOUADRJXVAWUQK-QZTJIDSGSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1nccc2ccc([N+](=O)[O-])cc21 ZINC001164926052 721875753 /nfs/dbraw/zinc/87/57/53/721875753.db2.gz QOUADRJXVAWUQK-QZTJIDSGSA-N 1 1 355.442 2.358 20 5 FEBDMO Cc1c(Br)c(NC[C@@H](C)C[NH+]2CCOCC2)ncc1[N+](=O)[O-] ZINC000514852833 816013640 /nfs/dbraw/zinc/01/36/40/816013640.db2.gz VTEAJDHIENRRPN-SNVBAGLBSA-N 1 1 373.251 2.441 20 5 FEBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000123749806 210059083 /nfs/dbraw/zinc/05/90/83/210059083.db2.gz CENWVRUVGPLDBL-UHFFFAOYSA-N 1 1 373.450 2.476 20 5 FEBDMO Cc1cc(CN2CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC2)on1 ZINC000026339779 539783559 /nfs/dbraw/zinc/78/35/59/539783559.db2.gz UYPGDTUCMQQQJR-UHFFFAOYSA-N 1 1 373.413 2.038 20 5 FEBDMO CNC(=O)c1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000029930100 539869048 /nfs/dbraw/zinc/86/90/48/539869048.db2.gz RWSBKWGJPVKCNI-ZDUSSCGKSA-N 1 1 370.409 2.413 20 5 FEBDMO CNC(=O)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000029930100 539869052 /nfs/dbraw/zinc/86/90/52/539869052.db2.gz RWSBKWGJPVKCNI-ZDUSSCGKSA-N 1 1 370.409 2.413 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032441075 539939121 /nfs/dbraw/zinc/93/91/21/539939121.db2.gz GIVICHSIPYKUAU-KBPBESRZSA-N 1 1 355.460 2.444 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000041644054 540028629 /nfs/dbraw/zinc/02/86/29/540028629.db2.gz GGZSIXXPZDXOGP-KBPBESRZSA-N 1 1 362.430 2.221 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000047105313 540290479 /nfs/dbraw/zinc/29/04/79/540290479.db2.gz RQKFTEQGICJLGN-ZWKOTPCHSA-N 1 1 373.457 2.053 20 5 FEBDMO Cc1sc(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)cc1[N+](=O)[O-] ZINC000050798879 540414431 /nfs/dbraw/zinc/41/44/31/540414431.db2.gz UODGXEGKACKDKI-UHFFFAOYSA-N 1 1 366.487 2.253 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000051001836 540419460 /nfs/dbraw/zinc/41/94/60/540419460.db2.gz SSVKZRLJAQBPHA-CQSZACIVSA-N 1 1 362.430 2.080 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000051001836 540419463 /nfs/dbraw/zinc/41/94/63/540419463.db2.gz SSVKZRLJAQBPHA-CQSZACIVSA-N 1 1 362.430 2.080 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052160025 540456550 /nfs/dbraw/zinc/45/65/50/540456550.db2.gz PXFKIQSLKQFPFR-STQMWFEESA-N 1 1 370.475 2.035 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000052931271 540500186 /nfs/dbraw/zinc/50/01/86/540500186.db2.gz IDQMOFHFADZRRC-HNNXBMFYSA-N 1 1 374.441 2.162 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000053887305 540558588 /nfs/dbraw/zinc/55/85/88/540558588.db2.gz ZIBNWEIZULBUTG-JTQLQIEISA-N 1 1 373.356 2.419 20 5 FEBDMO CNC(=O)c1ccc(NCc2ccc(-n3cc[nH+]c3C)nc2)c([N+](=O)[O-])c1 ZINC000053575299 540544039 /nfs/dbraw/zinc/54/40/39/540544039.db2.gz BPGJAICXYWRIDT-UHFFFAOYSA-N 1 1 366.381 2.456 20 5 FEBDMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054172871 540573140 /nfs/dbraw/zinc/57/31/40/540573140.db2.gz LAHAGOPHXXJWIK-UHFFFAOYSA-N 1 1 354.476 2.079 20 5 FEBDMO CC(C)(C)NC(=O)C[N@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054172871 540573142 /nfs/dbraw/zinc/57/31/42/540573142.db2.gz LAHAGOPHXXJWIK-UHFFFAOYSA-N 1 1 354.476 2.079 20 5 FEBDMO CCOc1cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1OC ZINC000057715311 540810685 /nfs/dbraw/zinc/81/06/85/540810685.db2.gz WKMBTMABUCULRH-NSHDSACASA-N 1 1 351.403 2.215 20 5 FEBDMO C[C@@H](CNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[N@@H+](C)C1CC1 ZINC000057720603 540811914 /nfs/dbraw/zinc/81/19/14/540811914.db2.gz XHNGHFVLVVKVKP-AWEZNQCLSA-N 1 1 360.458 2.410 20 5 FEBDMO C[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000060991672 541123901 /nfs/dbraw/zinc/12/39/01/541123901.db2.gz JPHHRHKGAIZOJH-UHFFFAOYSA-N 1 1 367.349 2.394 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000062227891 541145561 /nfs/dbraw/zinc/14/55/61/541145561.db2.gz SBVLHAFKESTAPJ-KRWDZBQOSA-N 1 1 371.441 2.352 20 5 FEBDMO COc1cc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000064736620 541216217 /nfs/dbraw/zinc/21/62/17/541216217.db2.gz DAOIFIZUJRIWNK-LLVKDONJSA-N 1 1 362.386 2.183 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000066196912 541290251 /nfs/dbraw/zinc/29/02/51/541290251.db2.gz SYZUPPBAJKHSKO-HNNXBMFYSA-N 1 1 363.462 2.157 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CCCCC1 ZINC000066633132 541350628 /nfs/dbraw/zinc/35/06/28/541350628.db2.gz LHFHCYRXLYYYDN-UHFFFAOYSA-N 1 1 363.414 2.360 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCCCC1 ZINC000067137472 541422759 /nfs/dbraw/zinc/42/27/59/541422759.db2.gz OJPOJWCGETZBJA-UHFFFAOYSA-N 1 1 372.429 2.170 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000551006938 674119644 /nfs/dbraw/zinc/11/96/44/674119644.db2.gz CIZUZHJWPYMODB-NSHDSACASA-N 1 1 352.416 2.023 20 5 FEBDMO O=[N+]([O-])c1cnc(NCCC[NH+]2CCN(Cc3ccccc3)CC2)nc1 ZINC000545483877 541983210 /nfs/dbraw/zinc/98/32/10/541983210.db2.gz TXZRWCSCPWBUKD-UHFFFAOYSA-N 1 1 356.430 2.005 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000074856444 542129299 /nfs/dbraw/zinc/12/92/99/542129299.db2.gz LMPWTDHOJOKSTB-OAHLLOKOSA-N 1 1 364.446 2.408 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000075656589 542195758 /nfs/dbraw/zinc/19/57/58/542195758.db2.gz GEJJNWZPRPISEG-CYBMUJFWSA-N 1 1 355.460 2.446 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000076478320 542283633 /nfs/dbraw/zinc/28/36/33/542283633.db2.gz LYIQJZLGPAWCBA-UKRRQHHQSA-N 1 1 365.430 2.171 20 5 FEBDMO O=C(CN1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000080969894 542620245 /nfs/dbraw/zinc/62/02/45/542620245.db2.gz NEVPMDRLWKPZPL-AWEZNQCLSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000080969894 542620250 /nfs/dbraw/zinc/62/02/50/542620250.db2.gz NEVPMDRLWKPZPL-AWEZNQCLSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000080969894 542620254 /nfs/dbraw/zinc/62/02/54/542620254.db2.gz NEVPMDRLWKPZPL-AWEZNQCLSA-N 1 1 355.398 2.087 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000091482600 542810291 /nfs/dbraw/zinc/81/02/91/542810291.db2.gz CEQGXAGYHBJBMN-SNVBAGLBSA-N 1 1 352.347 2.043 20 5 FEBDMO COCC[N@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000106107060 543198812 /nfs/dbraw/zinc/19/88/12/543198812.db2.gz MCBCACJSWVUXGP-OAHLLOKOSA-N 1 1 374.441 2.445 20 5 FEBDMO COCCN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000106107060 543198814 /nfs/dbraw/zinc/19/88/14/543198814.db2.gz MCBCACJSWVUXGP-OAHLLOKOSA-N 1 1 374.441 2.445 20 5 FEBDMO COCCN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C ZINC000106107060 543198818 /nfs/dbraw/zinc/19/88/18/543198818.db2.gz MCBCACJSWVUXGP-OAHLLOKOSA-N 1 1 374.441 2.445 20 5 FEBDMO CCS(=O)(=O)N(C)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000109009065 543310405 /nfs/dbraw/zinc/31/04/05/543310405.db2.gz JTHANWNRPVPERE-CYBMUJFWSA-N 1 1 355.460 2.402 20 5 FEBDMO Cc1nc(C[NH+]2CCC(CNC(=O)c3ccc([N+](=O)[O-])o3)CC2)oc1C ZINC000111153990 543383905 /nfs/dbraw/zinc/38/39/05/543383905.db2.gz HYOXRACJFJDXCQ-UHFFFAOYSA-N 1 1 362.386 2.435 20 5 FEBDMO COCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000112355953 543443473 /nfs/dbraw/zinc/44/34/73/543443473.db2.gz WSQIPAAASQMVJL-GFCCVEGCSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112991536 543471814 /nfs/dbraw/zinc/47/18/14/543471814.db2.gz CIZFXGVYOPMELQ-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000112991536 543471817 /nfs/dbraw/zinc/47/18/17/543471817.db2.gz CIZFXGVYOPMELQ-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO Cc1ccc(C)c([C@@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H](C)CO2)c1 ZINC000247456242 549336234 /nfs/dbraw/zinc/33/62/34/549336234.db2.gz HWXUHFAHJXIBEM-IEZWGBDMSA-N 1 1 374.441 2.231 20 5 FEBDMO Cc1ccc(C)c([C@@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@@H](C)CO2)c1 ZINC000247456242 549336238 /nfs/dbraw/zinc/33/62/38/549336238.db2.gz HWXUHFAHJXIBEM-IEZWGBDMSA-N 1 1 374.441 2.231 20 5 FEBDMO CC(C)OC(=O)C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000114073066 543503456 /nfs/dbraw/zinc/50/34/56/543503456.db2.gz JYYGPIOYSZWQJD-GDBMZVCRSA-N 1 1 363.414 2.188 20 5 FEBDMO Cc1sc(S(=O)(=O)NCC[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000123285156 543752942 /nfs/dbraw/zinc/75/29/42/543752942.db2.gz RXIQIYPBCUMJCQ-UHFFFAOYSA-N 1 1 369.468 2.375 20 5 FEBDMO Cc1sc(S(=O)(=O)NCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000123285156 543752944 /nfs/dbraw/zinc/75/29/44/543752944.db2.gz RXIQIYPBCUMJCQ-UHFFFAOYSA-N 1 1 369.468 2.375 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](CO)c1cccc(Br)c1 ZINC000125595524 543890401 /nfs/dbraw/zinc/89/04/01/543890401.db2.gz BYNYYJOZKATOCN-CYBMUJFWSA-N 1 1 369.219 2.219 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127838689 544017114 /nfs/dbraw/zinc/01/71/14/544017114.db2.gz HERLRHFTXDIVKN-CQSZACIVSA-N 1 1 350.419 2.444 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000128960769 544083102 /nfs/dbraw/zinc/08/31/02/544083102.db2.gz FMPIHDANDLYETA-CHWSQXEVSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1Cl ZINC000128960769 544083104 /nfs/dbraw/zinc/08/31/04/544083104.db2.gz FMPIHDANDLYETA-CHWSQXEVSA-N 1 1 353.806 2.231 20 5 FEBDMO COc1cc(OCC(=O)NCCCCn2cc[nH+]c2C)ccc1[N+](=O)[O-] ZINC000129723048 544125075 /nfs/dbraw/zinc/12/50/75/544125075.db2.gz LIJLSNOMZXSNAB-UHFFFAOYSA-N 1 1 362.386 2.084 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000131642123 544199793 /nfs/dbraw/zinc/19/97/93/544199793.db2.gz GUNKADGPGUFHEE-UHFFFAOYSA-N 1 1 362.430 2.424 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000133378536 544267157 /nfs/dbraw/zinc/26/71/57/544267157.db2.gz YGZKYIYBYSEZSU-CABCVRRESA-N 1 1 374.441 2.235 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000133662658 544279172 /nfs/dbraw/zinc/27/91/72/544279172.db2.gz AGTFBTFJZKKKOK-HOCLYGCPSA-N 1 1 358.442 2.408 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000134678498 544317844 /nfs/dbraw/zinc/31/78/44/544317844.db2.gz NQPAUKNCNCFVEL-HNNXBMFYSA-N 1 1 372.469 2.433 20 5 FEBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000137262467 544387652 /nfs/dbraw/zinc/38/76/52/544387652.db2.gz IXODGZDCGXEHJB-GFCCVEGCSA-N 1 1 353.806 2.043 20 5 FEBDMO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CN1CC[NH+](C)CC1 ZINC000139814162 544405325 /nfs/dbraw/zinc/40/53/25/544405325.db2.gz YMLFFSUCVWQBII-GFCCVEGCSA-N 1 1 369.853 2.253 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153422098 544773993 /nfs/dbraw/zinc/77/39/93/544773993.db2.gz BDFVJCRUMRFARN-KSSFIOAISA-N 1 1 359.426 2.449 20 5 FEBDMO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@H+]1C[C@@H](C)O ZINC000153766846 544820400 /nfs/dbraw/zinc/82/04/00/544820400.db2.gz IFXKUSFJFXEFID-UKRRQHHQSA-N 1 1 350.419 2.212 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000153788650 544823460 /nfs/dbraw/zinc/82/34/60/544823460.db2.gz FVWWYTQAMTUQJH-HNNXBMFYSA-N 1 1 365.430 2.414 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000153788650 544823466 /nfs/dbraw/zinc/82/34/66/544823466.db2.gz FVWWYTQAMTUQJH-HNNXBMFYSA-N 1 1 365.430 2.414 20 5 FEBDMO Cc1c(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000155192678 545000328 /nfs/dbraw/zinc/00/03/28/545000328.db2.gz UOYMCNAVWKVTSB-SWLSCSKDSA-N 1 1 362.386 2.368 20 5 FEBDMO CN(C[C@H](O)C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000818166902 675200389 /nfs/dbraw/zinc/20/03/89/675200389.db2.gz LRWAALLREYYBBN-CQSZACIVSA-N 1 1 353.419 2.254 20 5 FEBDMO CN(C[C@H](O)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000818166902 675200393 /nfs/dbraw/zinc/20/03/93/675200393.db2.gz LRWAALLREYYBBN-CQSZACIVSA-N 1 1 353.419 2.254 20 5 FEBDMO CC1(C)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000188426471 328086264 /nfs/dbraw/zinc/08/62/64/328086264.db2.gz HKZSDSPLMLWBLR-UHFFFAOYSA-N 1 1 370.409 2.432 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000189149800 328131594 /nfs/dbraw/zinc/13/15/94/328131594.db2.gz ZMMPRVTWZMFKJW-GXTWGEPZSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1ccc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190031367 328183755 /nfs/dbraw/zinc/18/37/55/328183755.db2.gz XDZIUZAVOROICQ-CYBMUJFWSA-N 1 1 350.419 2.212 20 5 FEBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000190120183 328189628 /nfs/dbraw/zinc/18/96/28/328189628.db2.gz ZYOMNCDOMILUNM-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000190120183 328189630 /nfs/dbraw/zinc/18/96/30/328189630.db2.gz ZYOMNCDOMILUNM-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO COC(=O)c1cnc(N2CC[NH+](Cc3ccccc3C)CC2)c([N+](=O)[O-])c1 ZINC000190164711 328192110 /nfs/dbraw/zinc/19/21/10/328192110.db2.gz YVGMPVPVAOSBHI-UHFFFAOYSA-N 1 1 370.409 2.407 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000191770034 328280819 /nfs/dbraw/zinc/28/08/19/328280819.db2.gz QCYOXEMCSYXNDO-HNNXBMFYSA-N 1 1 357.414 2.206 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000192003170 328293080 /nfs/dbraw/zinc/29/30/80/328293080.db2.gz YFZQIAYAWDCZBQ-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107537 328300134 /nfs/dbraw/zinc/30/01/34/328300134.db2.gz NESXOJJDPPFLQN-YOEHRIQHSA-N 1 1 367.409 2.430 20 5 FEBDMO O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192107537 328300136 /nfs/dbraw/zinc/30/01/36/328300136.db2.gz NESXOJJDPPFLQN-YOEHRIQHSA-N 1 1 367.409 2.430 20 5 FEBDMO C[N@@H+](CCN1CCN(c2ncc([N+](=O)[O-])s2)CC1)Cc1ccccc1 ZINC000192450875 328319710 /nfs/dbraw/zinc/31/97/10/328319710.db2.gz YSSUCNYQZGUYEL-UHFFFAOYSA-N 1 1 361.471 2.305 20 5 FEBDMO CCS(=O)(=O)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000193261090 328365768 /nfs/dbraw/zinc/36/57/68/328365768.db2.gz BFJHILHRAXUVDI-UHFFFAOYSA-N 1 1 356.444 2.263 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000193691954 328389798 /nfs/dbraw/zinc/38/97/98/328389798.db2.gz FSMALCGSHACQAR-WFASDCNBSA-N 1 1 356.382 2.088 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)s1 ZINC000195510801 328481278 /nfs/dbraw/zinc/48/12/78/328481278.db2.gz CSXAPEZFMPLVBP-UHFFFAOYSA-N 1 1 354.354 2.142 20 5 FEBDMO O=C(CN1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1 ZINC000052487165 324716760 /nfs/dbraw/zinc/71/67/60/324716760.db2.gz FGRGZWLEVJVERM-UHFFFAOYSA-N 1 1 368.437 2.394 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000056039699 324794707 /nfs/dbraw/zinc/79/47/07/324794707.db2.gz KOZGPPXKYGPFMA-UHFFFAOYSA-N 1 1 370.409 2.425 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000080254685 325125132 /nfs/dbraw/zinc/12/51/32/325125132.db2.gz QMLMETMOPSDUPB-GFCCVEGCSA-N 1 1 368.397 2.471 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCNc1cccc(C)[nH+]1 ZINC000085295657 325250539 /nfs/dbraw/zinc/25/05/39/325250539.db2.gz MNERMIOLCXJEHP-UHFFFAOYSA-N 1 1 364.427 2.251 20 5 FEBDMO CC[NH+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000086962529 325268833 /nfs/dbraw/zinc/26/88/33/325268833.db2.gz PWSVYORXKYFBCJ-UHFFFAOYSA-N 1 1 356.220 2.064 20 5 FEBDMO COc1ccc(OCC[NH+]2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000089970537 325346701 /nfs/dbraw/zinc/34/67/01/325346701.db2.gz HUXFFAZXAVTIAC-UHFFFAOYSA-N 1 1 364.320 2.371 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000116248260 326001974 /nfs/dbraw/zinc/00/19/74/326001974.db2.gz QMGYDZRUBOTKSB-GUYCJALGSA-N 1 1 369.425 2.212 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000118100248 326081247 /nfs/dbraw/zinc/08/12/47/326081247.db2.gz MYTLRTBYRANBJY-UHFFFAOYSA-N 1 1 362.430 2.222 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000119893691 326209792 /nfs/dbraw/zinc/20/97/92/326209792.db2.gz QYWUBEQKTPPCBQ-PHIMTYICSA-N 1 1 371.384 2.491 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000119893691 326209794 /nfs/dbraw/zinc/20/97/94/326209794.db2.gz QYWUBEQKTPPCBQ-PHIMTYICSA-N 1 1 371.384 2.491 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120626018 326273869 /nfs/dbraw/zinc/27/38/69/326273869.db2.gz IIAVQJLWRMOHTP-GWCFXTLKSA-N 1 1 350.375 2.224 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000120901733 326297548 /nfs/dbraw/zinc/29/75/48/326297548.db2.gz PBHONBJCHGWFAV-LRDDRELGSA-N 1 1 363.414 2.184 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000121197189 326320918 /nfs/dbraw/zinc/32/09/18/326320918.db2.gz HBAXWHLFCZADRN-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000121361419 326332739 /nfs/dbraw/zinc/33/27/39/326332739.db2.gz PBGUBUDATSSJBS-AWEZNQCLSA-N 1 1 374.441 2.283 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)cc1[N+](=O)[O-] ZINC000121766298 326365088 /nfs/dbraw/zinc/36/50/88/326365088.db2.gz ICNBWMBSQXCXCN-AWEZNQCLSA-N 1 1 374.441 2.317 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122348083 326393303 /nfs/dbraw/zinc/39/33/03/326393303.db2.gz XJMNXUDVPWQHNL-HIFRSBDPSA-N 1 1 353.444 2.008 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000122426320 326396566 /nfs/dbraw/zinc/39/65/66/326396566.db2.gz ZEMJDCRQXPOKIC-YPMHNXCESA-N 1 1 373.862 2.353 20 5 FEBDMO Cc1c(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000127256221 326502808 /nfs/dbraw/zinc/50/28/08/326502808.db2.gz ZSHGSXJPLZDGAQ-UWVGGRQHSA-N 1 1 350.375 2.284 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](C4OCCO4)C3)o2)cc1 ZINC000171377338 327135753 /nfs/dbraw/zinc/13/57/53/327135753.db2.gz QYNINAVCVZQZSQ-ZDUSSCGKSA-N 1 1 360.370 2.230 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000171399410 327137067 /nfs/dbraw/zinc/13/70/67/327137067.db2.gz VUXIQUQAADPSEO-CQSZACIVSA-N 1 1 357.414 2.275 20 5 FEBDMO COC(=O)c1oc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000172358233 327197875 /nfs/dbraw/zinc/19/78/75/327197875.db2.gz RNHYIBWRVBZPQT-GFCCVEGCSA-N 1 1 360.370 2.364 20 5 FEBDMO COC(=O)c1oc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1C ZINC000172358233 327197877 /nfs/dbraw/zinc/19/78/77/327197877.db2.gz RNHYIBWRVBZPQT-GFCCVEGCSA-N 1 1 360.370 2.364 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000172801024 327220114 /nfs/dbraw/zinc/22/01/14/327220114.db2.gz SCNIHANQMYYBAO-UKRRQHHQSA-N 1 1 362.430 2.101 20 5 FEBDMO C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+]1C ZINC000173278204 327246129 /nfs/dbraw/zinc/24/61/29/327246129.db2.gz CCVPOKAXVGFORK-GHMZBOCLSA-N 1 1 361.851 2.351 20 5 FEBDMO Cc1nn(C)c(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000173614537 327271305 /nfs/dbraw/zinc/27/13/05/327271305.db2.gz KXLNTFMXAGVWDU-CYBMUJFWSA-N 1 1 359.430 2.277 20 5 FEBDMO C[N@H+](Cc1ccc(Br)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174655985 327341832 /nfs/dbraw/zinc/34/18/32/327341832.db2.gz CTKHKSHJGFYEPG-AWEZNQCLSA-N 1 1 369.219 2.047 20 5 FEBDMO COc1cc[nH+]c(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c1 ZINC000177050435 327493534 /nfs/dbraw/zinc/49/35/34/327493534.db2.gz NPIJSDADKVOASH-UHFFFAOYSA-N 1 1 369.381 2.462 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000264379645 329016365 /nfs/dbraw/zinc/01/63/65/329016365.db2.gz FHQBCHZYOWNEFG-QGZVFWFLSA-N 1 1 360.458 2.145 20 5 FEBDMO CC(=O)c1ccc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000264570135 329036805 /nfs/dbraw/zinc/03/68/05/329036805.db2.gz WXCIYQHTDKQYHP-QGZVFWFLSA-N 1 1 360.458 2.404 20 5 FEBDMO COC(=O)[C@H]1CC12CC[NH+](Cc1nc(-c3cccc([N+](=O)[O-])c3)no1)CC2 ZINC000265014656 329083067 /nfs/dbraw/zinc/08/30/67/329083067.db2.gz GDSONNZBNFXMQB-CQSZACIVSA-N 1 1 372.381 2.420 20 5 FEBDMO COC(=O)[C@@H]1CC12CC[NH+]([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)CC2 ZINC000265109197 329092006 /nfs/dbraw/zinc/09/20/06/329092006.db2.gz ZPEJHXATHKQMHD-DOMZBBRYSA-N 1 1 361.398 2.197 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000266351270 329213912 /nfs/dbraw/zinc/21/39/12/329213912.db2.gz XJPYMNOBPAEADE-HNNXBMFYSA-N 1 1 355.460 2.231 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000266530214 329233104 /nfs/dbraw/zinc/23/31/04/329233104.db2.gz LXOWVAJFZJAMIY-CZUORRHYSA-N 1 1 350.806 2.295 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC2(C1)CCOCC2 ZINC000266653770 329246137 /nfs/dbraw/zinc/24/61/37/329246137.db2.gz ZFADTCQGCSGHBR-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000267063004 329287751 /nfs/dbraw/zinc/28/77/51/329287751.db2.gz JCQDMKPGHXKPEC-CHWSQXEVSA-N 1 1 353.423 2.026 20 5 FEBDMO Nc1c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000267333177 329315793 /nfs/dbraw/zinc/31/57/93/329315793.db2.gz QWBIUMYRDQZLQY-INIZCTEOSA-N 1 1 368.437 2.471 20 5 FEBDMO CC(C)[C@H](CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000271654562 329712248 /nfs/dbraw/zinc/71/22/48/329712248.db2.gz VYXJRNFYCYYQDF-YOEHRIQHSA-N 1 1 364.446 2.312 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000273480493 329868364 /nfs/dbraw/zinc/86/83/64/329868364.db2.gz KDAUGPDIRUBDEO-HNNXBMFYSA-N 1 1 369.468 2.379 20 5 FEBDMO CS[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1N(C)C ZINC000275662745 330075676 /nfs/dbraw/zinc/07/56/76/330075676.db2.gz WBOGKNWGEXTDQP-GJZGRUSLSA-N 1 1 370.450 2.040 20 5 FEBDMO CS[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1N(C)C ZINC000275662745 330075678 /nfs/dbraw/zinc/07/56/78/330075678.db2.gz WBOGKNWGEXTDQP-GJZGRUSLSA-N 1 1 370.450 2.040 20 5 FEBDMO CCOCCOCC[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000276290466 330137672 /nfs/dbraw/zinc/13/76/72/330137672.db2.gz UABQXCVSHNEXFK-UHFFFAOYSA-N 1 1 357.382 2.047 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000299697081 330199416 /nfs/dbraw/zinc/19/94/16/330199416.db2.gz OLVLWHILIAXMON-UONOGXRCSA-N 1 1 362.430 2.091 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367063903 330212752 /nfs/dbraw/zinc/21/27/52/330212752.db2.gz AMEAWPILKJAVJB-HNNXBMFYSA-N 1 1 371.441 2.169 20 5 FEBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000367251348 330236295 /nfs/dbraw/zinc/23/62/95/330236295.db2.gz FRWNBIOPBZOPOQ-NSHDSACASA-N 1 1 361.377 2.380 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1CNc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433188485 330275886 /nfs/dbraw/zinc/27/58/86/330275886.db2.gz LUUXGLSLVZBZTK-UHFFFAOYSA-N 1 1 354.410 2.359 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1CNc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433188485 330275887 /nfs/dbraw/zinc/27/58/87/330275887.db2.gz LUUXGLSLVZBZTK-UHFFFAOYSA-N 1 1 354.410 2.359 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555075774 674346857 /nfs/dbraw/zinc/34/68/57/674346857.db2.gz AKQDSUBOLMFFCN-NSHDSACASA-N 1 1 359.329 2.246 20 5 FEBDMO CC(C)(C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000805616025 674347696 /nfs/dbraw/zinc/34/76/96/674347696.db2.gz OMDQETCXJVQMDN-UHFFFAOYSA-N 1 1 353.350 2.090 20 5 FEBDMO CCCc1[nH]nc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c1[N+](=O)[O-] ZINC000156302740 545616528 /nfs/dbraw/zinc/61/65/28/545616528.db2.gz GKMCOGIYHIAINK-UHFFFAOYSA-N 1 1 355.358 2.412 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157720143 545774205 /nfs/dbraw/zinc/77/42/05/545774205.db2.gz CUPRYIQALJKDJI-BBRMVZONSA-N 1 1 351.403 2.049 20 5 FEBDMO CCOCCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157720143 545774211 /nfs/dbraw/zinc/77/42/11/545774211.db2.gz CUPRYIQALJKDJI-BBRMVZONSA-N 1 1 351.403 2.049 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000158573996 545873668 /nfs/dbraw/zinc/87/36/68/545873668.db2.gz VBVNWDUAWFUPID-LBPRGKRZSA-N 1 1 371.434 2.371 20 5 FEBDMO COc1ccc([C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])N2CCCCC2)cc1 ZINC000158979034 545910539 /nfs/dbraw/zinc/91/05/39/545910539.db2.gz SCSPOEFZKJMKRF-HNNXBMFYSA-N 1 1 373.413 2.284 20 5 FEBDMO COc1cc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000159414016 545950855 /nfs/dbraw/zinc/95/08/55/545950855.db2.gz JVAYQZGDZQJKAG-HNNXBMFYSA-N 1 1 365.430 2.080 20 5 FEBDMO CN(C)C(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000160741276 546068263 /nfs/dbraw/zinc/06/82/63/546068263.db2.gz MPJASSFGKXIYQN-UHFFFAOYSA-N 1 1 374.363 2.214 20 5 FEBDMO CN(C)C(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000160741276 546068269 /nfs/dbraw/zinc/06/82/69/546068269.db2.gz MPJASSFGKXIYQN-UHFFFAOYSA-N 1 1 374.363 2.214 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000175693705 546335600 /nfs/dbraw/zinc/33/56/00/546335600.db2.gz KEULAKDGLPBSMT-LBPRGKRZSA-N 1 1 354.370 2.163 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000480728218 561215326 /nfs/dbraw/zinc/21/53/26/561215326.db2.gz GDJZWTJKMTUOEW-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000480728218 561215327 /nfs/dbraw/zinc/21/53/27/561215327.db2.gz GDJZWTJKMTUOEW-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO CCC[C@@H](C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000177245730 546578335 /nfs/dbraw/zinc/57/83/35/546578335.db2.gz JQIJSEZSDVQRLR-CQSZACIVSA-N 1 1 355.460 2.398 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000178926230 546874836 /nfs/dbraw/zinc/87/48/36/546874836.db2.gz ABUDMRGVSUMBSF-BBRMVZONSA-N 1 1 353.444 2.008 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2F)[C@H](c2ccccc2)C1 ZINC000481829959 561243466 /nfs/dbraw/zinc/24/34/66/561243466.db2.gz MZBLZMMYPFELSH-WMZOPIPTSA-N 1 1 357.385 2.490 20 5 FEBDMO COCCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000179347906 546937008 /nfs/dbraw/zinc/93/70/08/546937008.db2.gz MULRBOIUQCFCLA-OAHLLOKOSA-N 1 1 365.430 2.359 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000179363807 546940296 /nfs/dbraw/zinc/94/02/96/546940296.db2.gz BOXNRCNNCHZUKY-MRXNPFEDSA-N 1 1 374.441 2.092 20 5 FEBDMO COC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)c1ccccc1 ZINC000181673580 547358007 /nfs/dbraw/zinc/35/80/07/547358007.db2.gz REFIWYCKWREYQW-KRWDZBQOSA-N 1 1 355.394 2.461 20 5 FEBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000181934875 547408565 /nfs/dbraw/zinc/40/85/65/547408565.db2.gz PJQJEJLIHGQGQX-FDQGKXFDSA-N 1 1 352.431 2.470 20 5 FEBDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCN(S(C)(=O)=O)CC1 ZINC000182232003 547457861 /nfs/dbraw/zinc/45/78/61/547457861.db2.gz YJKKFZNFUPWWPU-UHFFFAOYSA-N 1 1 361.851 2.104 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000182537635 547509851 /nfs/dbraw/zinc/50/98/51/547509851.db2.gz RSKJFRPYNMJFFQ-LLVKDONJSA-N 1 1 361.851 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000182537635 547509856 /nfs/dbraw/zinc/50/98/56/547509856.db2.gz RSKJFRPYNMJFFQ-LLVKDONJSA-N 1 1 361.851 2.271 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000183391871 547649675 /nfs/dbraw/zinc/64/96/75/547649675.db2.gz BPOYTPCMPDEINK-INIZCTEOSA-N 1 1 373.384 2.231 20 5 FEBDMO Cc1cc(N2CCC(NC(=O)Nc3ccncc3[N+](=O)[O-])CC2)nc(C)[nH+]1 ZINC000183622472 547691263 /nfs/dbraw/zinc/69/12/63/547691263.db2.gz UNYAUYDRSWBZLC-UHFFFAOYSA-N 1 1 371.401 2.187 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000183933726 547741252 /nfs/dbraw/zinc/74/12/52/547741252.db2.gz HAIXXJXUZXFXHS-LBPRGKRZSA-N 1 1 369.853 2.396 20 5 FEBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000186007780 548072547 /nfs/dbraw/zinc/07/25/47/548072547.db2.gz GLCPTFWGHBLTBZ-IRXDYDNUSA-N 1 1 361.423 2.319 20 5 FEBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000186007780 548072552 /nfs/dbraw/zinc/07/25/52/548072552.db2.gz GLCPTFWGHBLTBZ-IRXDYDNUSA-N 1 1 361.423 2.319 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000485871843 561330594 /nfs/dbraw/zinc/33/05/94/561330594.db2.gz IGGYMRBADSQJHY-ZDUSSCGKSA-N 1 1 364.446 2.467 20 5 FEBDMO Cc1cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000186752949 548185660 /nfs/dbraw/zinc/18/56/60/548185660.db2.gz IPRBBLYBESLMCE-CYBMUJFWSA-N 1 1 350.419 2.212 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000193950556 548411920 /nfs/dbraw/zinc/41/19/20/548411920.db2.gz INGDZCJFYGSANM-AWEZNQCLSA-N 1 1 362.386 2.299 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000486514749 561349522 /nfs/dbraw/zinc/34/95/22/561349522.db2.gz FFHTVZBRHKOMLY-HNNXBMFYSA-N 1 1 350.419 2.085 20 5 FEBDMO CC1([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)OCCO1 ZINC000194626983 548508297 /nfs/dbraw/zinc/50/82/97/548508297.db2.gz HSJGKNMJWQIDAZ-ZDUSSCGKSA-N 1 1 351.359 2.478 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)O1 ZINC000195316616 548620385 /nfs/dbraw/zinc/62/03/85/548620385.db2.gz YERINOLMPXZSJV-OKILXGFUSA-N 1 1 365.430 2.002 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)O1 ZINC000195316616 548620389 /nfs/dbraw/zinc/62/03/89/548620389.db2.gz YERINOLMPXZSJV-OKILXGFUSA-N 1 1 365.430 2.002 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)CCCO1 ZINC000487645077 561373077 /nfs/dbraw/zinc/37/30/77/561373077.db2.gz AWKKRTCWQZHRTB-GFCCVEGCSA-N 1 1 371.384 2.033 20 5 FEBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000487937204 561379201 /nfs/dbraw/zinc/37/92/01/561379201.db2.gz WFUAQIFIFQCKRR-UHFFFAOYSA-N 1 1 372.878 2.139 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000487941472 561379345 /nfs/dbraw/zinc/37/93/45/561379345.db2.gz DFEPDRNAVFNRGB-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000487941472 561379346 /nfs/dbraw/zinc/37/93/46/561379346.db2.gz DFEPDRNAVFNRGB-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000487941472 561379347 /nfs/dbraw/zinc/37/93/47/561379347.db2.gz DFEPDRNAVFNRGB-INIZCTEOSA-N 1 1 364.446 2.204 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000246206417 549077840 /nfs/dbraw/zinc/07/78/40/549077840.db2.gz PAKPJOBDPZFBIK-ZFWWWQNUSA-N 1 1 353.444 2.151 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000246225906 549083720 /nfs/dbraw/zinc/08/37/20/549083720.db2.gz FIDNUDWDQSEAPU-KSSFIOAISA-N 1 1 359.426 2.449 20 5 FEBDMO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000246253220 549089829 /nfs/dbraw/zinc/08/98/29/549089829.db2.gz KCOJQWGSBZXUEE-HUUCEWRRSA-N 1 1 369.487 2.177 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000246713210 549193979 /nfs/dbraw/zinc/19/39/79/549193979.db2.gz JTYVNBDYDPIJRF-GOEBONIOSA-N 1 1 374.441 2.175 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246762979 549206819 /nfs/dbraw/zinc/20/68/19/549206819.db2.gz KIUBCFPDLUNXBZ-DOTOQJQBSA-N 1 1 363.458 2.391 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246802185 549217149 /nfs/dbraw/zinc/21/71/49/549217149.db2.gz JBNASTSNDBIFDA-XJKSGUPXSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000246802185 549217154 /nfs/dbraw/zinc/21/71/54/549217154.db2.gz JBNASTSNDBIFDA-XJKSGUPXSA-N 1 1 353.444 2.156 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246859306 549230083 /nfs/dbraw/zinc/23/00/83/549230083.db2.gz LANZJOJLOAYTCQ-CZUORRHYSA-N 1 1 362.430 2.229 20 5 FEBDMO C[C@H](O)C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000248473688 549447605 /nfs/dbraw/zinc/44/76/05/549447605.db2.gz WWUPUHLZUIOSLY-GOEBONIOSA-N 1 1 352.431 2.350 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248477985 549447800 /nfs/dbraw/zinc/44/78/00/549447800.db2.gz PDWYXOYUEFJHDI-SWLSCSKDSA-N 1 1 371.434 2.147 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000248704187 549487302 /nfs/dbraw/zinc/48/73/02/549487302.db2.gz LNEKNUUMLQBARY-OXQOHEQNSA-N 1 1 370.405 2.466 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000249093929 549550674 /nfs/dbraw/zinc/55/06/74/549550674.db2.gz OJVJNYMPFVQLQH-KBPBESRZSA-N 1 1 355.460 2.135 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000249536768 549601692 /nfs/dbraw/zinc/60/16/92/549601692.db2.gz CRYSSGCYSTVXFB-GXFFZTMASA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000249536768 549601694 /nfs/dbraw/zinc/60/16/94/549601694.db2.gz CRYSSGCYSTVXFB-GXFFZTMASA-N 1 1 360.357 2.450 20 5 FEBDMO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000250114763 549637635 /nfs/dbraw/zinc/63/76/35/549637635.db2.gz UHCKQHAJNRCGSQ-MLGOLLRUSA-N 1 1 357.414 2.081 20 5 FEBDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000250114763 549637638 /nfs/dbraw/zinc/63/76/38/549637638.db2.gz UHCKQHAJNRCGSQ-MLGOLLRUSA-N 1 1 357.414 2.081 20 5 FEBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255553362 549707270 /nfs/dbraw/zinc/70/72/70/549707270.db2.gz UZBUDPOECWFCEM-IOBAAEILSA-N 1 1 367.471 2.402 20 5 FEBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000261907464 549768876 /nfs/dbraw/zinc/76/88/76/549768876.db2.gz HDCUWBVLEDIVGL-MRXNPFEDSA-N 1 1 371.393 2.399 20 5 FEBDMO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC[N@H+]1C ZINC000490290321 561430383 /nfs/dbraw/zinc/43/03/83/561430383.db2.gz HXCSSAZHTIKACZ-HNNXBMFYSA-N 1 1 367.471 2.091 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261513 550042126 /nfs/dbraw/zinc/04/21/26/550042126.db2.gz ZIWOAMYIMKISSM-DYVFJYSZSA-N 1 1 358.442 2.408 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000269015764 550144554 /nfs/dbraw/zinc/14/45/54/550144554.db2.gz ODQUMWXRJMLTDZ-SWLSCSKDSA-N 1 1 351.378 2.055 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cn3ccc4cc([N+](=O)[O-])ccc43)CC[C@@H]21 ZINC000269049942 550149483 /nfs/dbraw/zinc/14/94/83/550149483.db2.gz XOFWPPBKBJETKT-RDJZCZTQSA-N 1 1 356.426 2.492 20 5 FEBDMO C[C@H](NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000271622733 550390581 /nfs/dbraw/zinc/39/05/81/550390581.db2.gz NDUIPLCYCOXYJO-ZNMIVQPWSA-N 1 1 364.446 2.454 20 5 FEBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000272138786 550425183 /nfs/dbraw/zinc/42/51/83/550425183.db2.gz UNDOEQRZARCZTC-UHFFFAOYSA-N 1 1 361.851 2.273 20 5 FEBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 ZINC000272138786 550425184 /nfs/dbraw/zinc/42/51/84/550425184.db2.gz UNDOEQRZARCZTC-UHFFFAOYSA-N 1 1 361.851 2.273 20 5 FEBDMO CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000272252727 550431669 /nfs/dbraw/zinc/43/16/69/550431669.db2.gz CEWIQPLRMUUPEP-MFKMUULPSA-N 1 1 360.357 2.450 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H]2C1 ZINC000272550196 550457490 /nfs/dbraw/zinc/45/74/90/550457490.db2.gz CYJCTYSUUQNRHX-DNVCBOLYSA-N 1 1 372.469 2.364 20 5 FEBDMO COc1cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000273186083 550488843 /nfs/dbraw/zinc/48/88/43/550488843.db2.gz PAQFSSWTSYQLAV-UHFFFAOYSA-N 1 1 366.414 2.241 20 5 FEBDMO COc1cc(C[N@H+]2CCOCC3(CCOCC3)C2)c([N+](=O)[O-])cc1OC ZINC000273186083 550488844 /nfs/dbraw/zinc/48/88/44/550488844.db2.gz PAQFSSWTSYQLAV-UHFFFAOYSA-N 1 1 366.414 2.241 20 5 FEBDMO Cc1nnc([C@@H](C)[N@@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000273924400 550516059 /nfs/dbraw/zinc/51/60/59/550516059.db2.gz BRRBHWLFRCEQPF-LLVKDONJSA-N 1 1 371.401 2.436 20 5 FEBDMO Cc1nnc([C@@H](C)[N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000273924400 550516060 /nfs/dbraw/zinc/51/60/60/550516060.db2.gz BRRBHWLFRCEQPF-LLVKDONJSA-N 1 1 371.401 2.436 20 5 FEBDMO C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000277468241 550674239 /nfs/dbraw/zinc/67/42/39/550674239.db2.gz PJMXNUHHFOTNPD-CABCVRRESA-N 1 1 364.446 2.456 20 5 FEBDMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000278039472 550741846 /nfs/dbraw/zinc/74/18/46/550741846.db2.gz CHSGTSZTOHZMLS-KGLIPLIRSA-N 1 1 358.822 2.094 20 5 FEBDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000278039472 550741847 /nfs/dbraw/zinc/74/18/47/550741847.db2.gz CHSGTSZTOHZMLS-KGLIPLIRSA-N 1 1 358.822 2.094 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000278142862 550754216 /nfs/dbraw/zinc/75/42/16/550754216.db2.gz AGZQNWZPWNHCHW-NEPJUHHUSA-N 1 1 360.418 2.095 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278389200 550780099 /nfs/dbraw/zinc/78/00/99/550780099.db2.gz ZUWOLLCQEPHOFS-GFCCVEGCSA-N 1 1 360.418 2.145 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCO1 ZINC000278549482 550798203 /nfs/dbraw/zinc/79/82/03/550798203.db2.gz OMFKZAPFMNYHFL-GFCCVEGCSA-N 1 1 355.822 2.479 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000278957479 550840259 /nfs/dbraw/zinc/84/02/59/550840259.db2.gz ZNSGTFLHUGDRND-NSHDSACASA-N 1 1 369.368 2.198 20 5 FEBDMO C[C@@H]1C[N@@H+](CCN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000279032375 550848810 /nfs/dbraw/zinc/84/88/10/550848810.db2.gz APYMGJCZHNFWQO-BETUJISGSA-N 1 1 360.414 2.257 20 5 FEBDMO C[C@@H]1C[N@H+](CCN(C)C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1 ZINC000279032375 550848811 /nfs/dbraw/zinc/84/88/11/550848811.db2.gz APYMGJCZHNFWQO-BETUJISGSA-N 1 1 360.414 2.257 20 5 FEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000279436210 550890108 /nfs/dbraw/zinc/89/01/08/550890108.db2.gz ORDZGCQVQTUIOZ-SEJWUHKESA-N 1 1 365.455 2.108 20 5 FEBDMO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000279436210 550890110 /nfs/dbraw/zinc/89/01/10/550890110.db2.gz ORDZGCQVQTUIOZ-SEJWUHKESA-N 1 1 365.455 2.108 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000280153899 550965742 /nfs/dbraw/zinc/96/57/42/550965742.db2.gz RRQMFBVJHXXGEC-QGZVFWFLSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000280246435 550974326 /nfs/dbraw/zinc/97/43/26/550974326.db2.gz BGSMMIDVZRAQRN-KSSFIOAISA-N 1 1 363.414 2.112 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000280289799 550977099 /nfs/dbraw/zinc/97/70/99/550977099.db2.gz FCRZQGXBHRCABH-SFHVURJKSA-N 1 1 366.414 2.252 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000280289799 550977100 /nfs/dbraw/zinc/97/71/00/550977100.db2.gz FCRZQGXBHRCABH-SFHVURJKSA-N 1 1 366.414 2.252 20 5 FEBDMO Nc1c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000280675852 551020205 /nfs/dbraw/zinc/02/02/05/551020205.db2.gz VEGAAFBKCGVMCR-IYBDPMFKSA-N 1 1 366.421 2.381 20 5 FEBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281194528 551072487 /nfs/dbraw/zinc/07/24/87/551072487.db2.gz ORFPMEKEINNASM-VIFPVBQESA-N 1 1 365.814 2.102 20 5 FEBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000281194528 551072488 /nfs/dbraw/zinc/07/24/88/551072488.db2.gz ORFPMEKEINNASM-VIFPVBQESA-N 1 1 365.814 2.102 20 5 FEBDMO Cn1nccc1[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281342920 551086655 /nfs/dbraw/zinc/08/66/55/551086655.db2.gz KAKCGKWZFMXDIJ-GOEBONIOSA-N 1 1 360.414 2.295 20 5 FEBDMO Cn1nccc1[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000281342920 551086656 /nfs/dbraw/zinc/08/66/56/551086656.db2.gz KAKCGKWZFMXDIJ-GOEBONIOSA-N 1 1 360.414 2.295 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283032533 551300698 /nfs/dbraw/zinc/30/06/98/551300698.db2.gz HSNIFVCYFSLNIB-MRXNPFEDSA-N 1 1 350.438 2.336 20 5 FEBDMO O=C1C[C@H]([NH+]2CCC3(CCOCC3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000283947177 551455236 /nfs/dbraw/zinc/45/52/36/551455236.db2.gz MJYRAOMMKGTVII-INIZCTEOSA-N 1 1 373.409 2.119 20 5 FEBDMO CN1CCO[C@@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000283950548 551455950 /nfs/dbraw/zinc/45/59/50/551455950.db2.gz AOKXOEKFDOIOCC-IAGOWNOFSA-N 1 1 372.425 2.197 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(c3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000284650637 551598596 /nfs/dbraw/zinc/59/85/96/551598596.db2.gz WTMHZEXPPBLHKE-UONOGXRCSA-N 1 1 356.220 2.267 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000498566277 561528545 /nfs/dbraw/zinc/52/85/45/561528545.db2.gz DQFWDDXETAGUKE-RYUDHWBXSA-N 1 1 358.398 2.403 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@H]1C ZINC000498582587 561529533 /nfs/dbraw/zinc/52/95/33/561529533.db2.gz DHONXYPGMOSHMI-ZIAGYGMSSA-N 1 1 357.414 2.335 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1OC ZINC000498712315 561532466 /nfs/dbraw/zinc/53/24/66/561532466.db2.gz WZQGNWPYNXGERR-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285714595 551799847 /nfs/dbraw/zinc/79/98/47/551799847.db2.gz UCMOAUGJPZQIJM-JKSUJKDBSA-N 1 1 351.403 2.229 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)[C@@H](C)C1 ZINC000288599863 552182817 /nfs/dbraw/zinc/18/28/17/552182817.db2.gz WIRBJINOYJOSEA-ZDUSSCGKSA-N 1 1 367.471 2.500 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)[C@@H](C)C1 ZINC000288599863 552182819 /nfs/dbraw/zinc/18/28/19/552182819.db2.gz WIRBJINOYJOSEA-ZDUSSCGKSA-N 1 1 367.471 2.500 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290019083 552415025 /nfs/dbraw/zinc/41/50/25/552415025.db2.gz VADFXRIDQKEPSQ-KGLIPLIRSA-N 1 1 366.805 2.131 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000290403216 552473488 /nfs/dbraw/zinc/47/34/88/552473488.db2.gz NIKCHTIKEDCFHI-CYBMUJFWSA-N 1 1 350.419 2.078 20 5 FEBDMO NC(=O)c1ccnc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1[N+](=O)[O-] ZINC000290518477 552491991 /nfs/dbraw/zinc/49/19/91/552491991.db2.gz FZRNNEQQTNHOKQ-HNNXBMFYSA-N 1 1 369.425 2.065 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000500936236 561586052 /nfs/dbraw/zinc/58/60/52/561586052.db2.gz PSPITJIJRSTUBK-GOEBONIOSA-N 1 1 369.487 2.272 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000290739686 552529765 /nfs/dbraw/zinc/52/97/65/552529765.db2.gz XIBAQJQWXIFBCI-CQSZACIVSA-N 1 1 368.503 2.075 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCCN(C)CC[NH+](C)C ZINC000290739686 552529768 /nfs/dbraw/zinc/52/97/68/552529768.db2.gz XIBAQJQWXIFBCI-CQSZACIVSA-N 1 1 368.503 2.075 20 5 FEBDMO C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000290779418 552536731 /nfs/dbraw/zinc/53/67/31/552536731.db2.gz MRHVJIOQLAVMBD-CQSZACIVSA-N 1 1 369.425 2.190 20 5 FEBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000291345707 552616928 /nfs/dbraw/zinc/61/69/28/552616928.db2.gz XOFOMKHTEOUQIK-KRWDZBQOSA-N 1 1 371.441 2.210 20 5 FEBDMO O=C(C[N@@H+]1CCOC[C@@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000292173202 552701126 /nfs/dbraw/zinc/70/11/26/552701126.db2.gz PUACEMSCWOLUOS-INIZCTEOSA-N 1 1 359.426 2.232 20 5 FEBDMO O=C(C[N@H+]1CCOC[C@@H](C2CCC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000292173202 552701128 /nfs/dbraw/zinc/70/11/28/552701128.db2.gz PUACEMSCWOLUOS-INIZCTEOSA-N 1 1 359.426 2.232 20 5 FEBDMO C[C@@H]1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292313620 552715258 /nfs/dbraw/zinc/71/52/58/552715258.db2.gz OLSXUIQBGMXXAU-ZDUSSCGKSA-N 1 1 367.471 2.309 20 5 FEBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@@H+](C2CCC2)C1 ZINC000292323028 552715918 /nfs/dbraw/zinc/71/59/18/552715918.db2.gz OVEJTFIHBLIYOC-CYBMUJFWSA-N 1 1 367.471 2.309 20 5 FEBDMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC[N@H+](C2CCC2)C1 ZINC000292323028 552715919 /nfs/dbraw/zinc/71/59/19/552715919.db2.gz OVEJTFIHBLIYOC-CYBMUJFWSA-N 1 1 367.471 2.309 20 5 FEBDMO CC(C)[C@]1(CO)CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000292962697 552775340 /nfs/dbraw/zinc/77/53/40/552775340.db2.gz FVIVYWVQZBEGBX-CRAIPNDOSA-N 1 1 352.431 2.065 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293334462 552812303 /nfs/dbraw/zinc/81/23/03/552812303.db2.gz MVKIMPYAZFNICR-GDBMZVCRSA-N 1 1 357.410 2.457 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293334462 552812305 /nfs/dbraw/zinc/81/23/05/552812305.db2.gz MVKIMPYAZFNICR-GDBMZVCRSA-N 1 1 357.410 2.457 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293457279 552825803 /nfs/dbraw/zinc/82/58/03/552825803.db2.gz TYIFGENYISYJOK-IBGZPJMESA-N 1 1 374.441 2.094 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+](C2CCC2)C1 ZINC000293727736 552850813 /nfs/dbraw/zinc/85/08/13/552850813.db2.gz QBLPWOLJZSVZDK-LBPRGKRZSA-N 1 1 361.398 2.270 20 5 FEBDMO Cc1nn([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000294128303 552884208 /nfs/dbraw/zinc/88/42/08/552884208.db2.gz FGKPFKIRRLLXEF-GOEBONIOSA-N 1 1 357.414 2.051 20 5 FEBDMO Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1 ZINC000294856962 552939028 /nfs/dbraw/zinc/93/90/28/552939028.db2.gz CTXLERGCLSVORG-CYBMUJFWSA-N 1 1 362.459 2.416 20 5 FEBDMO COC(=O)/C=C/c1ccc(N[C@@H]2CCC[N@@H+](CCCO)C2)c([N+](=O)[O-])c1 ZINC000294877292 552940695 /nfs/dbraw/zinc/94/06/95/552940695.db2.gz DTQJMTUKHQZTQW-PMGBHYCQSA-N 1 1 363.414 2.040 20 5 FEBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000295462928 553010510 /nfs/dbraw/zinc/01/05/10/553010510.db2.gz QHLQPDIQSHJIGG-AEFFLSMTSA-N 1 1 372.425 2.197 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](C/C=C\c4ccccc4)CC3)nn21 ZINC000502359331 561616941 /nfs/dbraw/zinc/61/69/41/561616941.db2.gz XCCFZGYHVXPDMC-DAXSKMNVSA-N 1 1 364.409 2.473 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296145224 553111901 /nfs/dbraw/zinc/11/19/01/553111901.db2.gz SAHIQPRRSNFVGO-ZDUSSCGKSA-N 1 1 365.430 2.415 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296853383 553220765 /nfs/dbraw/zinc/22/07/65/553220765.db2.gz ORZPDUCVSAXQIX-KGLIPLIRSA-N 1 1 364.446 2.142 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000297941946 553360306 /nfs/dbraw/zinc/36/03/06/553360306.db2.gz AJBBCFACBVKEAC-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000298029772 553373945 /nfs/dbraw/zinc/37/39/45/553373945.db2.gz BOOYGEICCAIERG-GFCCVEGCSA-N 1 1 367.402 2.204 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000298029772 553373947 /nfs/dbraw/zinc/37/39/47/553373947.db2.gz BOOYGEICCAIERG-GFCCVEGCSA-N 1 1 367.402 2.204 20 5 FEBDMO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000298094881 553383439 /nfs/dbraw/zinc/38/34/39/553383439.db2.gz QOCCZADPLBVXFF-OAHLLOKOSA-N 1 1 360.838 2.483 20 5 FEBDMO CC(C)OCCOC[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000298094881 553383440 /nfs/dbraw/zinc/38/34/40/553383440.db2.gz QOCCZADPLBVXFF-OAHLLOKOSA-N 1 1 360.838 2.483 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](OC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000298368607 553417552 /nfs/dbraw/zinc/41/75/52/553417552.db2.gz CRSBPZTZSDSBSO-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000298500750 553432993 /nfs/dbraw/zinc/43/29/93/553432993.db2.gz NSDWNZOHWQGDKJ-KBPBESRZSA-N 1 1 363.414 2.359 20 5 FEBDMO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@H+]1CCC[C@H](C)C1 ZINC000298530778 553436520 /nfs/dbraw/zinc/43/65/20/553436520.db2.gz WUQPLTCCWYUYSF-QWHCGFSZSA-N 1 1 363.414 2.216 20 5 FEBDMO O=C(C[NH+]1CCC(c2ccncn2)CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000298553647 553439707 /nfs/dbraw/zinc/43/97/07/553439707.db2.gz YXTPGAATCHVKMO-UHFFFAOYSA-N 1 1 367.409 2.154 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)CC1 ZINC000299234966 553534604 /nfs/dbraw/zinc/53/46/04/553534604.db2.gz UFVAZKXSCXFKTL-AWEZNQCLSA-N 1 1 367.471 2.256 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000299234335 553534629 /nfs/dbraw/zinc/53/46/29/553534629.db2.gz JPHYNYDOIZRTIN-WFASDCNBSA-N 1 1 351.403 2.167 20 5 FEBDMO COCC[N@@H+](CCc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000299414796 553560035 /nfs/dbraw/zinc/56/00/35/553560035.db2.gz QIDLNQSHKSCGIY-UHFFFAOYSA-N 1 1 357.410 2.385 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000299446227 553564329 /nfs/dbraw/zinc/56/43/29/553564329.db2.gz YSLARNJSLWDUDI-GDBMZVCRSA-N 1 1 374.441 2.093 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000299552661 553580081 /nfs/dbraw/zinc/58/00/81/553580081.db2.gz GEFUBDRGEXDAIG-GHMZBOCLSA-N 1 1 368.821 2.128 20 5 FEBDMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc(F)ccc1[N+](=O)[O-] ZINC000299629484 553591668 /nfs/dbraw/zinc/59/16/68/553591668.db2.gz GMVGWNHQNMUPDA-UHFFFAOYSA-N 1 1 373.384 2.496 20 5 FEBDMO C[C@H]1CN(C(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000504414014 561657915 /nfs/dbraw/zinc/65/79/15/561657915.db2.gz AXDFATFPLPENQH-AWEZNQCLSA-N 1 1 363.458 2.176 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CCO1 ZINC000301058045 553618117 /nfs/dbraw/zinc/61/81/17/553618117.db2.gz BCBJZIAKMGUSFB-GFCCVEGCSA-N 1 1 350.375 2.193 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301277140 553638323 /nfs/dbraw/zinc/63/83/23/553638323.db2.gz ZEILLNJCAAPZDG-XQQFMLRXSA-N 1 1 370.475 2.021 20 5 FEBDMO Cc1cc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)ccc1[N+](=O)[O-] ZINC000301410329 553649675 /nfs/dbraw/zinc/64/96/75/553649675.db2.gz ORMSYUGGPMFZKU-SFHVURJKSA-N 1 1 362.474 2.134 20 5 FEBDMO Cc1cc([N+](=O)[O-])cnc1N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000302483472 553718582 /nfs/dbraw/zinc/71/85/82/553718582.db2.gz WYDHGKMADPWONN-IBGZPJMESA-N 1 1 356.426 2.371 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313343728 553757136 /nfs/dbraw/zinc/75/71/36/553757136.db2.gz HVTWUMGSTBGOHD-INIZCTEOSA-N 1 1 361.423 2.238 20 5 FEBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505785904 561680815 /nfs/dbraw/zinc/68/08/15/561680815.db2.gz WUOZLTQPECVHGY-STQMWFEESA-N 1 1 353.394 2.097 20 5 FEBDMO COc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330600850 554143953 /nfs/dbraw/zinc/14/39/53/554143953.db2.gz GAWUBKJXZYHCQV-UWVGGRQHSA-N 1 1 373.356 2.369 20 5 FEBDMO COc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000330600850 554143955 /nfs/dbraw/zinc/14/39/55/554143955.db2.gz GAWUBKJXZYHCQV-UWVGGRQHSA-N 1 1 373.356 2.369 20 5 FEBDMO C[C@H]1C[N@H+](C)CCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000330663334 554153497 /nfs/dbraw/zinc/15/34/97/554153497.db2.gz DWGUSYAXOQOPDY-JTQLQIEISA-N 1 1 361.320 2.312 20 5 FEBDMO C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000330663334 554153501 /nfs/dbraw/zinc/15/35/01/554153501.db2.gz DWGUSYAXOQOPDY-JTQLQIEISA-N 1 1 361.320 2.312 20 5 FEBDMO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CCN(C)CC1 ZINC000509006075 561781106 /nfs/dbraw/zinc/78/11/06/561781106.db2.gz ILTRPJPSKMWBFY-ZDUSSCGKSA-N 1 1 368.428 2.473 20 5 FEBDMO C[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@H+]1C1CCN(C)CC1 ZINC000509006075 561781107 /nfs/dbraw/zinc/78/11/07/561781107.db2.gz ILTRPJPSKMWBFY-ZDUSSCGKSA-N 1 1 368.428 2.473 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000331294785 554242873 /nfs/dbraw/zinc/24/28/73/554242873.db2.gz RQBFYKONFAEHBB-UHFFFAOYSA-N 1 1 355.460 2.136 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000331323767 554246993 /nfs/dbraw/zinc/24/69/93/554246993.db2.gz MPMLOSKBMIMAFF-CMPLNLGQSA-N 1 1 370.247 2.499 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331365252 554251356 /nfs/dbraw/zinc/25/13/56/554251356.db2.gz CYDCARVEXIRORT-LSDHHAIUSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331365252 554251360 /nfs/dbraw/zinc/25/13/60/554251360.db2.gz CYDCARVEXIRORT-LSDHHAIUSA-N 1 1 374.441 2.256 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331365650 554251709 /nfs/dbraw/zinc/25/17/09/554251709.db2.gz DLXREKDLETYSGF-OAHLLOKOSA-N 1 1 374.441 2.176 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331365650 554251711 /nfs/dbraw/zinc/25/17/11/554251711.db2.gz DLXREKDLETYSGF-OAHLLOKOSA-N 1 1 374.441 2.176 20 5 FEBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520017 554279132 /nfs/dbraw/zinc/27/91/32/554279132.db2.gz NUYCXRTVLFRSQM-RNCFNFMXSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000331520017 554279134 /nfs/dbraw/zinc/27/91/34/554279134.db2.gz NUYCXRTVLFRSQM-RNCFNFMXSA-N 1 1 359.835 2.009 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@](O)(C(=O)N2CCCC2)C1 ZINC000331736618 554318501 /nfs/dbraw/zinc/31/85/01/554318501.db2.gz UEVYCOICDGLMPM-DNVCBOLYSA-N 1 1 361.442 2.414 20 5 FEBDMO CNc1cc2c(nn1)CC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C2 ZINC000609271169 554355008 /nfs/dbraw/zinc/35/50/08/554355008.db2.gz WPTHOWQOACORKX-UHFFFAOYSA-N 1 1 370.413 2.122 20 5 FEBDMO Cc1ccnc(NCCCN2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000609669807 554409265 /nfs/dbraw/zinc/40/92/65/554409265.db2.gz IDIWMNUNOUGQCC-UHFFFAOYSA-N 1 1 356.430 2.317 20 5 FEBDMO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000332569881 554473649 /nfs/dbraw/zinc/47/36/49/554473649.db2.gz CTKVTTIDMUNNHL-NSHDSACASA-N 1 1 373.331 2.456 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000332583777 554476541 /nfs/dbraw/zinc/47/65/41/554476541.db2.gz AUISYFIOZJGIBH-AWEZNQCLSA-N 1 1 364.446 2.408 20 5 FEBDMO C[C@H](NC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000332583777 554476543 /nfs/dbraw/zinc/47/65/43/554476543.db2.gz AUISYFIOZJGIBH-AWEZNQCLSA-N 1 1 364.446 2.408 20 5 FEBDMO Cc1sc(S(=O)(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000510533481 561838173 /nfs/dbraw/zinc/83/81/73/561838173.db2.gz KTVHURLNNRARRU-CMPLNLGQSA-N 1 1 359.473 2.212 20 5 FEBDMO CC(=O)N1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000360339631 554871369 /nfs/dbraw/zinc/87/13/69/554871369.db2.gz WXZSHCBSDDYLEC-GOSISDBHSA-N 1 1 361.442 2.495 20 5 FEBDMO CC(=O)N1CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC12CCCCC2 ZINC000360339631 554871370 /nfs/dbraw/zinc/87/13/70/554871370.db2.gz WXZSHCBSDDYLEC-GOSISDBHSA-N 1 1 361.442 2.495 20 5 FEBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000360341234 554871695 /nfs/dbraw/zinc/87/16/95/554871695.db2.gz DJLJDBRAECIXAO-OAHLLOKOSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000360341234 554871697 /nfs/dbraw/zinc/87/16/97/554871697.db2.gz DJLJDBRAECIXAO-OAHLLOKOSA-N 1 1 365.411 2.108 20 5 FEBDMO COc1ccc(C[C@@H]2CCC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000360408742 554874263 /nfs/dbraw/zinc/87/42/63/554874263.db2.gz YTJHHENMADNXIP-WMZOPIPTSA-N 1 1 374.441 2.116 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000361026797 554901013 /nfs/dbraw/zinc/90/10/13/554901013.db2.gz CDVULCZZYZFKAG-KKUMJFAQSA-N 1 1 365.455 2.008 20 5 FEBDMO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000361105898 554904588 /nfs/dbraw/zinc/90/45/88/554904588.db2.gz SXFLIOKAGYWROQ-NWANDNLSSA-N 1 1 360.414 2.087 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361366907 554918981 /nfs/dbraw/zinc/91/89/81/554918981.db2.gz UUTMFMRWADNCEP-CZUORRHYSA-N 1 1 355.398 2.303 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000361366907 554918983 /nfs/dbraw/zinc/91/89/83/554918983.db2.gz UUTMFMRWADNCEP-CZUORRHYSA-N 1 1 355.398 2.303 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361813393 554936081 /nfs/dbraw/zinc/93/60/81/554936081.db2.gz MLZCYNARBIPZAC-GHMZBOCLSA-N 1 1 364.358 2.328 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000362061404 554946738 /nfs/dbraw/zinc/94/67/38/554946738.db2.gz JTUXNCJVYWHDLY-STQMWFEESA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000362061404 554946739 /nfs/dbraw/zinc/94/67/39/554946739.db2.gz JTUXNCJVYWHDLY-STQMWFEESA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc(F)c1F)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363118389 555034579 /nfs/dbraw/zinc/03/45/79/555034579.db2.gz XHYCJZPRJIRTFP-VZJVUDMVSA-N 1 1 351.353 2.429 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000363558482 555136436 /nfs/dbraw/zinc/13/64/36/555136436.db2.gz SAKFQFUUDMHFTR-BPUTZDHNSA-N 1 1 365.455 2.008 20 5 FEBDMO [NH3+][C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1c1ccc(F)cc1 ZINC000363745792 555177600 /nfs/dbraw/zinc/17/76/00/555177600.db2.gz PVUASLGEKNXKJV-CABCVRRESA-N 1 1 369.356 2.177 20 5 FEBDMO O=C(C[N@H+]1CC[C@H](Cc2ccncc2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000364042490 555238895 /nfs/dbraw/zinc/23/88/95/555238895.db2.gz FDXCCEGOHFGMDR-MRXNPFEDSA-N 1 1 366.421 2.444 20 5 FEBDMO CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000364341606 555294980 /nfs/dbraw/zinc/29/49/80/555294980.db2.gz UKMCXWHZFHGRDF-LSDHHAIUSA-N 1 1 351.451 2.462 20 5 FEBDMO CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000364341606 555294981 /nfs/dbraw/zinc/29/49/81/555294981.db2.gz UKMCXWHZFHGRDF-LSDHHAIUSA-N 1 1 351.451 2.462 20 5 FEBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000512458171 561905858 /nfs/dbraw/zinc/90/58/58/561905858.db2.gz YSFXABBFJOVFRO-GOEBONIOSA-N 1 1 361.442 2.499 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364632364 555358052 /nfs/dbraw/zinc/35/80/52/555358052.db2.gz QJBJBONVONHYJM-UHFFFAOYSA-N 1 1 350.419 2.214 20 5 FEBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000364953829 555448510 /nfs/dbraw/zinc/44/85/10/555448510.db2.gz UNHZFYSWWHAHKG-VQFNDLOPSA-N 1 1 352.394 2.037 20 5 FEBDMO C[NH+]1CCN(C[C@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000365142115 555494003 /nfs/dbraw/zinc/49/40/03/555494003.db2.gz PBDZYNDCJYVLOV-OAHLLOKOSA-N 1 1 361.446 2.086 20 5 FEBDMO Cn1nccc1[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163020 555498987 /nfs/dbraw/zinc/49/89/87/555498987.db2.gz NBLOSKRXFXPBPB-KSSFIOAISA-N 1 1 369.425 2.313 20 5 FEBDMO Cn1nccc1[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000365163020 555498989 /nfs/dbraw/zinc/49/89/89/555498989.db2.gz NBLOSKRXFXPBPB-KSSFIOAISA-N 1 1 369.425 2.313 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CC3CCC4(CC3)OCCO4)C2)c1 ZINC000365170581 555500983 /nfs/dbraw/zinc/50/09/83/555500983.db2.gz LJESDQBNDKFSAY-OAHLLOKOSA-N 1 1 350.419 2.362 20 5 FEBDMO CC(C)NC(=O)C[N@@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000365361083 555553553 /nfs/dbraw/zinc/55/35/53/555553553.db2.gz HRJCLQHIXKZVFY-UHFFFAOYSA-N 1 1 368.865 2.281 20 5 FEBDMO CC(C)NC(=O)C[N@H+]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000365361083 555553557 /nfs/dbraw/zinc/55/35/57/555553557.db2.gz HRJCLQHIXKZVFY-UHFFFAOYSA-N 1 1 368.865 2.281 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000365776819 555665586 /nfs/dbraw/zinc/66/55/86/555665586.db2.gz DGCAQHISYMWSSM-HIFRSBDPSA-N 1 1 360.345 2.010 20 5 FEBDMO CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366567401 555877938 /nfs/dbraw/zinc/87/79/38/555877938.db2.gz CQUUFOUFSDCCMG-KDOFPFPSSA-N 1 1 366.414 2.252 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000366567401 555877940 /nfs/dbraw/zinc/87/79/40/555877940.db2.gz CQUUFOUFSDCCMG-KDOFPFPSSA-N 1 1 366.414 2.252 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000366617156 555891766 /nfs/dbraw/zinc/89/17/66/555891766.db2.gz DGKRLSDLILAPTM-UHFFFAOYSA-N 1 1 374.397 2.751 20 5 FEBDMO O=C([C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1)N1CCCCC1 ZINC000366657698 555901135 /nfs/dbraw/zinc/90/11/35/555901135.db2.gz SEJQKAXKGUHJBY-FUHWJXTLSA-N 1 1 361.442 2.353 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000514208770 561963718 /nfs/dbraw/zinc/96/37/18/561963718.db2.gz OODOPUHLUYTODG-LBPRGKRZSA-N 1 1 373.356 2.037 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000367426437 556045310 /nfs/dbraw/zinc/04/53/10/556045310.db2.gz OPRZWJNYDGCEOL-AWEZNQCLSA-N 1 1 354.838 2.067 20 5 FEBDMO O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CC[NH2+]C[C@H]1C(F)F ZINC000367997443 556191096 /nfs/dbraw/zinc/19/10/96/556191096.db2.gz LQSXZSXPSIOQKM-KRWDZBQOSA-N 1 1 371.387 2.220 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368003751 556192487 /nfs/dbraw/zinc/19/24/87/556192487.db2.gz AMFKCENGGLAWLH-SZVBFZGTSA-N 1 1 372.425 2.345 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000368375605 556291586 /nfs/dbraw/zinc/29/15/86/556291586.db2.gz WUYJMYATQDGJGM-KGLIPLIRSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000368375605 556291581 /nfs/dbraw/zinc/29/15/81/556291581.db2.gz WUYJMYATQDGJGM-KGLIPLIRSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)c1cc(N2CCC[N@@H+](CC(C)(C)O)CC2)ccc1[N+](=O)[O-] ZINC000368717859 556396594 /nfs/dbraw/zinc/39/65/94/556396594.db2.gz CJRFPXDYKBAKOT-UHFFFAOYSA-N 1 1 365.430 2.055 20 5 FEBDMO CC[C@H]1CCCC[N@@H+]1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467796 562011682 /nfs/dbraw/zinc/01/16/82/562011682.db2.gz OXGDXPYGAJGNAZ-HOTGVXAUSA-N 1 1 351.447 2.189 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467796 562011683 /nfs/dbraw/zinc/01/16/83/562011683.db2.gz OXGDXPYGAJGNAZ-HOTGVXAUSA-N 1 1 351.447 2.189 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368964391 556461012 /nfs/dbraw/zinc/46/10/12/556461012.db2.gz FZEYZTGEUIMMBH-DZGBDDFRSA-N 1 1 371.397 2.292 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368964391 556461015 /nfs/dbraw/zinc/46/10/15/556461015.db2.gz FZEYZTGEUIMMBH-DZGBDDFRSA-N 1 1 371.397 2.292 20 5 FEBDMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017832 556477187 /nfs/dbraw/zinc/47/71/87/556477187.db2.gz JBPSBTNQQBFLJH-WBVHZDCISA-N 1 1 371.441 2.475 20 5 FEBDMO C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369017832 556477192 /nfs/dbraw/zinc/47/71/92/556477192.db2.gz JBPSBTNQQBFLJH-WBVHZDCISA-N 1 1 371.441 2.475 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274701 556560128 /nfs/dbraw/zinc/56/01/28/556560128.db2.gz RJUCBKMPDJSCMV-CYBMUJFWSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000369274701 556560130 /nfs/dbraw/zinc/56/01/30/556560130.db2.gz RJUCBKMPDJSCMV-CYBMUJFWSA-N 1 1 366.849 2.147 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)c(Cl)c1 ZINC000369349105 556576464 /nfs/dbraw/zinc/57/64/64/556576464.db2.gz XBCJOMLHYAKCGJ-ZDUSSCGKSA-N 1 1 354.838 2.067 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(N3C[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]4C3)nn21 ZINC000369530773 556622496 /nfs/dbraw/zinc/62/24/96/556622496.db2.gz IKJCNWXYNLKPDO-IYBDPMFKSA-N 1 1 364.409 2.206 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369669369 556664481 /nfs/dbraw/zinc/66/44/81/556664481.db2.gz ZOXUWLPXDLPHMH-JQHSSLGASA-N 1 1 358.442 2.263 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000369721391 556677876 /nfs/dbraw/zinc/67/78/76/556677876.db2.gz DQPXCONIIGYFBU-KBMXLJTQSA-N 1 1 373.457 2.450 20 5 FEBDMO Cn1cc(C[C@H]2CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000370013397 556757730 /nfs/dbraw/zinc/75/77/30/556757730.db2.gz VWYKGHVWVLAOAM-CQSZACIVSA-N 1 1 357.414 2.222 20 5 FEBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000516617688 562050755 /nfs/dbraw/zinc/05/07/55/562050755.db2.gz YDWUATRAYNHZDO-CQSZACIVSA-N 1 1 368.459 2.065 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)c1[N+](=O)[O-] ZINC000370350146 556847326 /nfs/dbraw/zinc/84/73/26/556847326.db2.gz UGSMCMANRGFJRE-ZDUSSCGKSA-N 1 1 360.418 2.434 20 5 FEBDMO CCc1nc(CN2C[C@@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4C)C[C@@H]3C2)no1 ZINC000370744680 556955890 /nfs/dbraw/zinc/95/58/90/556955890.db2.gz IGPNZMBZZHUOPA-IYBDPMFKSA-N 1 1 371.441 2.412 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000370908245 557011059 /nfs/dbraw/zinc/01/10/59/557011059.db2.gz AOXKPKCGJLQMDQ-RDTXWAMCSA-N 1 1 371.441 2.450 20 5 FEBDMO CSc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371283162 557130706 /nfs/dbraw/zinc/13/07/06/557130706.db2.gz GZQWGHVJFWVVIH-KBPBESRZSA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1ccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000371283162 557130707 /nfs/dbraw/zinc/13/07/07/557130707.db2.gz GZQWGHVJFWVVIH-KBPBESRZSA-N 1 1 365.455 2.300 20 5 FEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1c1ccc(C(=O)NC)cc1[N+](=O)[O-] ZINC000371866628 557314516 /nfs/dbraw/zinc/31/45/16/557314516.db2.gz NULQMZAFQKSXNO-CQSZACIVSA-N 1 1 357.414 2.382 20 5 FEBDMO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000372170380 557399037 /nfs/dbraw/zinc/39/90/37/557399037.db2.gz RLAQMPOWSVALHE-CABCVRRESA-N 1 1 358.398 2.107 20 5 FEBDMO COC(=O)[C@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000372170380 557399041 /nfs/dbraw/zinc/39/90/41/557399041.db2.gz RLAQMPOWSVALHE-CABCVRRESA-N 1 1 358.398 2.107 20 5 FEBDMO COc1cc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000519025912 562123544 /nfs/dbraw/zinc/12/35/44/562123544.db2.gz TXTRTLRADCIIFM-LLVKDONJSA-N 1 1 373.356 2.435 20 5 FEBDMO COc1cc(C[N@H+]2CCCC[C@H]2CC(N)=O)c([N+](=O)[O-])cc1OC(F)F ZINC000519025913 562123588 /nfs/dbraw/zinc/12/35/88/562123588.db2.gz TXTRTLRADCIIFM-NSHDSACASA-N 1 1 373.356 2.435 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000373396127 557686405 /nfs/dbraw/zinc/68/64/05/557686405.db2.gz SQWYDAYUSHBXJZ-UHFFFAOYSA-N 1 1 354.370 2.084 20 5 FEBDMO COc1cc(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)cc([N+](=O)[O-])c1C ZINC000373513582 557708802 /nfs/dbraw/zinc/70/88/02/557708802.db2.gz GHOJBTIVRJXASC-UHFFFAOYSA-N 1 1 373.413 2.044 20 5 FEBDMO COC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000373582358 557722542 /nfs/dbraw/zinc/72/25/42/557722542.db2.gz GZLKWIZPNNBGAT-AWEZNQCLSA-N 1 1 374.397 2.294 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000373762552 557753787 /nfs/dbraw/zinc/75/37/87/557753787.db2.gz XAYHHVBONZEGDH-RDJZCZTQSA-N 1 1 360.414 2.425 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cn1 ZINC000373789326 557759802 /nfs/dbraw/zinc/75/98/02/557759802.db2.gz WLFUYKAMFVJVFS-QGZVFWFLSA-N 1 1 370.409 2.011 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc([N+](=O)[O-])cn1 ZINC000373789325 557759816 /nfs/dbraw/zinc/75/98/16/557759816.db2.gz WLFUYKAMFVJVFS-KRWDZBQOSA-N 1 1 370.409 2.011 20 5 FEBDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000373809057 557764025 /nfs/dbraw/zinc/76/40/25/557764025.db2.gz HQOHMUWKKAMYSF-RDTXWAMCSA-N 1 1 363.414 2.193 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000373894482 557781781 /nfs/dbraw/zinc/78/17/81/557781781.db2.gz SCZFALOJINYKLY-YGRLFVJLSA-N 1 1 362.411 2.180 20 5 FEBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000374009034 557806819 /nfs/dbraw/zinc/80/68/19/557806819.db2.gz VDHYVFZBTCSCRQ-LBPRGKRZSA-N 1 1 358.402 2.250 20 5 FEBDMO C[C@]1(C2CC[NH+](Cc3ccc(Cl)cc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000374200174 557842543 /nfs/dbraw/zinc/84/25/43/557842543.db2.gz ADMUKIIWPYWXAW-MRXNPFEDSA-N 1 1 366.805 2.058 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](OC)CC1 ZINC000374659533 557913134 /nfs/dbraw/zinc/91/31/34/557913134.db2.gz DAPWAHNKEMUOEP-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)n1 ZINC000374867337 557943065 /nfs/dbraw/zinc/94/30/65/557943065.db2.gz CKIXPPCOSOLYET-UHFFFAOYSA-N 1 1 370.335 2.027 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1SC ZINC000375066557 557972900 /nfs/dbraw/zinc/97/29/00/557972900.db2.gz RWPQNRNQCBVEQR-SMDDNHRTSA-N 1 1 365.455 2.492 20 5 FEBDMO C[C@@H]1[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000375242003 557996987 /nfs/dbraw/zinc/99/69/87/557996987.db2.gz MKTHLWKTPRTLCV-LSDHHAIUSA-N 1 1 350.415 2.226 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375277889 558003050 /nfs/dbraw/zinc/00/30/50/558003050.db2.gz KBFFHEUWWPOZKN-GOSISDBHSA-N 1 1 363.414 2.435 20 5 FEBDMO CSc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000375331670 558010243 /nfs/dbraw/zinc/01/02/43/558010243.db2.gz IXMLKWCRQURBFO-OLZOCXBDSA-N 1 1 365.455 2.300 20 5 FEBDMO CSc1cccc(C(=O)NC[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000375331670 558010244 /nfs/dbraw/zinc/01/02/44/558010244.db2.gz IXMLKWCRQURBFO-OLZOCXBDSA-N 1 1 365.455 2.300 20 5 FEBDMO Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000375339039 558011586 /nfs/dbraw/zinc/01/15/86/558011586.db2.gz VTYBCNMYPVQIQV-LLVKDONJSA-N 1 1 358.358 2.255 20 5 FEBDMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)n1 ZINC000375339039 558011588 /nfs/dbraw/zinc/01/15/88/558011588.db2.gz VTYBCNMYPVQIQV-LLVKDONJSA-N 1 1 358.358 2.255 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000375403400 558021494 /nfs/dbraw/zinc/02/14/94/558021494.db2.gz MLZPBEBVGBGOJO-INIZCTEOSA-N 1 1 369.425 2.408 20 5 FEBDMO Cc1nc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000375762157 558078728 /nfs/dbraw/zinc/07/87/28/558078728.db2.gz HNXFWGCBOXFRGD-ZDUSSCGKSA-N 1 1 359.386 2.494 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000376827321 558226464 /nfs/dbraw/zinc/22/64/64/558226464.db2.gz HUPCXXBULSDLAX-WMLDXEAASA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000376827321 558226465 /nfs/dbraw/zinc/22/64/65/558226465.db2.gz HUPCXXBULSDLAX-WMLDXEAASA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000376971118 558246389 /nfs/dbraw/zinc/24/63/89/558246389.db2.gz FVIBRDMQGJPABW-LRDDRELGSA-N 1 1 350.394 2.089 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]21 ZINC000376971120 558246478 /nfs/dbraw/zinc/24/64/78/558246478.db2.gz FVIBRDMQGJPABW-WBMJQRKESA-N 1 1 350.394 2.089 20 5 FEBDMO CC(=O)NCC[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000521988376 562188190 /nfs/dbraw/zinc/18/81/90/562188190.db2.gz JCSUETVFTKNLHB-HNNXBMFYSA-N 1 1 362.430 2.080 20 5 FEBDMO CC(=O)NCC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000521988376 562188191 /nfs/dbraw/zinc/18/81/91/562188191.db2.gz JCSUETVFTKNLHB-HNNXBMFYSA-N 1 1 362.430 2.080 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000377168188 558280981 /nfs/dbraw/zinc/28/09/81/558280981.db2.gz JTJCGVYESSRDBF-COXVUDFISA-N 1 1 374.441 2.350 20 5 FEBDMO COc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378304027 558524645 /nfs/dbraw/zinc/52/46/45/558524645.db2.gz FSLLKHOCRXAVSU-HZPDHXFCSA-N 1 1 355.394 2.431 20 5 FEBDMO COc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000378304028 558524840 /nfs/dbraw/zinc/52/48/40/558524840.db2.gz FSLLKHOCRXAVSU-JKSUJKDBSA-N 1 1 355.394 2.431 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000378491691 558568569 /nfs/dbraw/zinc/56/85/69/558568569.db2.gz FWXVEMZDRYBYCP-UHFFFAOYSA-N 1 1 373.394 2.426 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000523905358 562221452 /nfs/dbraw/zinc/22/14/52/562221452.db2.gz OVKHKXFWDUUZJR-CQSZACIVSA-N 1 1 350.419 2.133 20 5 FEBDMO Cc1cc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408223146 558658367 /nfs/dbraw/zinc/65/83/67/558658367.db2.gz CZFMHZWNNIJWTG-UONOGXRCSA-N 1 1 356.220 2.185 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000524780775 562234572 /nfs/dbraw/zinc/23/45/72/562234572.db2.gz NAAUPNAYQNUFEF-HIFRSBDPSA-N 1 1 350.419 2.098 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000524871856 562236445 /nfs/dbraw/zinc/23/64/45/562236445.db2.gz MQJKAPPVFMKFMI-GXTWGEPZSA-N 1 1 355.460 2.397 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000525105925 562240671 /nfs/dbraw/zinc/24/06/71/562240671.db2.gz BYPVXSXDDJIIMZ-NXEZZACHSA-N 1 1 373.356 2.417 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000525385598 562247077 /nfs/dbraw/zinc/24/70/77/562247077.db2.gz CJSBUOTVBNKJHG-ZIAGYGMSSA-N 1 1 355.460 2.397 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000411626473 558931618 /nfs/dbraw/zinc/93/16/18/558931618.db2.gz WTMYHNAUXKJHMH-HEHGZKQESA-N 1 1 365.430 2.413 20 5 FEBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411776841 558960715 /nfs/dbraw/zinc/96/07/15/558960715.db2.gz YFAITWJXSRKYFA-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCc2c(cnn2C)C1 ZINC000411845267 558975119 /nfs/dbraw/zinc/97/51/19/558975119.db2.gz DVWQFUSZNDHDNB-UHFFFAOYSA-N 1 1 373.413 2.114 20 5 FEBDMO CN(C(=O)C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000411951755 558993942 /nfs/dbraw/zinc/99/39/42/558993942.db2.gz SCTBBFBADQOJFY-MSOLQXFVSA-N 1 1 355.394 2.366 20 5 FEBDMO CN(C(=O)C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000411951755 558993943 /nfs/dbraw/zinc/99/39/43/558993943.db2.gz SCTBBFBADQOJFY-MSOLQXFVSA-N 1 1 355.394 2.366 20 5 FEBDMO CC(C)[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCC(=O)N1 ZINC000412083284 559011008 /nfs/dbraw/zinc/01/10/08/559011008.db2.gz PSSHMTVDTNRELC-ZDUSSCGKSA-N 1 1 359.386 2.134 20 5 FEBDMO CC(C)[N@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C[C@@H]1CCC(=O)N1 ZINC000412083284 559011009 /nfs/dbraw/zinc/01/10/09/559011009.db2.gz PSSHMTVDTNRELC-ZDUSSCGKSA-N 1 1 359.386 2.134 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1F ZINC000412133903 559016106 /nfs/dbraw/zinc/01/61/06/559016106.db2.gz ZGLKDYLSPQHUGA-STQMWFEESA-N 1 1 365.405 2.370 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1F ZINC000412186459 559019031 /nfs/dbraw/zinc/01/90/31/559019031.db2.gz SCFFZJLZGGYJEP-AAEUAGOBSA-N 1 1 353.394 2.130 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1F ZINC000413630161 559121280 /nfs/dbraw/zinc/12/12/80/559121280.db2.gz KIRGPNWCEHBMDH-JSGCOSHPSA-N 1 1 365.405 2.228 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000414554238 559171291 /nfs/dbraw/zinc/17/12/91/559171291.db2.gz GQUSEDJAEZXFOJ-QGZVFWFLSA-N 1 1 352.387 2.387 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000414554238 559171293 /nfs/dbraw/zinc/17/12/93/559171293.db2.gz GQUSEDJAEZXFOJ-QGZVFWFLSA-N 1 1 352.387 2.387 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000414652034 559177247 /nfs/dbraw/zinc/17/72/47/559177247.db2.gz CXAAJWQTXBYJAB-UHFFFAOYSA-N 1 1 361.446 2.241 20 5 FEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000527183088 562279363 /nfs/dbraw/zinc/27/93/63/562279363.db2.gz UPBDQJIKPXJZFB-SFHVURJKSA-N 1 1 359.357 2.309 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[NH+](CC(C)C)CC2)c(C)cc1[N+](=O)[O-] ZINC000416372404 559308192 /nfs/dbraw/zinc/30/81/92/559308192.db2.gz NIBLHKUUYPMCMY-UHFFFAOYSA-N 1 1 355.460 2.174 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000419505456 559445474 /nfs/dbraw/zinc/44/54/74/559445474.db2.gz VSAZXWXPFLNZPM-KFWWJZLASA-N 1 1 364.446 2.061 20 5 FEBDMO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423964825 559648332 /nfs/dbraw/zinc/64/83/32/559648332.db2.gz HAZBIJBXVIZIFX-MRXNPFEDSA-N 1 1 358.423 2.255 20 5 FEBDMO CSc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000423979468 559648767 /nfs/dbraw/zinc/64/87/67/559648767.db2.gz XSYXVAOSHJHXQB-OAHLLOKOSA-N 1 1 358.423 2.498 20 5 FEBDMO COc1cc(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)cc([N+](=O)[O-])c1OC ZINC000425310836 559695953 /nfs/dbraw/zinc/69/59/53/559695953.db2.gz YOJJERNCLNYXDU-UHFFFAOYSA-N 1 1 374.397 2.430 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425430185 559702081 /nfs/dbraw/zinc/70/20/81/559702081.db2.gz DMXMRRJYNUZCKL-VXGBXAGGSA-N 1 1 372.263 2.244 20 5 FEBDMO CCNc1ccc(C(=O)N2CC[NH+](C(C)(C)COC)CC2)cc1[N+](=O)[O-] ZINC000425626347 559712040 /nfs/dbraw/zinc/71/20/40/559712040.db2.gz YGMGSOSRCSZRSZ-UHFFFAOYSA-N 1 1 364.446 2.209 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000427490927 559756609 /nfs/dbraw/zinc/75/66/09/559756609.db2.gz QGPQCLQFZCKOQL-GFCCVEGCSA-N 1 1 355.460 2.138 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(NCc3ccccc3C[NH+]3CCOCC3)nc2c1 ZINC000427988430 559767062 /nfs/dbraw/zinc/76/70/62/559767062.db2.gz DQVLTKCPFOWVAT-UHFFFAOYSA-N 1 1 367.409 2.337 20 5 FEBDMO Nc1c(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cc(F)cc1[N+](=O)[O-] ZINC000428527965 559777346 /nfs/dbraw/zinc/77/73/46/559777346.db2.gz ZAMDVXMKVQWXLX-AWEZNQCLSA-N 1 1 374.372 2.135 20 5 FEBDMO COC(=O)[C@H](CC(C)C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429175499 559792371 /nfs/dbraw/zinc/79/23/71/559792371.db2.gz UALMFLZCWMAHFN-HNNXBMFYSA-N 1 1 351.403 2.443 20 5 FEBDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000429175499 559792372 /nfs/dbraw/zinc/79/23/72/559792372.db2.gz UALMFLZCWMAHFN-HNNXBMFYSA-N 1 1 351.403 2.443 20 5 FEBDMO CC(C)([NH2+]CC(=O)NCC(=O)c1cccs1)c1ccccc1[N+](=O)[O-] ZINC000429239810 559793476 /nfs/dbraw/zinc/79/34/76/559793476.db2.gz VGSCYJSHBGLCEP-UHFFFAOYSA-N 1 1 361.423 2.480 20 5 FEBDMO C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC[N@H+](C2CCC2)C1 ZINC000429389406 559797440 /nfs/dbraw/zinc/79/74/40/559797440.db2.gz YFDFVIQUQBKWMM-HNNXBMFYSA-N 1 1 372.469 2.290 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000429925786 559808886 /nfs/dbraw/zinc/80/88/86/559808886.db2.gz NSLKYAPMKVMOFP-GASCZTMLSA-N 1 1 363.458 2.488 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000440354734 560009397 /nfs/dbraw/zinc/00/93/97/560009397.db2.gz LIIRTSQHHAVZAS-QMMMGPOBSA-N 1 1 368.242 2.180 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000440468456 560011598 /nfs/dbraw/zinc/01/15/98/560011598.db2.gz XOEFGRQGYVPHSJ-LJQANCHMSA-N 1 1 371.393 2.102 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000440480005 560011920 /nfs/dbraw/zinc/01/19/20/560011920.db2.gz UISMXYZCTUFURL-LJQANCHMSA-N 1 1 371.393 2.102 20 5 FEBDMO CCOC(=O)[C@@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000441248916 560027052 /nfs/dbraw/zinc/02/70/52/560027052.db2.gz WUOAPVCWLBYTGH-CYBMUJFWSA-N 1 1 352.387 2.257 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000443765911 560092061 /nfs/dbraw/zinc/09/20/61/560092061.db2.gz TZYLUFWWPMNYPF-ZFWWWQNUSA-N 1 1 355.460 2.229 20 5 FEBDMO CCC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1CCOC ZINC000444689925 560118209 /nfs/dbraw/zinc/11/82/09/560118209.db2.gz POFMXXXCAMZMDW-OAHLLOKOSA-N 1 1 361.446 2.404 20 5 FEBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000447078669 560156264 /nfs/dbraw/zinc/15/62/64/560156264.db2.gz UYIBHQIRYAZMST-OPOMHPNASA-N 1 1 364.442 2.344 20 5 FEBDMO O=[N+]([O-])c1ccc(CN2CCOCC2)cc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000447807445 560169618 /nfs/dbraw/zinc/16/96/18/560169618.db2.gz ROBVXLRIEMPJGV-DLBZAZTESA-N 1 1 360.458 2.466 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447812718 560169716 /nfs/dbraw/zinc/16/97/16/560169716.db2.gz SIXWYJHMPVVZMP-OAHLLOKOSA-N 1 1 370.475 2.035 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])c(-n2ccnc2)c1)N1CC[NH+](C2CCC2)CC1 ZINC000448981929 560210215 /nfs/dbraw/zinc/21/02/15/560210215.db2.gz IOPDDNGVERWJDG-UHFFFAOYSA-N 1 1 355.398 2.091 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449773179 560239725 /nfs/dbraw/zinc/23/97/25/560239725.db2.gz JOBVYHVMUQABNZ-JQWIXIFHSA-N 1 1 360.357 2.450 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H](C)C[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449773179 560239726 /nfs/dbraw/zinc/23/97/26/560239726.db2.gz JOBVYHVMUQABNZ-JQWIXIFHSA-N 1 1 360.357 2.450 20 5 FEBDMO COC(=O)COc1ccc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000449786271 560240027 /nfs/dbraw/zinc/24/00/27/560240027.db2.gz MKRILKCIZGFRTC-OAHLLOKOSA-N 1 1 365.430 2.061 20 5 FEBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450316856 560258314 /nfs/dbraw/zinc/25/83/14/560258314.db2.gz ICRRARPMOMEODB-ZDUSSCGKSA-N 1 1 361.471 2.766 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450598805 560267485 /nfs/dbraw/zinc/26/74/85/560267485.db2.gz RJGDTDSRQAEVJI-NSHDSACASA-N 1 1 371.821 2.294 20 5 FEBDMO COC(=O)[C@@H]([NH2+]CCCNc1nc2ccccc2cc1[N+](=O)[O-])C(C)C ZINC000450604818 560267906 /nfs/dbraw/zinc/26/79/06/560267906.db2.gz XPZHLAKGHBBPEQ-INIZCTEOSA-N 1 1 360.414 2.732 20 5 FEBDMO CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000450747913 560272050 /nfs/dbraw/zinc/27/20/50/560272050.db2.gz RDDYIBLRFRPMGN-QGZVFWFLSA-N 1 1 360.458 2.365 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)ccc1[N+](=O)[O-] ZINC000451228445 560294521 /nfs/dbraw/zinc/29/45/21/560294521.db2.gz NXFVUYNOABDVPD-LSDHHAIUSA-N 1 1 355.394 2.384 20 5 FEBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000451260546 560296565 /nfs/dbraw/zinc/29/65/65/560296565.db2.gz UTXQOOXBQWTZMW-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000451603549 560316870 /nfs/dbraw/zinc/31/68/70/560316870.db2.gz WZRPDJIWZFMJMD-KGLIPLIRSA-N 1 1 360.370 2.466 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000451700964 560323123 /nfs/dbraw/zinc/32/31/23/560323123.db2.gz YZTLGRPMIIZWHH-QLFBSQMISA-N 1 1 350.415 2.465 20 5 FEBDMO C[N@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)CC(C)(C)C ZINC000451785674 560328434 /nfs/dbraw/zinc/32/84/34/560328434.db2.gz GPXCVARKXQJROP-CQSZACIVSA-N 1 1 358.460 2.097 20 5 FEBDMO C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](CO)CC(C)(C)C ZINC000451785674 560328435 /nfs/dbraw/zinc/32/84/35/560328435.db2.gz GPXCVARKXQJROP-CQSZACIVSA-N 1 1 358.460 2.097 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451814224 560330169 /nfs/dbraw/zinc/33/01/69/560330169.db2.gz SYKZRDXAKSYMEG-QWHCGFSZSA-N 1 1 365.430 2.413 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000451814224 560330170 /nfs/dbraw/zinc/33/01/70/560330170.db2.gz SYKZRDXAKSYMEG-QWHCGFSZSA-N 1 1 365.430 2.413 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOCC12CCCCC2 ZINC000451816630 560330428 /nfs/dbraw/zinc/33/04/28/560330428.db2.gz PLKWTDIXBWHCBH-HNNXBMFYSA-N 1 1 350.415 2.370 20 5 FEBDMO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452092199 560350748 /nfs/dbraw/zinc/35/07/48/560350748.db2.gz UDPLHUHQNZGNTF-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452092199 560350749 /nfs/dbraw/zinc/35/07/49/560350749.db2.gz UDPLHUHQNZGNTF-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452101327 560351247 /nfs/dbraw/zinc/35/12/47/560351247.db2.gz GASYEYQOXLLEND-AWEZNQCLSA-N 1 1 355.460 2.315 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000452109289 560351696 /nfs/dbraw/zinc/35/16/96/560351696.db2.gz XMXCSILCDSHAEM-CQSZACIVSA-N 1 1 355.460 2.315 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000452112055 560352013 /nfs/dbraw/zinc/35/20/13/560352013.db2.gz DYGSQPGFUAFIFI-OAHLLOKOSA-N 1 1 362.430 2.307 20 5 FEBDMO CC(C)N1CC[C@@H]([N@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000452112055 560352014 /nfs/dbraw/zinc/35/20/14/560352014.db2.gz DYGSQPGFUAFIFI-OAHLLOKOSA-N 1 1 362.430 2.307 20 5 FEBDMO CC(C)N1CC[C@@H]([N@@H+](C)CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000452112055 560352015 /nfs/dbraw/zinc/35/20/15/560352015.db2.gz DYGSQPGFUAFIFI-OAHLLOKOSA-N 1 1 362.430 2.307 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000452124178 560352922 /nfs/dbraw/zinc/35/29/22/560352922.db2.gz WAOSIAVAWWGHBS-HNNXBMFYSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CCN(C(C)C)C1 ZINC000452124178 560352923 /nfs/dbraw/zinc/35/29/23/560352923.db2.gz WAOSIAVAWWGHBS-HNNXBMFYSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C(C)C)C1 ZINC000452124178 560352924 /nfs/dbraw/zinc/35/29/24/560352924.db2.gz WAOSIAVAWWGHBS-HNNXBMFYSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452125798 560352980 /nfs/dbraw/zinc/35/29/80/560352980.db2.gz JNGHMJTVRPKJAC-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452125798 560352981 /nfs/dbraw/zinc/35/29/81/560352981.db2.gz JNGHMJTVRPKJAC-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452355162 560359706 /nfs/dbraw/zinc/35/97/06/560359706.db2.gz XBDCYQMGNAWPCO-ZFWWWQNUSA-N 1 1 367.471 2.038 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452369907 560360880 /nfs/dbraw/zinc/36/08/80/560360880.db2.gz FFBXEZAODAWLEF-WMZOPIPTSA-N 1 1 363.458 2.127 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000453046132 560382323 /nfs/dbraw/zinc/38/23/23/560382323.db2.gz XLVCYLHBRQBHDS-DLBZAZTESA-N 1 1 350.440 2.489 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000453046132 560382324 /nfs/dbraw/zinc/38/23/24/560382324.db2.gz XLVCYLHBRQBHDS-DLBZAZTESA-N 1 1 350.440 2.489 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000457897692 560592971 /nfs/dbraw/zinc/59/29/71/560592971.db2.gz HMZHDJCRGUXZNC-AWEZNQCLSA-N 1 1 350.419 2.229 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459655427 560700653 /nfs/dbraw/zinc/70/06/53/560700653.db2.gz DEOTVGPDJFVPPO-ZBFHGGJFSA-N 1 1 373.409 2.394 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000461642495 560778629 /nfs/dbraw/zinc/77/86/29/560778629.db2.gz UEXZHRZPTSVEHO-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000464555150 560845282 /nfs/dbraw/zinc/84/52/82/560845282.db2.gz OFEJDZITCZESEH-CYBMUJFWSA-N 1 1 365.430 2.416 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000464857040 560853817 /nfs/dbraw/zinc/85/38/17/560853817.db2.gz TYJXJWTZXZYPTR-BBRMVZONSA-N 1 1 363.414 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000464857040 560853818 /nfs/dbraw/zinc/85/38/18/560853818.db2.gz TYJXJWTZXZYPTR-BBRMVZONSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1sc(S(=O)(=O)NCCNc2cccc(C)[nH+]2)cc1[N+](=O)[O-] ZINC000467075475 560902975 /nfs/dbraw/zinc/90/29/75/560902975.db2.gz PPOVMESWQRECDX-UHFFFAOYSA-N 1 1 356.429 2.059 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000467198463 560906277 /nfs/dbraw/zinc/90/62/77/560906277.db2.gz SUIRKAUDQXKQIV-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000467198463 560906278 /nfs/dbraw/zinc/90/62/78/560906278.db2.gz SUIRKAUDQXKQIV-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470151671 560975571 /nfs/dbraw/zinc/97/55/71/560975571.db2.gz JDJMFDBWHFQCPP-OAHLLOKOSA-N 1 1 354.382 2.212 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000470173730 560975942 /nfs/dbraw/zinc/97/59/42/560975942.db2.gz NFEFGKZBVVJADP-AGWAZZAUSA-N 1 1 372.469 2.237 20 5 FEBDMO C[C@H](CN1CCOCC1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472228206 561021512 /nfs/dbraw/zinc/02/15/12/561021512.db2.gz DUVKOKBFVBRFRQ-QGZVFWFLSA-N 1 1 373.457 2.014 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000472264218 561022225 /nfs/dbraw/zinc/02/22/25/561022225.db2.gz WDEGEVGQHXDCSB-MRXNPFEDSA-N 1 1 372.469 2.148 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccsc1 ZINC000473158407 561043026 /nfs/dbraw/zinc/04/30/26/561043026.db2.gz DRWOBBFYRWZEIA-YGRLFVJLSA-N 1 1 365.411 2.315 20 5 FEBDMO COC(=O)c1cc(NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc(C)c1[N+](=O)[O-] ZINC000474793026 561083018 /nfs/dbraw/zinc/08/30/18/561083018.db2.gz YQXAXVRFWGCOKW-HNNXBMFYSA-N 1 1 365.430 2.459 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000475707731 561102798 /nfs/dbraw/zinc/10/27/98/561102798.db2.gz UHMVGOBZUIZWKX-OAHLLOKOSA-N 1 1 374.397 2.180 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000475707731 561102799 /nfs/dbraw/zinc/10/27/99/561102799.db2.gz UHMVGOBZUIZWKX-OAHLLOKOSA-N 1 1 374.397 2.180 20 5 FEBDMO C[C@H]1CC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000531267437 562440182 /nfs/dbraw/zinc/44/01/82/562440182.db2.gz FHYSSWYGPVBIMT-NSHDSACASA-N 1 1 370.247 2.358 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCc2nc(C)ncc2C1 ZINC000532918696 562492574 /nfs/dbraw/zinc/49/25/74/562492574.db2.gz JIJCZFQNMVPZJG-UHFFFAOYSA-N 1 1 355.398 2.389 20 5 FEBDMO C[C@H](O)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000533429092 562508498 /nfs/dbraw/zinc/50/84/98/562508498.db2.gz CXISRHLARUYUFM-HNNXBMFYSA-N 1 1 369.421 2.367 20 5 FEBDMO C[C@H](O)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000533429092 562508499 /nfs/dbraw/zinc/50/84/99/562508499.db2.gz CXISRHLARUYUFM-HNNXBMFYSA-N 1 1 369.421 2.367 20 5 FEBDMO COC(=O)c1cc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000533830679 562519295 /nfs/dbraw/zinc/51/92/95/562519295.db2.gz COTAICIKUGUCHB-KRWDZBQOSA-N 1 1 369.377 2.298 20 5 FEBDMO COC(=O)c1cc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC000533830679 562519296 /nfs/dbraw/zinc/51/92/96/562519296.db2.gz COTAICIKUGUCHB-KRWDZBQOSA-N 1 1 369.377 2.298 20 5 FEBDMO C[N@@H+](CCOc1ccccc1Cl)CCn1cc([N+](=O)[O-])ccc1=O ZINC000534135750 562526161 /nfs/dbraw/zinc/52/61/61/562526161.db2.gz COGALKYBNQCKSR-UHFFFAOYSA-N 1 1 351.790 2.421 20 5 FEBDMO CS[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1N(C)C ZINC000536470871 562576332 /nfs/dbraw/zinc/57/63/32/562576332.db2.gz DQIXEXFTKGFGBE-JKSUJKDBSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@@H]1[NH+](C)C ZINC000536470871 562576333 /nfs/dbraw/zinc/57/63/33/562576333.db2.gz DQIXEXFTKGFGBE-JKSUJKDBSA-N 1 1 366.487 2.209 20 5 FEBDMO CC(C)(C)[N@H+]1CCCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000536548698 562578802 /nfs/dbraw/zinc/57/88/02/562578802.db2.gz JKKCITANYIAZRV-UHFFFAOYSA-N 1 1 355.460 2.309 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000541192130 562605528 /nfs/dbraw/zinc/60/55/28/562605528.db2.gz ALZHNBQCZRFMIB-GFCCVEGCSA-N 1 1 373.500 2.228 20 5 FEBDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000546123660 562633944 /nfs/dbraw/zinc/63/39/44/562633944.db2.gz VHMVTORPQBOFKB-KBPBESRZSA-N 1 1 369.425 2.307 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000546123660 562633945 /nfs/dbraw/zinc/63/39/45/562633945.db2.gz VHMVTORPQBOFKB-KBPBESRZSA-N 1 1 369.425 2.307 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000546537584 562637610 /nfs/dbraw/zinc/63/76/10/562637610.db2.gz WDCZLJVZMUIDGO-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000546537584 562637611 /nfs/dbraw/zinc/63/76/11/562637611.db2.gz WDCZLJVZMUIDGO-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO CO[C@H](C)c1nc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cs1 ZINC000569448490 568402789 /nfs/dbraw/zinc/40/27/89/568402789.db2.gz BYMNWGLVQXMSQW-RISCZKNCSA-N 1 1 367.427 2.288 20 5 FEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC[N@H+]1C ZINC000809821056 674512983 /nfs/dbraw/zinc/51/29/83/674512983.db2.gz HHFQCVBJYICEOP-RKDXNWHRSA-N 1 1 365.814 2.148 20 5 FEBDMO CC1(C)CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1CCO ZINC000809916850 674519463 /nfs/dbraw/zinc/51/94/63/674519463.db2.gz VTUHTJMGNCJAFX-UHFFFAOYSA-N 1 1 356.810 2.169 20 5 FEBDMO CC1(C)CN(C(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1CCO ZINC000809916850 674519466 /nfs/dbraw/zinc/51/94/66/674519466.db2.gz VTUHTJMGNCJAFX-UHFFFAOYSA-N 1 1 356.810 2.169 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000809916387 674519477 /nfs/dbraw/zinc/51/94/77/674519477.db2.gz IPGXRJVUVGERKX-LLVKDONJSA-N 1 1 356.810 2.481 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821065741 606704475 /nfs/dbraw/zinc/70/44/75/606704475.db2.gz LXEKKKDGOIZEGI-LBPRGKRZSA-N 1 1 360.422 2.236 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820709316 607168484 /nfs/dbraw/zinc/16/84/84/607168484.db2.gz HGUBJNJJWOCCLO-GFCCVEGCSA-N 1 1 360.422 2.094 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000563753575 674935784 /nfs/dbraw/zinc/93/57/84/674935784.db2.gz KUPMZKUFNAKIHV-BBRMVZONSA-N 1 1 355.460 2.229 20 5 FEBDMO CC[N@@H+](CCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564385749 675006353 /nfs/dbraw/zinc/00/63/53/675006353.db2.gz VRNIDYCSCWJHSK-UHFFFAOYSA-N 1 1 364.183 2.404 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCC[NH+]1CCCC1 ZINC000022815069 670044304 /nfs/dbraw/zinc/04/43/04/670044304.db2.gz WKIOSIAHJBQBAA-UHFFFAOYSA-N 1 1 367.349 2.396 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000817151669 675106215 /nfs/dbraw/zinc/10/62/15/675106215.db2.gz XHEOLFWEXHQYKV-VIFPVBQESA-N 1 1 365.814 2.102 20 5 FEBDMO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565416966 675119840 /nfs/dbraw/zinc/11/98/40/675119840.db2.gz KXKHDQWNSFVHEC-YVEFUNNKSA-N 1 1 362.407 2.480 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000083990450 670663726 /nfs/dbraw/zinc/66/37/26/670663726.db2.gz RMIPCNXHOFJYMI-SNVBAGLBSA-N 1 1 361.851 2.318 20 5 FEBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[N@H+]1C ZINC000572014621 670951720 /nfs/dbraw/zinc/95/17/20/670951720.db2.gz CVXYXIRIYZXYJY-CHWSQXEVSA-N 1 1 352.410 2.465 20 5 FEBDMO C[N@@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC1 ZINC000572975151 671066750 /nfs/dbraw/zinc/06/67/50/671066750.db2.gz MUKCVGBPHOKUCS-UHFFFAOYSA-N 1 1 350.394 2.244 20 5 FEBDMO CC[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000573943491 671184379 /nfs/dbraw/zinc/18/43/79/671184379.db2.gz GEFSMFGFWOBFSJ-NSHDSACASA-N 1 1 370.247 2.452 20 5 FEBDMO O=C(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1C(F)F ZINC000576696656 671387664 /nfs/dbraw/zinc/38/76/64/671387664.db2.gz YQTLRLYLORKVNE-SNVBAGLBSA-N 1 1 353.247 2.293 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000609387866 675921139 /nfs/dbraw/zinc/92/11/39/675921139.db2.gz LNBWRQZHGRCKDO-NSHDSACASA-N 1 1 359.835 2.011 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000609560944 675926161 /nfs/dbraw/zinc/92/61/61/675926161.db2.gz BGMXOWFDALMDTJ-CYBMUJFWSA-N 1 1 370.475 2.309 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1 ZINC000578364371 671659961 /nfs/dbraw/zinc/65/99/61/671659961.db2.gz RBWCMFYRNZENDB-UHFFFAOYSA-N 1 1 368.503 2.272 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)CCCN(C)CC[NH+](C)C)c1 ZINC000578364371 671659962 /nfs/dbraw/zinc/65/99/62/671659962.db2.gz RBWCMFYRNZENDB-UHFFFAOYSA-N 1 1 368.503 2.272 20 5 FEBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609545391 675925638 /nfs/dbraw/zinc/92/56/38/675925638.db2.gz ICBKLKXHYMDHMR-LBPRGKRZSA-N 1 1 359.835 2.105 20 5 FEBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609545391 675925639 /nfs/dbraw/zinc/92/56/39/675925639.db2.gz ICBKLKXHYMDHMR-LBPRGKRZSA-N 1 1 359.835 2.105 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000609673381 675931809 /nfs/dbraw/zinc/93/18/09/675931809.db2.gz DFXYPQLVFALPNY-UONOGXRCSA-N 1 1 355.460 2.444 20 5 FEBDMO C[N@H+]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1(C)C ZINC000580677652 671824188 /nfs/dbraw/zinc/82/41/88/671824188.db2.gz WWXLNVSRXJUGCH-UHFFFAOYSA-N 1 1 370.247 2.452 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000580980950 671852527 /nfs/dbraw/zinc/85/25/27/671852527.db2.gz JLHZRFZKMIVMJO-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119637475 671904104 /nfs/dbraw/zinc/90/41/04/671904104.db2.gz BOFTZCPSPZBQSA-NSHDSACASA-N 1 1 361.489 2.445 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119950177 671913122 /nfs/dbraw/zinc/91/31/22/671913122.db2.gz JEUAZRKCWZRDRR-GRYCIOLGSA-N 1 1 361.489 2.301 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610261448 675961866 /nfs/dbraw/zinc/96/18/66/675961866.db2.gz GEVUZSWAHRXVBB-MJBXVCDLSA-N 1 1 368.459 2.016 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000125460033 672011743 /nfs/dbraw/zinc/01/17/43/672011743.db2.gz NPNGCVLYGWCUEV-LLVKDONJSA-N 1 1 373.862 2.319 20 5 FEBDMO Cc1c(Br)cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000611072638 676015068 /nfs/dbraw/zinc/01/50/68/676015068.db2.gz PYHHRDUYMOFRJD-LLVKDONJSA-N 1 1 356.220 2.490 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCOC1 ZINC000611205377 676024974 /nfs/dbraw/zinc/02/49/74/676024974.db2.gz ZSPDXQYRCSVJRS-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H](O)C3)o2)c(Cl)c1 ZINC000611276765 676029056 /nfs/dbraw/zinc/02/90/56/676029056.db2.gz GZCGPESSCAFVJV-TXEJJXNPSA-N 1 1 352.774 2.436 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000590165278 672562555 /nfs/dbraw/zinc/56/25/55/672562555.db2.gz DDWQETNMRCJTFH-KRWDZBQOSA-N 1 1 367.471 2.264 20 5 FEBDMO CN(Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000611374246 676034580 /nfs/dbraw/zinc/03/45/80/676034580.db2.gz HRUFNRIBQVTHIZ-KRWDZBQOSA-N 1 1 350.438 2.334 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000590565847 672590406 /nfs/dbraw/zinc/59/04/06/672590406.db2.gz RLHLYXCWGVHNLM-DZGCQCFKSA-N 1 1 353.806 2.183 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000590591636 672594467 /nfs/dbraw/zinc/59/44/67/672594467.db2.gz VOMQCAKEUCSZHA-ZDUSSCGKSA-N 1 1 373.450 2.395 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)[C@H](C)CO1 ZINC000593062663 672870107 /nfs/dbraw/zinc/87/01/07/672870107.db2.gz QOVGCOZSLKHHBA-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO O=C1[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCN1C1CCOCC1 ZINC000612402191 676080693 /nfs/dbraw/zinc/08/06/93/676080693.db2.gz MGBWTDVEFGQGBV-OAHLLOKOSA-N 1 1 353.806 2.118 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000594475957 673082310 /nfs/dbraw/zinc/08/23/10/673082310.db2.gz VKQCBQMPXRBOBH-UHFFFAOYSA-N 1 1 371.459 2.098 20 5 FEBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594788928 673142319 /nfs/dbraw/zinc/14/23/19/673142319.db2.gz ICDZCOBBNLQUEO-LLVKDONJSA-N 1 1 361.851 2.399 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000594788928 673142320 /nfs/dbraw/zinc/14/23/20/673142320.db2.gz ICDZCOBBNLQUEO-LLVKDONJSA-N 1 1 361.851 2.399 20 5 FEBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000594847652 673161431 /nfs/dbraw/zinc/16/14/31/673161431.db2.gz SSALOYTZFCCNIO-UHFFFAOYSA-N 1 1 368.242 2.084 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000595467308 673254629 /nfs/dbraw/zinc/25/46/29/673254629.db2.gz JYTGLDHMFRCCNV-CQSZACIVSA-N 1 1 350.419 2.275 20 5 FEBDMO COC(=O)c1c(Cl)c(N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000596167555 673364518 /nfs/dbraw/zinc/36/45/18/673364518.db2.gz KPQPTDFFPGKLGG-BXKDBHETSA-N 1 1 357.794 2.166 20 5 FEBDMO COC(=O)c1c(Cl)c(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1[N+](=O)[O-] ZINC000596167555 673364519 /nfs/dbraw/zinc/36/45/19/673364519.db2.gz KPQPTDFFPGKLGG-BXKDBHETSA-N 1 1 357.794 2.166 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000596237774 673370924 /nfs/dbraw/zinc/37/09/24/673370924.db2.gz XIWSPRUJOPTDBF-ZDUSSCGKSA-N 1 1 372.491 2.424 20 5 FEBDMO COc1cc(N2CCC([N@H+]3CCCOCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000596269734 673373265 /nfs/dbraw/zinc/37/32/65/673373265.db2.gz ZRCRCHQXEQQNGD-UHFFFAOYSA-N 1 1 353.394 2.434 20 5 FEBDMO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596477559 673388382 /nfs/dbraw/zinc/38/83/82/673388382.db2.gz BFHMMLDFLRQGNY-LBPRGKRZSA-N 1 1 368.459 2.061 20 5 FEBDMO O=C1C[C@@]2(CN1)CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000537616414 673397828 /nfs/dbraw/zinc/39/78/28/673397828.db2.gz NOXJHRYZKGSZCK-MRXNPFEDSA-N 1 1 355.341 2.298 20 5 FEBDMO O=C1C[C@@]2(CN1)CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C2 ZINC000537616414 673397833 /nfs/dbraw/zinc/39/78/33/673397833.db2.gz NOXJHRYZKGSZCK-MRXNPFEDSA-N 1 1 355.341 2.298 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000734552829 673466613 /nfs/dbraw/zinc/46/66/13/673466613.db2.gz SMUSXVIPQFZEDN-GFCCVEGCSA-N 1 1 350.375 2.225 20 5 FEBDMO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@@H+](C)C1 ZINC000597945562 673522375 /nfs/dbraw/zinc/52/23/75/673522375.db2.gz IHZFWCXYHFIIEO-ZDUSSCGKSA-N 1 1 370.247 2.452 20 5 FEBDMO CS(=O)(=O)c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164036 673637782 /nfs/dbraw/zinc/63/77/82/673637782.db2.gz INPNNWSYLGVSOW-ZDUSSCGKSA-N 1 1 353.444 2.427 20 5 FEBDMO CS(=O)(=O)c1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000599164036 673637783 /nfs/dbraw/zinc/63/77/83/673637783.db2.gz INPNNWSYLGVSOW-ZDUSSCGKSA-N 1 1 353.444 2.427 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000599392555 673668704 /nfs/dbraw/zinc/66/87/04/673668704.db2.gz VOCIUEFMOBDPBL-GFCCVEGCSA-N 1 1 359.473 2.342 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)s1 ZINC000599392555 673668708 /nfs/dbraw/zinc/66/87/08/673668708.db2.gz VOCIUEFMOBDPBL-GFCCVEGCSA-N 1 1 359.473 2.342 20 5 FEBDMO COc1cc(C(=O)OC[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000741117710 673671478 /nfs/dbraw/zinc/67/14/78/673671478.db2.gz BIFRNZVBKQDSDB-CQSZACIVSA-N 1 1 352.387 2.117 20 5 FEBDMO CCN(CC)C(=O)CCC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000543909332 673678004 /nfs/dbraw/zinc/67/80/04/673678004.db2.gz WLYSBVODFUMLRO-UHFFFAOYSA-N 1 1 351.451 2.189 20 5 FEBDMO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000599464987 673679169 /nfs/dbraw/zinc/67/91/69/673679169.db2.gz ZNUKZHNYNSLFAK-KRWDZBQOSA-N 1 1 367.471 2.074 20 5 FEBDMO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741720659 673695505 /nfs/dbraw/zinc/69/55/05/673695505.db2.gz ISUCSCUCRIMOPU-BXKDBHETSA-N 1 1 350.375 2.332 20 5 FEBDMO CCC(O)(CC)C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599673445 673705013 /nfs/dbraw/zinc/70/50/13/673705013.db2.gz OWOYXSQDLVUAJY-GFCCVEGCSA-N 1 1 353.419 2.413 20 5 FEBDMO Cn1nc(C(F)(F)F)cc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149805 673829196 /nfs/dbraw/zinc/82/91/96/673829196.db2.gz PVMKBJOWEQCVQY-CQSZACIVSA-N 1 1 358.320 2.344 20 5 FEBDMO Cn1nc(C(F)(F)F)cc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149801 673829321 /nfs/dbraw/zinc/82/93/21/673829321.db2.gz PVMKBJOWEQCVQY-AWEZNQCLSA-N 1 1 358.320 2.344 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000602776969 673910576 /nfs/dbraw/zinc/91/05/76/673910576.db2.gz BGYOFJNYVJOUNA-UHFFFAOYSA-N 1 1 351.357 2.200 20 5 FEBDMO CC(=O)NCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C)s1 ZINC000602827395 673911778 /nfs/dbraw/zinc/91/17/78/673911778.db2.gz ZXVGKGVOTZLEGW-UHFFFAOYSA-N 1 1 365.459 2.108 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+](CCN2CCOCC2)[C@H]2CCSC2)cs1 ZINC000602880488 673912880 /nfs/dbraw/zinc/91/28/80/673912880.db2.gz GIPOQTYUWANMIJ-AWEZNQCLSA-N 1 1 357.501 2.296 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+](CCN2CCOCC2)[C@H]2CCSC2)cs1 ZINC000602880488 673912882 /nfs/dbraw/zinc/91/28/82/673912882.db2.gz GIPOQTYUWANMIJ-AWEZNQCLSA-N 1 1 357.501 2.296 20 5 FEBDMO C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@@H](C)O1 ZINC000820159723 675340484 /nfs/dbraw/zinc/34/04/84/675340484.db2.gz PCXLULUZWXWDMD-VXGBXAGGSA-N 1 1 353.394 2.352 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000820827089 675391772 /nfs/dbraw/zinc/39/17/72/675391772.db2.gz JRZHKCJJVBWQFI-ZDUSSCGKSA-N 1 1 368.821 2.311 20 5 FEBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])NC[C@H]1CCCC[N@@H+]1CCO ZINC000821053024 675409845 /nfs/dbraw/zinc/40/98/45/675409845.db2.gz SSOYGSQVERKMNV-CYBMUJFWSA-N 1 1 369.849 2.144 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c([N+](=O)[O-])cc1NC(C)=O ZINC000822235567 675473653 /nfs/dbraw/zinc/47/36/53/675473653.db2.gz MSMNCAWRKYQEAM-NSHDSACASA-N 1 1 368.821 2.421 20 5 FEBDMO O=C(N1C[C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]2C1)C(F)(F)F ZINC000824827123 675623565 /nfs/dbraw/zinc/62/35/65/675623565.db2.gz ANLSGRSDCUVKPI-QWHCGFSZSA-N 1 1 357.332 2.437 20 5 FEBDMO C[N@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827580992 675766351 /nfs/dbraw/zinc/76/63/51/675766351.db2.gz YJLPMFJLNUEDFE-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827580992 675766353 /nfs/dbraw/zinc/76/63/53/675766353.db2.gz YJLPMFJLNUEDFE-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000827580992 675766357 /nfs/dbraw/zinc/76/63/57/675766357.db2.gz YJLPMFJLNUEDFE-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CC1(CCCC[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)OCCO1 ZINC000838895235 680726304 /nfs/dbraw/zinc/72/63/04/680726304.db2.gz OWMNRTRGDRPXRD-CQSZACIVSA-N 1 1 350.419 2.409 20 5 FEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000839393116 680751294 /nfs/dbraw/zinc/75/12/94/680751294.db2.gz WOJGRVCLVZSPKJ-LBPRGKRZSA-N 1 1 350.375 2.286 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000839393116 680751296 /nfs/dbraw/zinc/75/12/96/680751296.db2.gz WOJGRVCLVZSPKJ-LBPRGKRZSA-N 1 1 350.375 2.286 20 5 FEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000839393114 680751347 /nfs/dbraw/zinc/75/13/47/680751347.db2.gz WOJGRVCLVZSPKJ-GFCCVEGCSA-N 1 1 350.375 2.286 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000839393114 680751350 /nfs/dbraw/zinc/75/13/50/680751350.db2.gz WOJGRVCLVZSPKJ-GFCCVEGCSA-N 1 1 350.375 2.286 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000839439738 680752908 /nfs/dbraw/zinc/75/29/08/680752908.db2.gz FDZDSQHPEGVTSD-ZDUSSCGKSA-N 1 1 350.375 2.366 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000762550418 680753497 /nfs/dbraw/zinc/75/34/97/680753497.db2.gz AGGSUSPXICCGRT-UHFFFAOYSA-N 1 1 373.862 2.487 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000762550418 680753498 /nfs/dbraw/zinc/75/34/98/680753498.db2.gz AGGSUSPXICCGRT-UHFFFAOYSA-N 1 1 373.862 2.487 20 5 FEBDMO C[C@H]1CCSCC[N@@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840051308 680795090 /nfs/dbraw/zinc/79/50/90/680795090.db2.gz BLUQTZTWQAUVAE-LRDDRELGSA-N 1 1 351.428 2.317 20 5 FEBDMO C[C@H]1CCSCC[N@H+]1CN1C(=O)C[C@@H]1Oc1ccc([N+](=O)[O-])cc1 ZINC000840051308 680795092 /nfs/dbraw/zinc/79/50/92/680795092.db2.gz BLUQTZTWQAUVAE-LRDDRELGSA-N 1 1 351.428 2.317 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000754223285 680343935 /nfs/dbraw/zinc/34/39/35/680343935.db2.gz GEFSLOLTHKGJCK-SNVBAGLBSA-N 1 1 350.375 2.286 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@H]1C ZINC000754223285 680343939 /nfs/dbraw/zinc/34/39/39/680343939.db2.gz GEFSLOLTHKGJCK-SNVBAGLBSA-N 1 1 350.375 2.286 20 5 FEBDMO CCOc1cc(COC(=O)C[N@H+](C)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000755550845 680421020 /nfs/dbraw/zinc/42/10/20/680421020.db2.gz VSXNHBWJKJZRPK-ZDUSSCGKSA-N 1 1 354.428 2.474 20 5 FEBDMO CCOc1cc(COC(=O)C[N@@H+](C)[C@H]2CCSC2)ccc1[N+](=O)[O-] ZINC000755550845 680421021 /nfs/dbraw/zinc/42/10/21/680421021.db2.gz VSXNHBWJKJZRPK-ZDUSSCGKSA-N 1 1 354.428 2.474 20 5 FEBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643077 680436510 /nfs/dbraw/zinc/43/65/10/680436510.db2.gz JQGNXMCTLWHXAJ-IXYNUQLISA-N 1 1 353.369 2.147 20 5 FEBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2F)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034643223 680436543 /nfs/dbraw/zinc/43/65/43/680436543.db2.gz KOHNLKMQLUEUKV-RGCMKSIDSA-N 1 1 353.369 2.147 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCc3cccs3)C2)CC1 ZINC001035186676 680443344 /nfs/dbraw/zinc/44/33/44/680443344.db2.gz JDVPEXRYHSAVIC-HZPDHXFCSA-N 1 1 363.483 2.270 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@H+](CCc3cccs3)C2)CC1 ZINC001035186676 680443346 /nfs/dbraw/zinc/44/33/46/680443346.db2.gz JDVPEXRYHSAVIC-HZPDHXFCSA-N 1 1 363.483 2.270 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCc3cccs3)C2)CC1 ZINC001035186676 680443350 /nfs/dbraw/zinc/44/33/50/680443350.db2.gz JDVPEXRYHSAVIC-HZPDHXFCSA-N 1 1 363.483 2.270 20 5 FEBDMO Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)s1 ZINC001001398507 680460083 /nfs/dbraw/zinc/46/00/83/680460083.db2.gz GCSREOULBFTPQU-HZPDHXFCSA-N 1 1 351.472 2.358 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000773851591 681157696 /nfs/dbraw/zinc/15/76/96/681157696.db2.gz OTBDJPMSDDXIDU-UHFFFAOYSA-N 1 1 368.191 2.077 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000774909428 681249100 /nfs/dbraw/zinc/24/91/00/681249100.db2.gz MVWHZTKQQABICO-HNNXBMFYSA-N 1 1 351.359 2.273 20 5 FEBDMO C[C@@]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000776590970 681412466 /nfs/dbraw/zinc/41/24/66/681412466.db2.gz KWUYLJPSPHXDNO-RDJZCZTQSA-N 1 1 363.801 2.272 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000848352522 681527827 /nfs/dbraw/zinc/52/78/27/681527827.db2.gz QHSYCRUUUQBSHO-DGCLKSJQSA-N 1 1 361.427 2.346 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000777798493 681531698 /nfs/dbraw/zinc/53/16/98/681531698.db2.gz PMKQPFRHXNWESP-LLVKDONJSA-N 1 1 363.443 2.450 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1F ZINC000848508636 681566384 /nfs/dbraw/zinc/56/63/84/681566384.db2.gz OVRGPGRENOEJOH-KBPBESRZSA-N 1 1 371.434 2.338 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCN1CC[NH+](C)CC1 ZINC000935444718 681752186 /nfs/dbraw/zinc/75/21/86/681752186.db2.gz ADZHDLMJOLGMTD-ZDUSSCGKSA-N 1 1 366.487 2.073 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000779902385 681769403 /nfs/dbraw/zinc/76/94/03/681769403.db2.gz OZVRQIXYIYWJOI-WDEREUQCSA-N 1 1 361.851 2.318 20 5 FEBDMO CC[N@@H+](CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000781626544 681954209 /nfs/dbraw/zinc/95/42/09/681954209.db2.gz IQSSKPAHPDCWRN-UHFFFAOYSA-N 1 1 350.375 2.036 20 5 FEBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000851820648 682147684 /nfs/dbraw/zinc/14/76/84/682147684.db2.gz DRLLHQGCNYTPIE-NSHDSACASA-N 1 1 361.851 2.319 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@](O)(C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852502287 682291266 /nfs/dbraw/zinc/29/12/66/682291266.db2.gz FGEVEZOBWBSPHT-INIZCTEOSA-N 1 1 353.806 2.424 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@](O)(C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852502287 682291273 /nfs/dbraw/zinc/29/12/73/682291273.db2.gz FGEVEZOBWBSPHT-INIZCTEOSA-N 1 1 353.806 2.424 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1F ZINC000785830278 682328722 /nfs/dbraw/zinc/32/87/22/682328722.db2.gz GOXYEZHVLYGMCE-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853065818 682370253 /nfs/dbraw/zinc/37/02/53/682370253.db2.gz ZTVDKBJEMCWDGJ-LBPRGKRZSA-N 1 1 369.219 2.047 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000788913356 682565283 /nfs/dbraw/zinc/56/52/83/682565283.db2.gz NWFFQQJOTFOANE-YPMHNXCESA-N 1 1 373.450 2.441 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000855159099 682633870 /nfs/dbraw/zinc/63/38/70/682633870.db2.gz APCBEBBMKGOGQX-GFCCVEGCSA-N 1 1 353.394 2.349 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000791060756 682721578 /nfs/dbraw/zinc/72/15/78/682721578.db2.gz MJYQMKRVCLAQBG-CYBMUJFWSA-N 1 1 363.443 2.450 20 5 FEBDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796164841 683135597 /nfs/dbraw/zinc/13/55/97/683135597.db2.gz ZKFDEXCIRPWQPM-HZPDHXFCSA-N 1 1 351.403 2.229 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000919848349 683303124 /nfs/dbraw/zinc/30/31/24/683303124.db2.gz UJEJXSQMFMZJTB-NWDGAFQWSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000919848349 683303126 /nfs/dbraw/zinc/30/31/26/683303126.db2.gz UJEJXSQMFMZJTB-NWDGAFQWSA-N 1 1 373.862 2.414 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@@H+]1CC(C)(C)O ZINC000861183650 683366177 /nfs/dbraw/zinc/36/61/77/683366177.db2.gz NXEANXGCMVDWPN-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Cl)CC[N@H+]1CC(C)(C)O ZINC000861183650 683366183 /nfs/dbraw/zinc/36/61/83/683366183.db2.gz NXEANXGCMVDWPN-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000928090403 683380046 /nfs/dbraw/zinc/38/00/46/683380046.db2.gz HXVZCQBHECDNAS-HOTGVXAUSA-N 1 1 360.439 2.386 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928093755 683382493 /nfs/dbraw/zinc/38/24/93/683382493.db2.gz NNHJSTCXBSVQOR-DZGCQCFKSA-N 1 1 365.455 2.060 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000861775520 683471667 /nfs/dbraw/zinc/47/16/67/683471667.db2.gz ZEYJADCFWWQTPH-MNOVXSKESA-N 1 1 368.231 2.381 20 5 FEBDMO COC[C@@H](C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C(C)C ZINC000929261908 683570172 /nfs/dbraw/zinc/57/01/72/683570172.db2.gz QVPLDMRUGAMXSA-CYBMUJFWSA-N 1 1 355.460 2.333 20 5 FEBDMO NC(CCC(F)(F)F)=[NH+]OCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000863489643 683733342 /nfs/dbraw/zinc/73/33/42/683733342.db2.gz MPHIZXHZFICZKZ-UHFFFAOYSA-N 1 1 360.292 2.325 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(CCC[NH+]2CCOCC2)nn1 ZINC000864628592 683875173 /nfs/dbraw/zinc/87/51/73/683875173.db2.gz LHVWIOKEIUTTGB-UHFFFAOYSA-N 1 1 351.794 2.094 20 5 FEBDMO C[NH+]1CCN(C2CCN(C(=S)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000865267608 683959764 /nfs/dbraw/zinc/95/97/64/683959764.db2.gz RQIHCGKBHGRCOE-UHFFFAOYSA-N 1 1 363.487 2.003 20 5 FEBDMO COCC(COC)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865877756 684040088 /nfs/dbraw/zinc/04/00/88/684040088.db2.gz RRMPLSIXEKDAFG-UHFFFAOYSA-N 1 1 359.373 2.316 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000866972200 684189575 /nfs/dbraw/zinc/18/95/75/684189575.db2.gz NQKLZRBUKMBBBK-TZMCWYRMSA-N 1 1 371.434 2.147 20 5 FEBDMO C[N@H+]1C[C@@]2(C)CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000931309608 684258873 /nfs/dbraw/zinc/25/88/73/684258873.db2.gz DVPIUYYAGSAVSW-CALCHBBNSA-N 1 1 366.849 2.460 20 5 FEBDMO C[N@H+]1CC[C@H]1CNC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000931731349 684338612 /nfs/dbraw/zinc/33/86/12/684338612.db2.gz AUYVGCFMMACCPC-UFBFGSQYSA-N 1 1 364.299 2.341 20 5 FEBDMO C[C@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000932055767 684398827 /nfs/dbraw/zinc/39/88/27/684398827.db2.gz WKOVEAVYWFIMFQ-STQMWFEESA-N 1 1 369.849 2.406 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872665575 685001137 /nfs/dbraw/zinc/00/11/37/685001137.db2.gz QVDYEELIHJSLEE-HUUCEWRRSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872665575 685001138 /nfs/dbraw/zinc/00/11/38/685001138.db2.gz QVDYEELIHJSLEE-HUUCEWRRSA-N 1 1 353.444 2.014 20 5 FEBDMO CC(C)(C[NH+]1CCOCC1)NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl ZINC000910449024 685057345 /nfs/dbraw/zinc/05/73/45/685057345.db2.gz HQFMEYUSMQPLAR-UHFFFAOYSA-N 1 1 369.849 2.408 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874829717 685677587 /nfs/dbraw/zinc/67/75/87/685677587.db2.gz NANJODXHBXUFSF-ZIAGYGMSSA-N 1 1 350.394 2.109 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000877740127 686448071 /nfs/dbraw/zinc/44/80/71/686448071.db2.gz VBNKRGVPXDOVQF-UONOGXRCSA-N 1 1 366.439 2.332 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000879368719 686806940 /nfs/dbraw/zinc/80/69/40/686806940.db2.gz SDJTYNIRXUFRLV-UONOGXRCSA-N 1 1 358.341 2.149 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000879368719 686806948 /nfs/dbraw/zinc/80/69/48/686806948.db2.gz SDJTYNIRXUFRLV-UONOGXRCSA-N 1 1 358.341 2.149 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000882515391 687383294 /nfs/dbraw/zinc/38/32/94/687383294.db2.gz DXQRVMOKVHLJAL-QWHCGFSZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000882515391 687383298 /nfs/dbraw/zinc/38/32/98/687383298.db2.gz DXQRVMOKVHLJAL-QWHCGFSZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(F)cc(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC000885872747 688174588 /nfs/dbraw/zinc/17/45/88/688174588.db2.gz JBYKWMKUMURMOW-CQSZACIVSA-N 1 1 351.378 2.025 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887932193 688522829 /nfs/dbraw/zinc/52/28/29/688522829.db2.gz YQFNJUYSWNQFTO-BMIGLBTASA-N 1 1 368.231 2.381 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000888283669 688577096 /nfs/dbraw/zinc/57/70/96/688577096.db2.gz XBCIDGBZOSAYHZ-NWDGAFQWSA-N 1 1 370.837 2.475 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)cc1Cl ZINC000889752016 688816855 /nfs/dbraw/zinc/81/68/55/688816855.db2.gz UBPPJLDUVDGNRZ-GJZGRUSLSA-N 1 1 367.833 2.228 20 5 FEBDMO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895569722 689736494 /nfs/dbraw/zinc/73/64/94/689736494.db2.gz MZAQMOCAMJYJIQ-STQMWFEESA-N 1 1 366.443 2.077 20 5 FEBDMO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1[N+](=O)[O-] ZINC000895569722 689736497 /nfs/dbraw/zinc/73/64/97/689736497.db2.gz MZAQMOCAMJYJIQ-STQMWFEESA-N 1 1 366.443 2.077 20 5 FEBDMO COc1cc(CN[C@H]2CC[N@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557902 689894978 /nfs/dbraw/zinc/89/49/78/689894978.db2.gz LQNQNNBRYAFYGF-PWSUYJOCSA-N 1 1 359.373 2.430 20 5 FEBDMO COc1cc(CN[C@H]2CC[N@@H+](C)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000896557902 689894979 /nfs/dbraw/zinc/89/49/79/689894979.db2.gz LQNQNNBRYAFYGF-PWSUYJOCSA-N 1 1 359.373 2.430 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cnc3n2CCOC3)c1 ZINC000898272101 690152811 /nfs/dbraw/zinc/15/28/11/690152811.db2.gz QTQIQEUDRISIAK-UHFFFAOYSA-N 1 1 354.313 2.213 20 5 FEBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903956679 690989173 /nfs/dbraw/zinc/98/91/73/690989173.db2.gz MWMMZJVYLSUNKO-NEPJUHHUSA-N 1 1 356.373 2.146 20 5 FEBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000903956679 690989176 /nfs/dbraw/zinc/98/91/76/690989176.db2.gz MWMMZJVYLSUNKO-NEPJUHHUSA-N 1 1 356.373 2.146 20 5 FEBDMO CC1(C)CN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1CCO ZINC000907598290 691524729 /nfs/dbraw/zinc/52/47/29/691524729.db2.gz CDBVVOCISMDHFR-UHFFFAOYSA-N 1 1 369.849 2.096 20 5 FEBDMO Cc1cc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928500 721857288 /nfs/dbraw/zinc/85/72/88/721857288.db2.gz NROMMKSTRACTFK-STQMWFEESA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928500 721857291 /nfs/dbraw/zinc/85/72/91/721857291.db2.gz NROMMKSTRACTFK-STQMWFEESA-N 1 1 353.854 2.166 20 5 FEBDMO O=[N+]([O-])c1ccc2c(ccnc2N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)c1 ZINC001164967617 722077877 /nfs/dbraw/zinc/07/78/77/722077877.db2.gz GXKOODOJDBAPGV-CALCHBBNSA-N 1 1 354.410 2.442 20 5 FEBDMO C[N@H+](CCOc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027347939 539805587 /nfs/dbraw/zinc/80/55/87/539805587.db2.gz GMCLTWSOCBPHIN-UHFFFAOYSA-N 1 1 355.394 2.495 20 5 FEBDMO C[N@@H+](CCOc1ccccc1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000027347939 539805589 /nfs/dbraw/zinc/80/55/89/539805589.db2.gz GMCLTWSOCBPHIN-UHFFFAOYSA-N 1 1 355.394 2.495 20 5 FEBDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000029724643 539861972 /nfs/dbraw/zinc/86/19/72/539861972.db2.gz RKEZAGPOCUHAPI-QGZVFWFLSA-N 1 1 373.409 2.425 20 5 FEBDMO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000029724643 539861974 /nfs/dbraw/zinc/86/19/74/539861974.db2.gz RKEZAGPOCUHAPI-QGZVFWFLSA-N 1 1 373.409 2.425 20 5 FEBDMO C[C@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000031353474 539906487 /nfs/dbraw/zinc/90/64/87/539906487.db2.gz ZNDYFDJUVHFALV-LURJTMIESA-N 1 1 368.806 2.322 20 5 FEBDMO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000032427989 539938162 /nfs/dbraw/zinc/93/81/62/539938162.db2.gz FJTMUGOUZBFBLI-NSHDSACASA-N 1 1 360.439 2.415 20 5 FEBDMO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000032427989 539938166 /nfs/dbraw/zinc/93/81/66/539938166.db2.gz FJTMUGOUZBFBLI-NSHDSACASA-N 1 1 360.439 2.415 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043121999 540089650 /nfs/dbraw/zinc/08/96/50/540089650.db2.gz NQZCOQHRNINAIQ-BETUJISGSA-N 1 1 366.418 2.224 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000046034339 540238627 /nfs/dbraw/zinc/23/86/27/540238627.db2.gz XWHZKFVXGYHFEB-JSGCOSHPSA-N 1 1 355.460 2.302 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1ccco1 ZINC000046762593 540269996 /nfs/dbraw/zinc/26/99/96/540269996.db2.gz ADEBVSBJZSTSJF-INIZCTEOSA-N 1 1 369.381 2.406 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000047145464 540292525 /nfs/dbraw/zinc/29/25/25/540292525.db2.gz DNDAYUPLNBSOFY-ZDUSSCGKSA-N 1 1 363.414 2.233 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1 ZINC000047743999 540326871 /nfs/dbraw/zinc/32/68/71/540326871.db2.gz JRTQOKVFLPTFGL-SFHVURJKSA-N 1 1 357.410 2.157 20 5 FEBDMO CC[NH+]1CCN(C(=O)CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000050123199 540400422 /nfs/dbraw/zinc/40/04/22/540400422.db2.gz ANQRZFJGSJHDHJ-UHFFFAOYSA-N 1 1 360.336 2.190 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000053845851 540558090 /nfs/dbraw/zinc/55/80/90/540558090.db2.gz OGNLEVGDLGDGAV-AWEZNQCLSA-N 1 1 374.441 2.256 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000054038928 540565829 /nfs/dbraw/zinc/56/58/29/540565829.db2.gz CIXZAAXBVZBVLT-HNNXBMFYSA-N 1 1 361.402 2.202 20 5 FEBDMO COc1cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000055406606 540652259 /nfs/dbraw/zinc/65/22/59/540652259.db2.gz ONTPMBPCDFHKOL-CHWSQXEVSA-N 1 1 365.430 2.462 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1OC ZINC000057715256 540811107 /nfs/dbraw/zinc/81/11/07/540811107.db2.gz UYMQTFZHQIBFGD-NSHDSACASA-N 1 1 351.403 2.215 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000060950684 541124024 /nfs/dbraw/zinc/12/40/24/541124024.db2.gz HEVLZXVFGJAXCV-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H](O)Cn2cnc3cc4ccccc4cc3c2=O)C[C@@H](C)O1 ZINC000066482660 541324533 /nfs/dbraw/zinc/32/45/33/541324533.db2.gz BAPQCSUNRZNMRW-RKVPGOIHSA-N 1 1 367.449 2.020 20 5 FEBDMO C[NH+]1CCN(C(=O)CC2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)CC1 ZINC000066860386 541382131 /nfs/dbraw/zinc/38/21/31/541382131.db2.gz BTOSKAZJRNEOGP-UHFFFAOYSA-N 1 1 364.421 2.114 20 5 FEBDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000067244598 541435530 /nfs/dbraw/zinc/43/55/30/541435530.db2.gz OUDMJVLMIIWKQZ-OAHLLOKOSA-N 1 1 361.423 2.276 20 5 FEBDMO Cc1sc(C(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1[N+](=O)[O-] ZINC000068095588 541547924 /nfs/dbraw/zinc/54/79/24/541547924.db2.gz ZXAXYUXHQICSAI-NSHDSACASA-N 1 1 353.444 2.290 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069034481 541650455 /nfs/dbraw/zinc/65/04/55/541650455.db2.gz YEUFKNBZEPFRPP-AWEZNQCLSA-N 1 1 350.419 2.147 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000072716588 541855321 /nfs/dbraw/zinc/85/53/21/541855321.db2.gz MSDHPRINCPNJQZ-MRXNPFEDSA-N 1 1 367.471 2.088 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000072716915 541857038 /nfs/dbraw/zinc/85/70/38/541857038.db2.gz OTIKDTVVJUIECQ-OAHLLOKOSA-N 1 1 367.471 2.256 20 5 FEBDMO CC(C)N1C(=O)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000072795458 541866291 /nfs/dbraw/zinc/86/62/91/541866291.db2.gz LDCVXDDJWQVYQT-UHFFFAOYSA-N 1 1 362.430 2.255 20 5 FEBDMO CC(C)N1C(=O)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000072795458 541866296 /nfs/dbraw/zinc/86/62/96/541866296.db2.gz LDCVXDDJWQVYQT-UHFFFAOYSA-N 1 1 362.430 2.255 20 5 FEBDMO C[C@@H](CC[NH+]1CCOCC1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000074105027 542037203 /nfs/dbraw/zinc/03/72/03/542037203.db2.gz DJIQQEBPERJPNI-HNNXBMFYSA-N 1 1 364.446 2.014 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000074390643 542078607 /nfs/dbraw/zinc/07/86/07/542078607.db2.gz YMMOQXURXXGEQJ-UHFFFAOYSA-N 1 1 374.441 2.119 20 5 FEBDMO CN(C(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074448494 542085835 /nfs/dbraw/zinc/08/58/35/542085835.db2.gz PNBBIDDIZYTKQC-KRWDZBQOSA-N 1 1 371.441 2.304 20 5 FEBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000074971134 542142924 /nfs/dbraw/zinc/14/29/24/542142924.db2.gz GCTOEOBKYLYGBI-CMPLNLGQSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000075898749 542214426 /nfs/dbraw/zinc/21/44/26/542214426.db2.gz BECHKYATCMYMMA-HKUYNNGSSA-N 1 1 360.410 2.390 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000076329628 542261439 /nfs/dbraw/zinc/26/14/39/542261439.db2.gz FQNOYARBDBXPNO-OAHLLOKOSA-N 1 1 350.419 2.262 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000081128381 542635463 /nfs/dbraw/zinc/63/54/63/542635463.db2.gz SGVSSJNIAJWCMC-QGZVFWFLSA-N 1 1 371.441 2.223 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000089933237 542775750 /nfs/dbraw/zinc/77/57/50/542775750.db2.gz XSDTVMGIVKAKLX-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093813448 542941477 /nfs/dbraw/zinc/94/14/77/542941477.db2.gz LYJKPZRGZNHKPJ-SFHVURJKSA-N 1 1 358.398 2.380 20 5 FEBDMO CNC(=O)[C@@H]1CCCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104672754 543136956 /nfs/dbraw/zinc/13/69/56/543136956.db2.gz QZADNAMZLAOWSQ-HNNXBMFYSA-N 1 1 358.398 2.393 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000107892530 543281036 /nfs/dbraw/zinc/28/10/36/543281036.db2.gz AUGPTXOMSKLPJO-AWEZNQCLSA-N 1 1 367.471 2.295 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000108784897 543302794 /nfs/dbraw/zinc/30/27/94/543302794.db2.gz NUPPSAVNGADNHG-HNNXBMFYSA-N 1 1 372.469 2.412 20 5 FEBDMO Cc1nn(Cc2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)c(C)c1[N+](=O)[O-] ZINC000110652552 543364150 /nfs/dbraw/zinc/36/41/50/543364150.db2.gz UZXRCGYYRKARFS-MRXNPFEDSA-N 1 1 371.441 2.138 20 5 FEBDMO O=C(C[NH+]1CCC(n2ccnc2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000111243466 543389257 /nfs/dbraw/zinc/38/92/57/543389257.db2.gz VAGUUDUNBSDJBN-UHFFFAOYSA-N 1 1 355.398 2.018 20 5 FEBDMO COC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112991299 543471472 /nfs/dbraw/zinc/47/14/72/543471472.db2.gz UCIWNATYFYYLMP-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112991299 543471474 /nfs/dbraw/zinc/47/14/74/543471474.db2.gz UCIWNATYFYYLMP-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO CCC[N@H+]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000114462841 543517608 /nfs/dbraw/zinc/51/76/08/543517608.db2.gz VDFMXHBBZOOYSR-UHFFFAOYSA-N 1 1 364.446 2.350 20 5 FEBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000115432663 543566768 /nfs/dbraw/zinc/56/67/68/543566768.db2.gz WGQIDUMTCQHGLR-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000247477461 549339851 /nfs/dbraw/zinc/33/98/51/549339851.db2.gz SNBPUIWIOPPKRE-CXAGYDPISA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000119429209 543666891 /nfs/dbraw/zinc/66/68/91/543666891.db2.gz XOOAAKRTAOADQD-XJKSGUPXSA-N 1 1 361.446 2.002 20 5 FEBDMO CCCc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000124328902 543814057 /nfs/dbraw/zinc/81/40/57/543814057.db2.gz QZHYAGRBVHBCOE-CYBMUJFWSA-N 1 1 351.451 2.368 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)CC[N@H+]1C ZINC000124667316 543835851 /nfs/dbraw/zinc/83/58/51/543835851.db2.gz CHYVQKBAHWVQJZ-DYVFJYSZSA-N 1 1 357.414 2.335 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000125374113 543877999 /nfs/dbraw/zinc/87/79/99/543877999.db2.gz FIDNUDWDQSEAPU-RDTXWAMCSA-N 1 1 359.426 2.449 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000127744245 544011417 /nfs/dbraw/zinc/01/14/17/544011417.db2.gz GMMROPCAQOHUKX-AWEZNQCLSA-N 1 1 363.462 2.445 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000129175128 544095170 /nfs/dbraw/zinc/09/51/70/544095170.db2.gz CNJMXQYPGVEGLA-OKILXGFUSA-N 1 1 364.446 2.011 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)CNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000129175128 544095173 /nfs/dbraw/zinc/09/51/73/544095173.db2.gz CNJMXQYPGVEGLA-OKILXGFUSA-N 1 1 364.446 2.011 20 5 FEBDMO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000130641497 544159254 /nfs/dbraw/zinc/15/92/54/544159254.db2.gz INVRBEHLYQWUNK-KBPBESRZSA-N 1 1 355.460 2.135 20 5 FEBDMO CCC[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCOC ZINC000130933231 544171384 /nfs/dbraw/zinc/17/13/84/544171384.db2.gz BBWOMEMDVJIDNY-INIZCTEOSA-N 1 1 367.421 2.236 20 5 FEBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000131457607 544190861 /nfs/dbraw/zinc/19/08/61/544190861.db2.gz FVOPTILTMJOWLU-OAHLLOKOSA-N 1 1 366.849 2.162 20 5 FEBDMO CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@@H]1COc2ccccc2O1 ZINC000131155632 544178894 /nfs/dbraw/zinc/17/88/94/544178894.db2.gz WPMHYKCZFAXZBE-MRXNPFEDSA-N 1 1 373.409 2.309 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000131531787 544194418 /nfs/dbraw/zinc/19/44/18/544194418.db2.gz NHMOBHMWYRHRET-CZUORRHYSA-N 1 1 371.441 2.277 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000150968961 544491982 /nfs/dbraw/zinc/49/19/82/544491982.db2.gz CZXKBRMWOCJWBU-OCCSQVGLSA-N 1 1 362.386 2.368 20 5 FEBDMO COc1cc(S(=O)(=O)NCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000150777164 544469150 /nfs/dbraw/zinc/46/91/50/544469150.db2.gz UDLVNGWTEQKFHA-CYBMUJFWSA-N 1 1 371.459 2.146 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000152372815 544644380 /nfs/dbraw/zinc/64/43/80/544644380.db2.gz QXBBSDZGEWNTJU-UHFFFAOYSA-N 1 1 374.235 2.055 20 5 FEBDMO O=c1[nH]c(CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc2ccccc21 ZINC000153254100 544752727 /nfs/dbraw/zinc/75/27/27/544752727.db2.gz NKLQZEMYJVHRTG-UHFFFAOYSA-N 1 1 350.378 2.432 20 5 FEBDMO O=c1[nH]c(CC[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)nc2ccccc21 ZINC000153254100 544752731 /nfs/dbraw/zinc/75/27/31/544752731.db2.gz NKLQZEMYJVHRTG-UHFFFAOYSA-N 1 1 350.378 2.432 20 5 FEBDMO COC(=O)[C@H](C)C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000153722562 544813474 /nfs/dbraw/zinc/81/34/74/544813474.db2.gz OPTATSJOXZDPKB-SNVBAGLBSA-N 1 1 369.805 2.460 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000153722562 544813477 /nfs/dbraw/zinc/81/34/77/544813477.db2.gz OPTATSJOXZDPKB-SNVBAGLBSA-N 1 1 369.805 2.460 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000153775772 544822113 /nfs/dbraw/zinc/82/21/13/544822113.db2.gz JFTYSUBUCHXPEC-QXGSTGNESA-N 1 1 363.458 2.202 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000153775772 544822117 /nfs/dbraw/zinc/82/21/17/544822117.db2.gz JFTYSUBUCHXPEC-QXGSTGNESA-N 1 1 363.458 2.202 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000153775772 544822121 /nfs/dbraw/zinc/82/21/21/544822121.db2.gz JFTYSUBUCHXPEC-QXGSTGNESA-N 1 1 363.458 2.202 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000553316927 674252929 /nfs/dbraw/zinc/25/29/29/674252929.db2.gz GNTSMPPZTLNHBW-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](CC)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000553316927 674252934 /nfs/dbraw/zinc/25/29/34/674252934.db2.gz GNTSMPPZTLNHBW-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CSc1cccc(C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000187095138 328001952 /nfs/dbraw/zinc/00/19/52/328001952.db2.gz HHYQGEIREKUGDP-ZDUSSCGKSA-N 1 1 366.487 2.073 20 5 FEBDMO CC[C@]1(CO)CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187609771 328035845 /nfs/dbraw/zinc/03/58/45/328035845.db2.gz YWNOKBTWZBSGGT-SFHVURJKSA-N 1 1 365.430 2.417 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187903603 328053454 /nfs/dbraw/zinc/05/34/54/328053454.db2.gz MIVMSQVSNMEIAL-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO COCCO[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000189675081 328161468 /nfs/dbraw/zinc/16/14/68/328161468.db2.gz DNGDFSGKFAOREM-WFASDCNBSA-N 1 1 362.386 2.443 20 5 FEBDMO COCCO[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000189675081 328161469 /nfs/dbraw/zinc/16/14/69/328161469.db2.gz DNGDFSGKFAOREM-WFASDCNBSA-N 1 1 362.386 2.443 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](CC(C)(C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000189916441 328175871 /nfs/dbraw/zinc/17/58/71/328175871.db2.gz KHUCRQSLYMYYSX-UHFFFAOYSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](CC(C)(C)O)C2CC2)c([N+](=O)[O-])c1 ZINC000189916441 328175873 /nfs/dbraw/zinc/17/58/73/328175873.db2.gz KHUCRQSLYMYYSX-UHFFFAOYSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@]2(CO)CC(C)C)c([N+](=O)[O-])c1 ZINC000191652024 328276037 /nfs/dbraw/zinc/27/60/37/328276037.db2.gz QXOTXCISNLSLQI-GOSISDBHSA-N 1 1 365.430 2.415 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000191710676 328278229 /nfs/dbraw/zinc/27/82/29/328278229.db2.gz UXODXLKRVJRREQ-DZGCQCFKSA-N 1 1 357.414 2.062 20 5 FEBDMO COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000193622303 328386126 /nfs/dbraw/zinc/38/61/26/328386126.db2.gz LYKGBVXDTVWQKK-BETUJISGSA-N 1 1 371.384 2.241 20 5 FEBDMO COC(=O)c1cc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000193738712 328392447 /nfs/dbraw/zinc/39/24/47/328392447.db2.gz MBCYRHKFOPGAKA-OKILXGFUSA-N 1 1 365.430 2.235 20 5 FEBDMO COC(=O)c1cc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000193738712 328392448 /nfs/dbraw/zinc/39/24/48/328392448.db2.gz MBCYRHKFOPGAKA-OKILXGFUSA-N 1 1 365.430 2.235 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000054150938 324758019 /nfs/dbraw/zinc/75/80/19/324758019.db2.gz YFLJKXNEWLUINM-RYUDHWBXSA-N 1 1 353.394 2.352 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000054625925 324764251 /nfs/dbraw/zinc/76/42/51/324764251.db2.gz KTPUASYLJHFURX-UHFFFAOYSA-N 1 1 367.365 2.423 20 5 FEBDMO C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cc(=O)[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000080717422 325141199 /nfs/dbraw/zinc/14/11/99/325141199.db2.gz QMMCLISERMEZBF-YHWZYXNKSA-N 1 1 370.409 2.181 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000081516148 325180159 /nfs/dbraw/zinc/18/01/59/325180159.db2.gz NTQOCDPEHOQQSE-HNNXBMFYSA-N 1 1 360.458 2.148 20 5 FEBDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090451 325228222 /nfs/dbraw/zinc/22/82/22/325228222.db2.gz GNVAMXNLAIZKRO-CVEARBPZSA-N 1 1 356.444 2.261 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000084090451 325228225 /nfs/dbraw/zinc/22/82/25/325228225.db2.gz GNVAMXNLAIZKRO-CVEARBPZSA-N 1 1 356.444 2.261 20 5 FEBDMO CCC[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000804586418 674293076 /nfs/dbraw/zinc/29/30/76/674293076.db2.gz BWHVJHGHLKTXTM-ZDUSSCGKSA-N 1 1 352.391 2.440 20 5 FEBDMO CCC[C@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000804586418 674293077 /nfs/dbraw/zinc/29/30/77/674293077.db2.gz BWHVJHGHLKTXTM-ZDUSSCGKSA-N 1 1 352.391 2.440 20 5 FEBDMO CCOc1cc(N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000089265548 325309432 /nfs/dbraw/zinc/30/94/32/325309432.db2.gz WHLGSHCATFPSHT-ZDUSSCGKSA-N 1 1 351.403 2.067 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000090554323 325363528 /nfs/dbraw/zinc/36/35/28/325363528.db2.gz RKLPGJPAVFDEFK-GOSISDBHSA-N 1 1 357.410 2.128 20 5 FEBDMO CCCc1n[nH]c(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)c1[N+](=O)[O-] ZINC000109619833 325670750 /nfs/dbraw/zinc/67/07/50/325670750.db2.gz MGQTVRZFTMIQNC-UHFFFAOYSA-N 1 1 369.385 2.090 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000118113015 326082156 /nfs/dbraw/zinc/08/21/56/326082156.db2.gz BBTNCUGOFRZNLX-AWEZNQCLSA-N 1 1 362.430 2.078 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000118792961 326102707 /nfs/dbraw/zinc/10/27/07/326102707.db2.gz GJOUQMHZNJDTNK-AWEZNQCLSA-N 1 1 363.462 2.298 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000118842459 326107604 /nfs/dbraw/zinc/10/76/04/326107604.db2.gz WUUZYELBAQXAIV-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000118842459 326107607 /nfs/dbraw/zinc/10/76/07/326107607.db2.gz WUUZYELBAQXAIV-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000119129357 326129772 /nfs/dbraw/zinc/12/97/72/326129772.db2.gz USSJJAAGNMFJIH-AWEZNQCLSA-N 1 1 367.471 2.500 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119429524 326161617 /nfs/dbraw/zinc/16/16/17/326161617.db2.gz LMMBOPORECPHNB-OAHLLOKOSA-N 1 1 372.429 2.236 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119429383 326161653 /nfs/dbraw/zinc/16/16/53/326161653.db2.gz LMMBOPORECPHNB-HNNXBMFYSA-N 1 1 372.429 2.236 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120203115 326240415 /nfs/dbraw/zinc/24/04/15/326240415.db2.gz YEOVLKKMGHAJIU-LLLHUVSDSA-N 1 1 350.415 2.080 20 5 FEBDMO Cc1c(NC(=O)C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)cccc1[N+](=O)[O-] ZINC000121709456 326360324 /nfs/dbraw/zinc/36/03/24/326360324.db2.gz ZQTSHZBYIPIHEX-CYBMUJFWSA-N 1 1 374.441 2.317 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000121766488 326365181 /nfs/dbraw/zinc/36/51/81/326365181.db2.gz ICNBWMBSQXCXCN-CQSZACIVSA-N 1 1 374.441 2.317 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000121969810 326378976 /nfs/dbraw/zinc/37/89/76/326378976.db2.gz GRBQEERAUDKRSA-GDBMZVCRSA-N 1 1 374.441 2.093 20 5 FEBDMO C[NH+](C)[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000135537531 326643630 /nfs/dbraw/zinc/64/36/30/326643630.db2.gz IUVFOGFUQOYTOG-MAUKXSAKSA-N 1 1 369.425 2.306 20 5 FEBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000159144683 326920796 /nfs/dbraw/zinc/92/07/96/326920796.db2.gz XTWIJPZGFHZXQO-UHFFFAOYSA-N 1 1 365.393 2.429 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000160416981 326964984 /nfs/dbraw/zinc/96/49/84/326964984.db2.gz PUMSGLRYNSFRCE-RYUDHWBXSA-N 1 1 353.394 2.352 20 5 FEBDMO CS(=O)(=O)c1ccc(N2CCC[C@@H]2C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000160431717 326965487 /nfs/dbraw/zinc/96/54/87/326965487.db2.gz BXFNYOXTTFZJQU-CQSZACIVSA-N 1 1 367.471 2.453 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000172048424 327177883 /nfs/dbraw/zinc/17/78/83/327177883.db2.gz RATLQQHLYJNZDQ-PRCBLGNRSA-N 1 1 363.414 2.023 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c([N+](=O)[O-])c1 ZINC000172048424 327177884 /nfs/dbraw/zinc/17/78/84/327177884.db2.gz RATLQQHLYJNZDQ-PRCBLGNRSA-N 1 1 363.414 2.023 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])CC1 ZINC000172232540 327188572 /nfs/dbraw/zinc/18/85/72/327188572.db2.gz RSZHXTMEOQWLIY-UHFFFAOYSA-N 1 1 351.451 2.464 20 5 FEBDMO CCCC[N@H+](C)CC1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])CC1 ZINC000172232540 327188573 /nfs/dbraw/zinc/18/85/73/327188573.db2.gz RSZHXTMEOQWLIY-UHFFFAOYSA-N 1 1 351.451 2.464 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])CC1 ZINC000172232540 327188574 /nfs/dbraw/zinc/18/85/74/327188574.db2.gz RSZHXTMEOQWLIY-UHFFFAOYSA-N 1 1 351.451 2.464 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000172485192 327203788 /nfs/dbraw/zinc/20/37/88/327203788.db2.gz AUMPGGCGFNOZAS-RDJZCZTQSA-N 1 1 371.441 2.303 20 5 FEBDMO C[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2)(N2CCCCC2)CC1 ZINC000172755167 327217176 /nfs/dbraw/zinc/21/71/76/327217176.db2.gz FDFKMXHWTCWCFT-UHFFFAOYSA-N 1 1 360.458 2.275 20 5 FEBDMO Cc1nn(CCC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000173263019 327244880 /nfs/dbraw/zinc/24/48/80/327244880.db2.gz VBKLUZDOGPKLOT-MRXNPFEDSA-N 1 1 363.462 2.179 20 5 FEBDMO Cc1nn(C)c(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000173614552 327271301 /nfs/dbraw/zinc/27/13/01/327271301.db2.gz KXLNTFMXAGVWDU-ZDUSSCGKSA-N 1 1 359.430 2.277 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173830069 327287392 /nfs/dbraw/zinc/28/73/92/327287392.db2.gz DPKORCGBQZHCGC-WCQYABFASA-N 1 1 373.862 2.496 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000173831789 327287513 /nfs/dbraw/zinc/28/75/13/327287513.db2.gz WOHPZSBDZABNIV-VXGBXAGGSA-N 1 1 373.862 2.496 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])C1 ZINC000174023402 327302094 /nfs/dbraw/zinc/30/20/94/327302094.db2.gz MVDGDLDVNBORDL-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174213545 327313447 /nfs/dbraw/zinc/31/34/47/327313447.db2.gz GQEMSETXXPQRPY-GFCCVEGCSA-N 1 1 353.806 2.043 20 5 FEBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCc2ccccc2C1 ZINC000174751314 327348408 /nfs/dbraw/zinc/34/84/08/327348408.db2.gz XFPVNKURQBJLEX-IEBWSBKVSA-N 1 1 358.442 2.422 20 5 FEBDMO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1c(F)cccc1F ZINC000174808517 327352676 /nfs/dbraw/zinc/35/26/76/327352676.db2.gz CWMIOPDXODMXJP-UHFFFAOYSA-N 1 1 353.329 2.030 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(=O)Nc1c(F)cccc1F ZINC000174808517 327352677 /nfs/dbraw/zinc/35/26/77/327352677.db2.gz CWMIOPDXODMXJP-UHFFFAOYSA-N 1 1 353.329 2.030 20 5 FEBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)CNc2ccccc2[N+](=O)[O-])cc1 ZINC000175106632 327374631 /nfs/dbraw/zinc/37/46/31/327374631.db2.gz BLTOFSABOKCDCR-UHFFFAOYSA-N 1 1 371.397 2.146 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000175399804 327390699 /nfs/dbraw/zinc/39/06/99/327390699.db2.gz FGONNUVPFYWYBY-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO Cc1c(NC(=O)N2CC[NH+](CCOC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000175643400 327404128 /nfs/dbraw/zinc/40/41/28/327404128.db2.gz DZPPCKCNUOCFGY-UHFFFAOYSA-N 1 1 350.419 2.478 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265294709 329111579 /nfs/dbraw/zinc/11/15/79/329111579.db2.gz NGEPJGIIRBAJKD-CVEARBPZSA-N 1 1 356.382 2.205 20 5 FEBDMO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1OC ZINC000266378569 329216730 /nfs/dbraw/zinc/21/67/30/329216730.db2.gz SWAWBMWKVZDRDO-AGUYFDCRSA-N 1 1 363.414 2.357 20 5 FEBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000266648339 329245657 /nfs/dbraw/zinc/24/56/57/329245657.db2.gz NDAPOBXNQYEFEK-AWEZNQCLSA-N 1 1 373.413 2.151 20 5 FEBDMO C[C@H](O)CC[N@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266746708 329255423 /nfs/dbraw/zinc/25/54/23/329255423.db2.gz ONWDIUMUGUHDDT-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO C[C@H](O)CC[N@@H+](C)CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000266746708 329255424 /nfs/dbraw/zinc/25/54/24/329255424.db2.gz ONWDIUMUGUHDDT-NSHDSACASA-N 1 1 364.427 2.360 20 5 FEBDMO COc1cc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)ccc1O ZINC000266908275 329271592 /nfs/dbraw/zinc/27/15/92/329271592.db2.gz ILJHZTSFZMATQJ-OAHLLOKOSA-N 1 1 362.382 2.181 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cccc1[N+](=O)[O-] ZINC000367038862 330210155 /nfs/dbraw/zinc/21/01/55/330210155.db2.gz RSWQSHBHSFXZIP-YOEHRIQHSA-N 1 1 374.441 2.222 20 5 FEBDMO CCOC(=O)C(C)(C)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411387312 330256716 /nfs/dbraw/zinc/25/67/16/330256716.db2.gz ZQXWIACVLUCBJP-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO CCOC(=O)C(C)(C)[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411387312 330256717 /nfs/dbraw/zinc/25/67/17/330256717.db2.gz ZQXWIACVLUCBJP-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](CCO)[C@H]1CCCSC1 ZINC000433183108 330275160 /nfs/dbraw/zinc/27/51/60/330275160.db2.gz RJPVNBXYRYZDST-HNNXBMFYSA-N 1 1 367.471 2.422 20 5 FEBDMO COc1ccc(CSCC(=O)N2[C@H](C)C[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155419136 545524090 /nfs/dbraw/zinc/52/40/90/545524090.db2.gz VZTZDUYTSNKMEN-BETUJISGSA-N 1 1 367.471 2.388 20 5 FEBDMO COc1ccc(CSCC(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155419136 545524093 /nfs/dbraw/zinc/52/40/93/545524093.db2.gz VZTZDUYTSNKMEN-BETUJISGSA-N 1 1 367.471 2.388 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000155793064 545570505 /nfs/dbraw/zinc/57/05/05/545570505.db2.gz BOPXZMAXKPDEBD-UHFFFAOYSA-N 1 1 351.403 2.290 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(n4cncn4)CC3)o2)cc1 ZINC000156615730 545639446 /nfs/dbraw/zinc/63/94/46/545639446.db2.gz XOTHCDKHXLGPAV-UHFFFAOYSA-N 1 1 355.358 2.073 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000157016812 545687977 /nfs/dbraw/zinc/68/79/77/545687977.db2.gz UTDSJUNJUOPXMM-OAHLLOKOSA-N 1 1 358.402 2.197 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000157016812 545687979 /nfs/dbraw/zinc/68/79/79/545687979.db2.gz UTDSJUNJUOPXMM-OAHLLOKOSA-N 1 1 358.402 2.197 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000157626966 545763413 /nfs/dbraw/zinc/76/34/13/545763413.db2.gz OERDRVHUCTYORC-UHFFFAOYSA-N 1 1 350.419 2.214 20 5 FEBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158290220 545845137 /nfs/dbraw/zinc/84/51/37/545845137.db2.gz KDEQQFJNKSYYQL-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000158290220 545845147 /nfs/dbraw/zinc/84/51/47/545845147.db2.gz KDEQQFJNKSYYQL-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@H+]1CCCC[C@@H]1C ZINC000478583244 561170239 /nfs/dbraw/zinc/17/02/39/561170239.db2.gz GWLQCMAXZSSDMS-QWHCGFSZSA-N 1 1 363.414 2.359 20 5 FEBDMO C[C@@]1(c2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3F)cc2)NC(=O)NC1=O ZINC000479921161 561199593 /nfs/dbraw/zinc/19/95/93/561199593.db2.gz TYEQTEGLHWQZAD-SFHVURJKSA-N 1 1 372.356 2.078 20 5 FEBDMO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccccc1OC ZINC000176193328 546418266 /nfs/dbraw/zinc/41/82/66/546418266.db2.gz GSXJGZOBRANQGP-UHFFFAOYSA-N 1 1 361.402 2.151 20 5 FEBDMO CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC(=O)Nc1ccccc1OC ZINC000176193328 546418269 /nfs/dbraw/zinc/41/82/69/546418269.db2.gz GSXJGZOBRANQGP-UHFFFAOYSA-N 1 1 361.402 2.151 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000480513443 561211052 /nfs/dbraw/zinc/21/10/52/561211052.db2.gz CVJWGPUIFNBJIA-CQSZACIVSA-N 1 1 370.475 2.309 20 5 FEBDMO C[N@@H+](CCNC(=O)COc1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000177057208 546535591 /nfs/dbraw/zinc/53/55/91/546535591.db2.gz AWWWOHAANOVHSJ-UHFFFAOYSA-N 1 1 361.373 2.361 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)N2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000177762673 546682137 /nfs/dbraw/zinc/68/21/37/546682137.db2.gz MMUHMOANZUSMDX-ZIAGYGMSSA-N 1 1 362.430 2.101 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000179766157 547010511 /nfs/dbraw/zinc/01/05/11/547010511.db2.gz WUONQDAFHYUCLT-UHFFFAOYSA-N 1 1 367.471 2.236 20 5 FEBDMO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000180496269 547119379 /nfs/dbraw/zinc/11/93/79/547119379.db2.gz PVMWCYHRYXPNKQ-CQSZACIVSA-N 1 1 359.386 2.122 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccco1 ZINC000180533489 547126374 /nfs/dbraw/zinc/12/63/74/547126374.db2.gz SANKUKVEXUZFLU-WBVHZDCISA-N 1 1 372.381 2.100 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000180903568 547206846 /nfs/dbraw/zinc/20/68/46/547206846.db2.gz BOPJTAKXAMFRBU-NSHDSACASA-N 1 1 373.356 2.270 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000483113185 561267694 /nfs/dbraw/zinc/26/76/94/561267694.db2.gz UQHNYQCZMVPMRL-QGZVFWFLSA-N 1 1 370.409 2.390 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000483113185 561267695 /nfs/dbraw/zinc/26/76/95/561267695.db2.gz UQHNYQCZMVPMRL-QGZVFWFLSA-N 1 1 370.409 2.390 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000181290138 547287946 /nfs/dbraw/zinc/28/79/46/547287946.db2.gz XONUNDHLTGCOBM-OAHLLOKOSA-N 1 1 367.413 2.456 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000181484457 547322272 /nfs/dbraw/zinc/32/22/72/547322272.db2.gz AJVQJEFOUYJTMD-CJNGLKHVSA-N 1 1 365.430 2.415 20 5 FEBDMO CNC(=O)C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000483416982 561276574 /nfs/dbraw/zinc/27/65/74/561276574.db2.gz HKKCSQRVZQAGCJ-OAHLLOKOSA-N 1 1 353.382 2.438 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000182099599 547437317 /nfs/dbraw/zinc/43/73/17/547437317.db2.gz SWPRIYHOCRUNFZ-LBPRGKRZSA-N 1 1 355.822 2.317 20 5 FEBDMO CNC(=O)[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000182480544 547499861 /nfs/dbraw/zinc/49/98/61/547499861.db2.gz RKNOAFYFECDPJV-HNNXBMFYSA-N 1 1 361.423 2.270 20 5 FEBDMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CCO1 ZINC000182480544 547499864 /nfs/dbraw/zinc/49/98/64/547499864.db2.gz RKNOAFYFECDPJV-HNNXBMFYSA-N 1 1 361.423 2.270 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000183400225 547650991 /nfs/dbraw/zinc/65/09/91/547650991.db2.gz LYKMZXYXTUNYFR-GOSISDBHSA-N 1 1 369.421 2.400 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000183749037 547712065 /nfs/dbraw/zinc/71/20/65/547712065.db2.gz TWXQFRLEVVVMFD-LBPRGKRZSA-N 1 1 371.846 2.191 20 5 FEBDMO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC2 ZINC000184221261 547790387 /nfs/dbraw/zinc/79/03/87/547790387.db2.gz DTSZWBVCLXNXJJ-IAGOWNOFSA-N 1 1 368.405 2.494 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000184730914 547871612 /nfs/dbraw/zinc/87/16/12/547871612.db2.gz NFKPJBLMZWTUBG-UHFFFAOYSA-N 1 1 358.826 2.016 20 5 FEBDMO CCOC(=O)c1cc(N[C@H](C)CCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000184827228 547883839 /nfs/dbraw/zinc/88/38/39/547883839.db2.gz BZSSOYKSENUFJU-CQSZACIVSA-N 1 1 364.446 2.209 20 5 FEBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000186138162 548090413 /nfs/dbraw/zinc/09/04/13/548090413.db2.gz QYYPJUCYCHQGDG-QGZVFWFLSA-N 1 1 359.430 2.064 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CCO)CC1CCCCC1 ZINC000485877524 561330818 /nfs/dbraw/zinc/33/08/18/561330818.db2.gz SDXMAUVAKKVSPG-INIZCTEOSA-N 1 1 352.431 2.209 20 5 FEBDMO CSc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)cc1[N+](=O)[O-] ZINC000186934222 548222598 /nfs/dbraw/zinc/22/25/98/548222598.db2.gz GMIFSQDCUBPWTM-GFCCVEGCSA-N 1 1 367.471 2.234 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000194031640 548425323 /nfs/dbraw/zinc/42/53/23/548425323.db2.gz FSBCBUVNZVENDS-KRWDZBQOSA-N 1 1 370.409 2.336 20 5 FEBDMO O=C(C[N@@H+](CCCO)Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000486809495 561357061 /nfs/dbraw/zinc/35/70/61/561357061.db2.gz FTFJKJNWPBPNRR-UHFFFAOYSA-N 1 1 369.421 2.369 20 5 FEBDMO O=C(C[N@H+](CCCO)Cc1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000486809495 561357062 /nfs/dbraw/zinc/35/70/62/561357062.db2.gz FTFJKJNWPBPNRR-UHFFFAOYSA-N 1 1 369.421 2.369 20 5 FEBDMO COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000486891646 561358976 /nfs/dbraw/zinc/35/89/76/561358976.db2.gz DCRSIQIDBSZXLH-VXGBXAGGSA-N 1 1 364.402 2.246 20 5 FEBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000487819231 561376661 /nfs/dbraw/zinc/37/66/61/561376661.db2.gz PMDAWOQOAURSRY-CYBMUJFWSA-N 1 1 352.822 2.327 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245408330 548908982 /nfs/dbraw/zinc/90/89/82/548908982.db2.gz GQMCWSMQQTVWKY-RYUDHWBXSA-N 1 1 359.386 2.293 20 5 FEBDMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000245632307 548962004 /nfs/dbraw/zinc/96/20/04/548962004.db2.gz UABNMCQRFCLOLC-ZWKOTPCHSA-N 1 1 370.409 2.352 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]2N1C1CC1 ZINC000245925864 549021608 /nfs/dbraw/zinc/02/16/08/549021608.db2.gz XLSRYHBMBTXESK-FHLIZLRMSA-N 1 1 359.426 2.104 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]2N1C1CC1 ZINC000246225899 549083821 /nfs/dbraw/zinc/08/38/21/549083821.db2.gz FIDNUDWDQSEAPU-KBXCAEBGSA-N 1 1 359.426 2.449 20 5 FEBDMO C[C@@H]1CN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000488718754 561395267 /nfs/dbraw/zinc/39/52/67/561395267.db2.gz NAMRGMGFEBZWFH-ZDUSSCGKSA-N 1 1 367.471 2.309 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246625022 549177378 /nfs/dbraw/zinc/17/73/78/549177378.db2.gz KCXDKUOWERRCOQ-XJKSGUPXSA-N 1 1 363.414 2.433 20 5 FEBDMO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739069 561395798 /nfs/dbraw/zinc/39/57/98/561395798.db2.gz UZENVPBLBDOCDI-UMVBOHGHSA-N 1 1 367.471 2.165 20 5 FEBDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488739069 561395799 /nfs/dbraw/zinc/39/57/99/561395799.db2.gz UZENVPBLBDOCDI-UMVBOHGHSA-N 1 1 367.471 2.165 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cn3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000246842625 549226035 /nfs/dbraw/zinc/22/60/35/549226035.db2.gz VHHUQTONEIYHFG-LSDHHAIUSA-N 1 1 372.429 2.234 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)[C@H]1c1cccs1 ZINC000247156352 549292520 /nfs/dbraw/zinc/29/25/20/549292520.db2.gz AHQDDULAWOOVJR-LRDDRELGSA-N 1 1 363.443 2.052 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]21 ZINC000247933326 549393368 /nfs/dbraw/zinc/39/33/68/549393368.db2.gz CGALQKCVWYYMPZ-KBXCAEBGSA-N 1 1 369.425 2.337 20 5 FEBDMO Cc1ccc(C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000271247800 550357539 /nfs/dbraw/zinc/35/75/39/550357539.db2.gz HLNDLKNDDDJGAT-CQSZACIVSA-N 1 1 367.413 2.052 20 5 FEBDMO Cc1ccc(C[N@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000271247800 550357541 /nfs/dbraw/zinc/35/75/41/550357541.db2.gz HLNDLKNDDDJGAT-CQSZACIVSA-N 1 1 367.413 2.052 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1ccco1 ZINC000271338080 550366455 /nfs/dbraw/zinc/36/64/55/550366455.db2.gz STIWJERODATVFU-GFCCVEGCSA-N 1 1 361.383 2.225 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273512243 550501332 /nfs/dbraw/zinc/50/13/32/550501332.db2.gz XBABSGCLCDXNGY-UHFFFAOYSA-N 1 1 367.425 2.273 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000278555890 550798734 /nfs/dbraw/zinc/79/87/34/550798734.db2.gz MBRDKTSFWLCVFE-STQMWFEESA-N 1 1 350.419 2.130 20 5 FEBDMO C[C@@H]1C[C@@H](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000495456386 561488278 /nfs/dbraw/zinc/48/82/78/561488278.db2.gz AJVSFHUEHLRWRW-UKRRQHHQSA-N 1 1 357.414 2.348 20 5 FEBDMO C[C@@H]1C[C@@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000495456386 561488279 /nfs/dbraw/zinc/48/82/79/561488279.db2.gz AJVSFHUEHLRWRW-UKRRQHHQSA-N 1 1 357.414 2.348 20 5 FEBDMO C[C@@H]1C[C@@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000495456386 561488280 /nfs/dbraw/zinc/48/82/80/561488280.db2.gz AJVSFHUEHLRWRW-UKRRQHHQSA-N 1 1 357.414 2.348 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000496272250 561493334 /nfs/dbraw/zinc/49/33/34/561493334.db2.gz OADDNVYTRHXWHD-HNNXBMFYSA-N 1 1 357.414 2.445 20 5 FEBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000282657864 551256496 /nfs/dbraw/zinc/25/64/96/551256496.db2.gz GDZCMHXCWONFEJ-QGZVFWFLSA-N 1 1 371.441 2.208 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1(C)C ZINC000282849352 551277431 /nfs/dbraw/zinc/27/74/31/551277431.db2.gz WTMLSTMNHQFUSA-UHFFFAOYSA-N 1 1 369.853 2.396 20 5 FEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(Cc2cccnc2)nn1 ZINC000283073144 551307622 /nfs/dbraw/zinc/30/76/22/551307622.db2.gz QQKNGYLUDFPFTR-UHFFFAOYSA-N 1 1 352.398 2.304 20 5 FEBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn(Cc2cccnc2)nn1 ZINC000283073144 551307625 /nfs/dbraw/zinc/30/76/25/551307625.db2.gz QQKNGYLUDFPFTR-UHFFFAOYSA-N 1 1 352.398 2.304 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000284077080 551479766 /nfs/dbraw/zinc/47/97/66/551479766.db2.gz RHPBJSMUGYXJSD-UHFFFAOYSA-N 1 1 354.382 2.228 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284201465 551503238 /nfs/dbraw/zinc/50/32/38/551503238.db2.gz SMSUIXXQLDDESF-ZDUSSCGKSA-N 1 1 364.402 2.188 20 5 FEBDMO CCOC1CC2(C1)CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000285416370 551752936 /nfs/dbraw/zinc/75/29/36/551752936.db2.gz GDYDTUWDQNONJY-UHFFFAOYSA-N 1 1 363.414 2.433 20 5 FEBDMO CCOC1CC2(C1)CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000285416370 551752937 /nfs/dbraw/zinc/75/29/37/551752937.db2.gz GDYDTUWDQNONJY-UHFFFAOYSA-N 1 1 363.414 2.433 20 5 FEBDMO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286044633 551842165 /nfs/dbraw/zinc/84/21/65/551842165.db2.gz QWQOZTSJLBSAFB-HOCLYGCPSA-N 1 1 370.471 2.384 20 5 FEBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286044633 551842167 /nfs/dbraw/zinc/84/21/67/551842167.db2.gz QWQOZTSJLBSAFB-HOCLYGCPSA-N 1 1 370.471 2.384 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286393628 551882925 /nfs/dbraw/zinc/88/29/25/551882925.db2.gz ZDGQDCXCTVERJZ-UHFFFAOYSA-N 1 1 365.459 2.394 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286704529 551916813 /nfs/dbraw/zinc/91/68/13/551916813.db2.gz WLYAUUZNNPVSOO-JSGCOSHPSA-N 1 1 362.304 2.056 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286704529 551916814 /nfs/dbraw/zinc/91/68/14/551916814.db2.gz WLYAUUZNNPVSOO-JSGCOSHPSA-N 1 1 362.304 2.056 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288380333 552143903 /nfs/dbraw/zinc/14/39/03/552143903.db2.gz VICXAFKKJMASNM-YOEHRIQHSA-N 1 1 371.441 2.269 20 5 FEBDMO CN(C)c1cc(NC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc[nH+]1 ZINC000500422655 561572435 /nfs/dbraw/zinc/57/24/35/561572435.db2.gz JPSIDBNRSLCVDU-UHFFFAOYSA-N 1 1 358.354 2.008 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000500432806 561572953 /nfs/dbraw/zinc/57/29/53/561572953.db2.gz QLONEGVIOCAQMS-UHFFFAOYSA-N 1 1 369.425 2.234 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000500440971 561573032 /nfs/dbraw/zinc/57/30/32/561573032.db2.gz MNOWQEKPIFLBPH-KBPBESRZSA-N 1 1 371.441 2.372 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000500440971 561573033 /nfs/dbraw/zinc/57/30/33/561573033.db2.gz MNOWQEKPIFLBPH-KBPBESRZSA-N 1 1 371.441 2.372 20 5 FEBDMO Cn1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289616682 552350091 /nfs/dbraw/zinc/35/00/91/552350091.db2.gz WCNOSPAMMFPFQH-LJQANCHMSA-N 1 1 372.425 2.377 20 5 FEBDMO Cn1cc(C[N@H+]2CCO[C@]3(CCCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000289616682 552350093 /nfs/dbraw/zinc/35/00/93/552350093.db2.gz WCNOSPAMMFPFQH-LJQANCHMSA-N 1 1 372.425 2.377 20 5 FEBDMO C[C@@]1(C[C@H]2CCC[N@H+]2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623602 552351497 /nfs/dbraw/zinc/35/14/97/552351497.db2.gz LQFFZDTYDIVCEI-SXJDMRHMSA-N 1 1 358.398 2.061 20 5 FEBDMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cc([N+](=O)[O-])ccc2Cl)NC(=O)NC1=O ZINC000289661897 552358294 /nfs/dbraw/zinc/35/82/94/552358294.db2.gz NFHVIVKOKPAJNK-WBMJQRKESA-N 1 1 366.805 2.201 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000500834299 561584028 /nfs/dbraw/zinc/58/40/28/561584028.db2.gz CFBKHUBHIJKMEJ-UHFFFAOYSA-N 1 1 353.394 2.164 20 5 FEBDMO CC(C)(CNc1nccc(C(N)=O)c1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000290466024 552483353 /nfs/dbraw/zinc/48/33/53/552483353.db2.gz GBLBXWAVKYTANO-UHFFFAOYSA-N 1 1 369.425 2.338 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290780850 552536771 /nfs/dbraw/zinc/53/67/71/552536771.db2.gz MYEFERRWSKNAQP-CQSZACIVSA-N 1 1 369.425 2.190 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000291480753 552628856 /nfs/dbraw/zinc/62/88/56/552628856.db2.gz FYWFABBETHTJKY-GFCCVEGCSA-N 1 1 353.419 2.462 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291891816 552672318 /nfs/dbraw/zinc/67/23/18/552672318.db2.gz QSQOHZXGZOVKAX-LBPRGKRZSA-N 1 1 357.357 2.181 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000292091293 552693045 /nfs/dbraw/zinc/69/30/45/552693045.db2.gz SKJTZUQWDXCCAL-LBPRGKRZSA-N 1 1 371.434 2.229 20 5 FEBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000292093985 552693282 /nfs/dbraw/zinc/69/32/82/552693282.db2.gz STKWJPPQIBNZOK-CYBMUJFWSA-N 1 1 353.444 2.090 20 5 FEBDMO COc1cc(C[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000292168724 552700490 /nfs/dbraw/zinc/70/04/90/552700490.db2.gz LPFCJRRHSHDMTJ-GTNSWQLSSA-N 1 1 361.373 2.490 20 5 FEBDMO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+](C2CCC2)C1 ZINC000292289584 552712680 /nfs/dbraw/zinc/71/26/80/552712680.db2.gz MCIRRRWDOHOVNJ-OAHLLOKOSA-N 1 1 372.469 2.290 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292928813 552771996 /nfs/dbraw/zinc/77/19/96/552771996.db2.gz YSQRKWLLYJFWKN-MRXNPFEDSA-N 1 1 353.444 2.010 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000293486030 552828475 /nfs/dbraw/zinc/82/84/75/552828475.db2.gz RKSRJSMMCWSOBO-UHFFFAOYSA-N 1 1 370.881 2.133 20 5 FEBDMO CN(CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)CC[NH+](C)C ZINC000293486030 552828476 /nfs/dbraw/zinc/82/84/76/552828476.db2.gz RKSRJSMMCWSOBO-UHFFFAOYSA-N 1 1 370.881 2.133 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC[N@H+](C2CCC2)C1 ZINC000293622140 552841246 /nfs/dbraw/zinc/84/12/46/552841246.db2.gz FSUNXXZNVGFRDF-NSHDSACASA-N 1 1 350.394 2.263 20 5 FEBDMO O=C(NCC[N@@H+]1CCCOCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295006197 552950847 /nfs/dbraw/zinc/95/08/47/552950847.db2.gz VFXJGJFRLLGQKH-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO O=C(NCC[N@H+]1CCCOCC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295006197 552950848 /nfs/dbraw/zinc/95/08/48/552950848.db2.gz VFXJGJFRLLGQKH-UHFFFAOYSA-N 1 1 361.320 2.066 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000295045121 552953666 /nfs/dbraw/zinc/95/36/66/552953666.db2.gz FEKHTBPEQOGAKE-CYBMUJFWSA-N 1 1 359.373 2.133 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000295045121 552953667 /nfs/dbraw/zinc/95/36/67/552953667.db2.gz FEKHTBPEQOGAKE-CYBMUJFWSA-N 1 1 359.373 2.133 20 5 FEBDMO C[C@@]1(F)C[NH2+]CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000295171528 552965919 /nfs/dbraw/zinc/96/59/19/552965919.db2.gz GFKPVTFZMGPNMD-CYBMUJFWSA-N 1 1 360.183 2.131 20 5 FEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000295215479 552970545 /nfs/dbraw/zinc/97/05/45/552970545.db2.gz MBTQVNVEOYBIDS-ZDUSSCGKSA-N 1 1 360.183 2.131 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H](C)[NH+]1CCN(C)CC1 ZINC000295551817 553025052 /nfs/dbraw/zinc/02/50/52/553025052.db2.gz PLWOKMGUNZJCHG-CYBMUJFWSA-N 1 1 359.430 2.199 20 5 FEBDMO C[C@H](NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)C1=CC[N@@H+](C)CC1 ZINC000295630542 553036572 /nfs/dbraw/zinc/03/65/72/553036572.db2.gz BGGNILOORNJLHM-LBPRGKRZSA-N 1 1 355.398 2.365 20 5 FEBDMO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000295749863 553054117 /nfs/dbraw/zinc/05/41/17/553054117.db2.gz ZPKXGPBMZPFGIV-OCCSQVGLSA-N 1 1 353.444 2.061 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000296741760 553205449 /nfs/dbraw/zinc/20/54/49/553205449.db2.gz JTDNQRUCUHGATQ-UHFFFAOYSA-N 1 1 354.370 2.201 20 5 FEBDMO Cc1cc(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)cn2cc[nH+]c12 ZINC000502848931 561627636 /nfs/dbraw/zinc/62/76/36/561627636.db2.gz LCCNFEJALYLRBG-UHFFFAOYSA-N 1 1 363.337 2.384 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000299189107 553527488 /nfs/dbraw/zinc/52/74/88/553527488.db2.gz FBCAEIROGFHONQ-RVKKMQEKSA-N 1 1 361.442 2.238 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000299189107 553527489 /nfs/dbraw/zinc/52/74/89/553527489.db2.gz FBCAEIROGFHONQ-RVKKMQEKSA-N 1 1 361.442 2.238 20 5 FEBDMO CNC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000301129533 553624358 /nfs/dbraw/zinc/62/43/58/553624358.db2.gz ZCVAXDZGVCGMHC-UHFFFAOYSA-N 1 1 366.381 2.456 20 5 FEBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000301617529 553666143 /nfs/dbraw/zinc/66/61/43/553666143.db2.gz KMVAKUYMXUDAIE-JSGCOSHPSA-N 1 1 355.398 2.164 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000301866997 553686971 /nfs/dbraw/zinc/68/69/71/553686971.db2.gz GFVGXAYNIKNCMT-ZDUSSCGKSA-N 1 1 355.460 2.388 20 5 FEBDMO CC[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000302204314 553710256 /nfs/dbraw/zinc/71/02/56/553710256.db2.gz CJZRNIGAJYYSTQ-DLBZAZTESA-N 1 1 357.414 2.476 20 5 FEBDMO CC[C@H](Nc1ncc([N+](=O)[O-])cn1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000302204314 553710258 /nfs/dbraw/zinc/71/02/58/553710258.db2.gz CJZRNIGAJYYSTQ-DLBZAZTESA-N 1 1 357.414 2.476 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313355194 553757708 /nfs/dbraw/zinc/75/77/08/553757708.db2.gz RAJVTZBHRXGXSI-MRXNPFEDSA-N 1 1 361.423 2.238 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313350702 553757752 /nfs/dbraw/zinc/75/77/52/553757752.db2.gz WGYLHTHTTOMPKH-OAHLLOKOSA-N 1 1 365.386 2.069 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505785901 561680862 /nfs/dbraw/zinc/68/08/62/561680862.db2.gz WUOZLTQPECVHGY-CHWSQXEVSA-N 1 1 353.394 2.097 20 5 FEBDMO C[NH+](C)C1(CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000506502917 561700259 /nfs/dbraw/zinc/70/02/59/561700259.db2.gz OKPIMYOEKBHDJJ-UHFFFAOYSA-N 1 1 355.394 2.129 20 5 FEBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000330583499 554141693 /nfs/dbraw/zinc/14/16/93/554141693.db2.gz KLUMPXPBFBEXDB-QWRGUYRKSA-N 1 1 370.247 2.451 20 5 FEBDMO C[C@H](C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330946144 554192641 /nfs/dbraw/zinc/19/26/41/554192641.db2.gz GRWWAQZMNBQRKX-ZDUSSCGKSA-N 1 1 367.421 2.407 20 5 FEBDMO C[C@H](C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1F ZINC000330946144 554192643 /nfs/dbraw/zinc/19/26/43/554192643.db2.gz GRWWAQZMNBQRKX-ZDUSSCGKSA-N 1 1 367.421 2.407 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000509070291 561783765 /nfs/dbraw/zinc/78/37/65/561783765.db2.gz RFFULTFGQBUPFL-OAHLLOKOSA-N 1 1 370.457 2.144 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000509663870 561809626 /nfs/dbraw/zinc/80/96/26/561809626.db2.gz FHEMXHSQNLHFFD-QWHCGFSZSA-N 1 1 358.398 2.073 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000332028470 554366226 /nfs/dbraw/zinc/36/62/26/554366226.db2.gz JGJVTEGGZKFQJL-GDBMZVCRSA-N 1 1 360.458 2.289 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000332236779 554407502 /nfs/dbraw/zinc/40/75/02/554407502.db2.gz RXRYEKSLYIQBAB-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO O=C(c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@@H]2C1 ZINC000332569880 554473369 /nfs/dbraw/zinc/47/33/69/554473369.db2.gz CTKVTTIDMUNNHL-LLVKDONJSA-N 1 1 373.331 2.456 20 5 FEBDMO C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CCc1ccccc1[N+](=O)[O-] ZINC000511109372 561857432 /nfs/dbraw/zinc/85/74/32/561857432.db2.gz UFIWUBONEGPBKX-UHFFFAOYSA-N 1 1 370.409 2.197 20 5 FEBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361014342 554900031 /nfs/dbraw/zinc/90/00/31/554900031.db2.gz YROAZMJQZFRBIJ-QEJZJMRPSA-N 1 1 371.397 2.263 20 5 FEBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000361014342 554900033 /nfs/dbraw/zinc/90/00/33/554900033.db2.gz YROAZMJQZFRBIJ-QEJZJMRPSA-N 1 1 371.397 2.263 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257247 555065687 /nfs/dbraw/zinc/06/56/87/555065687.db2.gz VKYCAOMEBNFTOY-FHLIZLRMSA-N 1 1 358.442 2.340 20 5 FEBDMO O=C(CCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000363257247 555065690 /nfs/dbraw/zinc/06/56/90/555065690.db2.gz VKYCAOMEBNFTOY-FHLIZLRMSA-N 1 1 358.442 2.340 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000363590386 555143227 /nfs/dbraw/zinc/14/32/27/555143227.db2.gz TWXZWWZNWPQPBP-UHFFFAOYSA-N 1 1 355.358 2.018 20 5 FEBDMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345259 555295284 /nfs/dbraw/zinc/29/52/84/555295284.db2.gz UYCJBFPHVHGMHM-BRWVUGGUSA-N 1 1 363.458 2.453 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@@H]1c1cccs1 ZINC000364965461 555452309 /nfs/dbraw/zinc/45/23/09/555452309.db2.gz UBDFUXHIWAKBKA-IINYFYTJSA-N 1 1 361.427 2.056 20 5 FEBDMO O=C1[C@@H]([N@@H+]2CC[C@@H](COC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000512816050 561916499 /nfs/dbraw/zinc/91/64/99/561916499.db2.gz FKTAXQRNEAYRRZ-RISCZKNCSA-N 1 1 355.341 2.261 20 5 FEBDMO O=C1[C@@H]([N@H+]2CC[C@@H](COC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000512816050 561916500 /nfs/dbraw/zinc/91/65/00/561916500.db2.gz FKTAXQRNEAYRRZ-RISCZKNCSA-N 1 1 355.341 2.261 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000365028478 555468553 /nfs/dbraw/zinc/46/85/53/555468553.db2.gz CXRIPCRVQOBZEA-ZDUSSCGKSA-N 1 1 350.419 2.132 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000365221781 555514463 /nfs/dbraw/zinc/51/44/63/555514463.db2.gz HRYCYTXTZIRVLG-NEPJUHHUSA-N 1 1 356.382 2.205 20 5 FEBDMO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000365416481 555569227 /nfs/dbraw/zinc/56/92/27/555569227.db2.gz LAUMRQCLDACCKN-GFCCVEGCSA-N 1 1 361.851 2.353 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000365416481 555569230 /nfs/dbraw/zinc/56/92/30/555569230.db2.gz LAUMRQCLDACCKN-GFCCVEGCSA-N 1 1 361.851 2.353 20 5 FEBDMO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000513184229 561928319 /nfs/dbraw/zinc/92/83/19/561928319.db2.gz QFDSXDQSNSTVED-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000513184229 561928320 /nfs/dbraw/zinc/92/83/20/561928320.db2.gz QFDSXDQSNSTVED-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000513478005 561939910 /nfs/dbraw/zinc/93/99/10/561939910.db2.gz ANRVSUBKIVAOQN-GPMSIDNRSA-N 1 1 365.474 2.275 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1F ZINC000365907208 555697734 /nfs/dbraw/zinc/69/77/34/555697734.db2.gz RXGLCFYKUVZABG-LLVKDONJSA-N 1 1 372.360 2.302 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000366637455 555896221 /nfs/dbraw/zinc/89/62/21/555896221.db2.gz QPMZDGOQAILTLE-UHFFFAOYSA-N 1 1 371.397 2.244 20 5 FEBDMO CCNc1ccc(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000514346514 561965803 /nfs/dbraw/zinc/96/58/03/561965803.db2.gz FETJBKMIAQJPHU-QGZVFWFLSA-N 1 1 364.446 2.113 20 5 FEBDMO O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000366908668 555966233 /nfs/dbraw/zinc/96/62/33/555966233.db2.gz DWMGDPCEVNMRIW-HUUCEWRRSA-N 1 1 356.382 2.003 20 5 FEBDMO Nc1nccc([C@H]2CCC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000366990264 555990957 /nfs/dbraw/zinc/99/09/57/555990957.db2.gz SHSBAWACZDMZBR-ZDUSSCGKSA-N 1 1 370.413 2.175 20 5 FEBDMO CC(C)(O)C[N@H+]1CCc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000368256059 556260351 /nfs/dbraw/zinc/26/03/51/556260351.db2.gz KUZUAFOPNOFTLN-UHFFFAOYSA-N 1 1 370.409 2.371 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]21 ZINC000368592274 556356381 /nfs/dbraw/zinc/35/63/81/556356381.db2.gz QATIYLXMLZWSTO-KBXCAEBGSA-N 1 1 358.442 2.361 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368964390 556460935 /nfs/dbraw/zinc/46/09/35/556460935.db2.gz FZEYZTGEUIMMBH-BQPHKTIFSA-N 1 1 371.397 2.292 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368964390 556460936 /nfs/dbraw/zinc/46/09/36/556460936.db2.gz FZEYZTGEUIMMBH-BQPHKTIFSA-N 1 1 371.397 2.292 20 5 FEBDMO CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369006920 556474222 /nfs/dbraw/zinc/47/42/22/556474222.db2.gz FBXIXJNFEVYVNK-NVXWUHKLSA-N 1 1 357.414 2.258 20 5 FEBDMO CN(C)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369006920 556474223 /nfs/dbraw/zinc/47/42/23/556474223.db2.gz FBXIXJNFEVYVNK-NVXWUHKLSA-N 1 1 357.414 2.258 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000369015196 556476721 /nfs/dbraw/zinc/47/67/21/556476721.db2.gz DSGGFHCERYVRAI-HNNXBMFYSA-N 1 1 350.415 2.227 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000369380759 556585332 /nfs/dbraw/zinc/58/53/32/556585332.db2.gz XTZYADQTYBEDNA-PXAZEXFGSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000369380759 556585334 /nfs/dbraw/zinc/58/53/34/556585334.db2.gz XTZYADQTYBEDNA-PXAZEXFGSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000369530843 556622757 /nfs/dbraw/zinc/62/27/57/556622757.db2.gz ILVLYGHTMCLBDY-KURKYZTESA-N 1 1 350.415 2.288 20 5 FEBDMO CC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000369530843 556622759 /nfs/dbraw/zinc/62/27/59/556622759.db2.gz ILVLYGHTMCLBDY-KURKYZTESA-N 1 1 350.415 2.288 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000369573318 556635052 /nfs/dbraw/zinc/63/50/52/556635052.db2.gz KPLTURRCWDJFQX-WBMJQRKESA-N 1 1 363.443 2.052 20 5 FEBDMO CC[N@@H+](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000516352764 562040572 /nfs/dbraw/zinc/04/05/72/562040572.db2.gz DFSXXAJPAZRWNH-UHFFFAOYSA-N 1 1 363.199 2.241 20 5 FEBDMO CCN(C)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000516352764 562040574 /nfs/dbraw/zinc/04/05/74/562040574.db2.gz DFSXXAJPAZRWNH-UHFFFAOYSA-N 1 1 363.199 2.241 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000369994123 556751724 /nfs/dbraw/zinc/75/17/24/556751724.db2.gz GBHPXDPDXQJTOH-AWEZNQCLSA-N 1 1 371.441 2.373 20 5 FEBDMO C[C@@H](NC(=O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1cccs1 ZINC000370062398 556770408 /nfs/dbraw/zinc/77/04/08/556770408.db2.gz YMYUNTKXQYTOJL-GFCCVEGCSA-N 1 1 363.443 2.367 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3C[N@@H+]4CCCC[C@H]4CO3)cc2N1 ZINC000371283668 557130596 /nfs/dbraw/zinc/13/05/96/557130596.db2.gz LKLKSDOUOZPHRD-KBPBESRZSA-N 1 1 360.414 2.145 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@H]3C[N@H+]4CCCC[C@H]4CO3)cc2N1 ZINC000371283668 557130601 /nfs/dbraw/zinc/13/06/01/557130601.db2.gz LKLKSDOUOZPHRD-KBPBESRZSA-N 1 1 360.414 2.145 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](Cc3cccc(Cl)c3)C2)c1 ZINC000371360889 557160531 /nfs/dbraw/zinc/16/05/31/557160531.db2.gz LDWVDLOJZCMZBC-YOEHRIQHSA-N 1 1 364.833 2.370 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000517730602 562096485 /nfs/dbraw/zinc/09/64/85/562096485.db2.gz QUSBOIKOWVRSGM-CABCVRRESA-N 1 1 363.462 2.426 20 5 FEBDMO Cc1csc2nc(C[N@@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)cc(=O)n12 ZINC000372275705 557427975 /nfs/dbraw/zinc/42/79/75/557427975.db2.gz XQQRGCNCEWWIKS-ZDUSSCGKSA-N 1 1 374.426 2.006 20 5 FEBDMO Cc1csc2nc(C[N@H+]3CCC[C@H](n4cc([N+](=O)[O-])cn4)C3)cc(=O)n12 ZINC000372275705 557427980 /nfs/dbraw/zinc/42/79/80/557427980.db2.gz XQQRGCNCEWWIKS-ZDUSSCGKSA-N 1 1 374.426 2.006 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000372558142 557505071 /nfs/dbraw/zinc/50/50/71/557505071.db2.gz RINQHSXJNNTAEV-IFXJQAMLSA-N 1 1 374.441 2.175 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000373114028 557631219 /nfs/dbraw/zinc/63/12/19/557631219.db2.gz XUANOZUHOWGIKI-GFCCVEGCSA-N 1 1 361.398 2.412 20 5 FEBDMO C[C@@H]1C[C@]2(CCO1)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374012518 557807292 /nfs/dbraw/zinc/80/72/92/557807292.db2.gz FGVCINZNAIIMNC-LTCOOKNTSA-N 1 1 350.415 2.287 20 5 FEBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[C@H](C)O2 ZINC000374012518 557807293 /nfs/dbraw/zinc/80/72/93/557807293.db2.gz FGVCINZNAIIMNC-LTCOOKNTSA-N 1 1 350.415 2.287 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000374022342 557809525 /nfs/dbraw/zinc/80/95/25/557809525.db2.gz PFPMWINCOIEFKX-MBNYWOFBSA-N 1 1 353.444 2.370 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000374022342 557809527 /nfs/dbraw/zinc/80/95/27/557809527.db2.gz PFPMWINCOIEFKX-MBNYWOFBSA-N 1 1 353.444 2.370 20 5 FEBDMO O=C(C[N@H+]1CC[C@@H](C2CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374339710 557868150 /nfs/dbraw/zinc/86/81/50/557868150.db2.gz IAMBWVGLPPHKQN-MRXNPFEDSA-N 1 1 359.426 2.232 20 5 FEBDMO O=C1[C@H]([N@H+]2CC[C@@H](C3CCOCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000374366431 557872709 /nfs/dbraw/zinc/87/27/09/557872709.db2.gz NUBWWCLGPASVNM-CRAIPNDOSA-N 1 1 359.426 2.449 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000374416294 557880935 /nfs/dbraw/zinc/88/09/35/557880935.db2.gz QSAXQWFEGOEYFM-INIZCTEOSA-N 1 1 374.328 2.429 20 5 FEBDMO CN(C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000521079880 562169177 /nfs/dbraw/zinc/16/91/77/562169177.db2.gz ABQOOSQBHAHTNN-INIZCTEOSA-N 1 1 355.398 2.089 20 5 FEBDMO CN(C)c1noc([C@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000374529040 557895275 /nfs/dbraw/zinc/89/52/75/557895275.db2.gz HGXIKJVECSKHSJ-ZDUSSCGKSA-N 1 1 361.402 2.302 20 5 FEBDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598585 557904801 /nfs/dbraw/zinc/90/48/01/557904801.db2.gz XUAAWFFYIUYUDQ-XCRHUMRWSA-N 1 1 360.414 2.244 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000376111131 558128250 /nfs/dbraw/zinc/12/82/50/558128250.db2.gz IGHYSMKTATZHTJ-OZAJXLCCSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@@](=O)CC[C@H]1C ZINC000376111131 558128252 /nfs/dbraw/zinc/12/82/52/558128252.db2.gz IGHYSMKTATZHTJ-OZAJXLCCSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[S@](=O)CC[C@H]1C ZINC000376111474 558128462 /nfs/dbraw/zinc/12/84/62/558128462.db2.gz IGHYSMKTATZHTJ-YEBMWUKDSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[S@](=O)CC[C@H]1C ZINC000376111474 558128463 /nfs/dbraw/zinc/12/84/63/558128463.db2.gz IGHYSMKTATZHTJ-YEBMWUKDSA-N 1 1 353.444 2.075 20 5 FEBDMO CC(=O)c1cc(N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376187486 558138527 /nfs/dbraw/zinc/13/85/27/558138527.db2.gz KKMIWWYPMGUXOV-MRXNPFEDSA-N 1 1 360.458 2.261 20 5 FEBDMO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000376817492 558225394 /nfs/dbraw/zinc/22/53/94/558225394.db2.gz CIBQJZVWFHBEFY-CQSZACIVSA-N 1 1 353.854 2.248 20 5 FEBDMO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376817492 558225396 /nfs/dbraw/zinc/22/53/96/558225396.db2.gz CIBQJZVWFHBEFY-CQSZACIVSA-N 1 1 353.854 2.248 20 5 FEBDMO CN(C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000522037501 562189975 /nfs/dbraw/zinc/18/99/75/562189975.db2.gz LPADJTIGIPDMJQ-HNNXBMFYSA-N 1 1 355.398 2.089 20 5 FEBDMO Cc1cnn([C@H]2CC[N@@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000377764457 558415038 /nfs/dbraw/zinc/41/50/38/558415038.db2.gz ROKPYOBNOYNHCZ-IRXDYDNUSA-N 1 1 355.398 2.152 20 5 FEBDMO Cc1cnn([C@H]2CC[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C2)c1 ZINC000377764457 558415039 /nfs/dbraw/zinc/41/50/39/558415039.db2.gz ROKPYOBNOYNHCZ-IRXDYDNUSA-N 1 1 355.398 2.152 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000377988938 558458703 /nfs/dbraw/zinc/45/87/03/558458703.db2.gz GOCOVVRGVQZZFP-ZDUSSCGKSA-N 1 1 360.370 2.276 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1(C)C ZINC000377988938 558458705 /nfs/dbraw/zinc/45/87/05/558458705.db2.gz GOCOVVRGVQZZFP-ZDUSSCGKSA-N 1 1 360.370 2.276 20 5 FEBDMO COc1ccc(C[N@@H+](C)C2CCN(c3cccnn3)CC2)cc1[N+](=O)[O-] ZINC000378111230 558483805 /nfs/dbraw/zinc/48/38/05/558483805.db2.gz MRIQSJAYEFGGOD-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000378318641 558528578 /nfs/dbraw/zinc/52/85/78/558528578.db2.gz XPQMALVRPIYQMM-IEBWSBKVSA-N 1 1 357.410 2.345 20 5 FEBDMO CCOc1cc(C(=O)NCC[N@@H+](CC)C2CC2)c([N+](=O)[O-])cc1OC ZINC000523898208 562221199 /nfs/dbraw/zinc/22/11/99/562221199.db2.gz WVQBWPMLJOZHMQ-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000408002367 558636872 /nfs/dbraw/zinc/63/68/72/558636872.db2.gz LXOXXAZLJUHRBL-SECBINFHSA-N 1 1 356.220 2.442 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000408002367 558636874 /nfs/dbraw/zinc/63/68/74/558636874.db2.gz LXOXXAZLJUHRBL-SECBINFHSA-N 1 1 356.220 2.442 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1C ZINC000408061669 558642420 /nfs/dbraw/zinc/64/24/20/558642420.db2.gz LJAQDDOLCCSSBW-CABCVRRESA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000408063827 558642768 /nfs/dbraw/zinc/64/27/68/558642768.db2.gz XCXVKLSFGRVBCR-UONOGXRCSA-N 1 1 373.862 2.462 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408067953 558643247 /nfs/dbraw/zinc/64/32/47/558643247.db2.gz GAOYLTUNQVPSRS-LSDHHAIUSA-N 1 1 360.458 2.362 20 5 FEBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182443 558654818 /nfs/dbraw/zinc/65/48/18/558654818.db2.gz KRVWHBQBBWHGCU-RHSMWYFYSA-N 1 1 358.442 2.043 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(F)c(C)c([N+](=O)[O-])c1 ZINC000408316031 558666141 /nfs/dbraw/zinc/66/61/41/558666141.db2.gz NFEZEXZYUHASJN-OLZOCXBDSA-N 1 1 371.434 2.290 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000411258879 558862227 /nfs/dbraw/zinc/86/22/27/558862227.db2.gz MQFNDEDNVWRZHN-HNNXBMFYSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000411258879 558862228 /nfs/dbraw/zinc/86/22/28/558862228.db2.gz MQFNDEDNVWRZHN-HNNXBMFYSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000411258879 558862231 /nfs/dbraw/zinc/86/22/31/558862231.db2.gz MQFNDEDNVWRZHN-HNNXBMFYSA-N 1 1 362.430 2.101 20 5 FEBDMO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411578457 558921298 /nfs/dbraw/zinc/92/12/98/558921298.db2.gz BVVAYZQPJOGCDB-CQSZACIVSA-N 1 1 362.430 2.093 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000411578457 558921300 /nfs/dbraw/zinc/92/13/00/558921300.db2.gz BVVAYZQPJOGCDB-CQSZACIVSA-N 1 1 362.430 2.093 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000411589941 558924600 /nfs/dbraw/zinc/92/46/00/558924600.db2.gz IRQZYKVDHFVDGE-UHFFFAOYSA-N 1 1 362.430 2.141 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000411721311 558950335 /nfs/dbraw/zinc/95/03/35/558950335.db2.gz OJTOTXIGEOGSDL-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000411721311 558950337 /nfs/dbraw/zinc/95/03/37/558950337.db2.gz OJTOTXIGEOGSDL-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000411721311 558950340 /nfs/dbraw/zinc/95/03/40/558950340.db2.gz OJTOTXIGEOGSDL-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000411978219 558998614 /nfs/dbraw/zinc/99/86/14/558998614.db2.gz AMMTVFWQOOYMJW-OAHLLOKOSA-N 1 1 368.437 2.400 20 5 FEBDMO Cc1nnc([C@@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412036672 559004768 /nfs/dbraw/zinc/00/47/68/559004768.db2.gz HGJNIOQJFVIIFF-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412036672 559004769 /nfs/dbraw/zinc/00/47/69/559004769.db2.gz HGJNIOQJFVIIFF-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412036672 559004770 /nfs/dbraw/zinc/00/47/70/559004770.db2.gz HGJNIOQJFVIIFF-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000412036672 559004771 /nfs/dbraw/zinc/00/47/71/559004771.db2.gz HGJNIOQJFVIIFF-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000412036672 559004772 /nfs/dbraw/zinc/00/47/72/559004772.db2.gz HGJNIOQJFVIIFF-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO CC(C)[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412063605 559008845 /nfs/dbraw/zinc/00/88/45/559008845.db2.gz BTKNRTCSQGQZRI-GFCCVEGCSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000412063605 559008847 /nfs/dbraw/zinc/00/88/47/559008847.db2.gz BTKNRTCSQGQZRI-GFCCVEGCSA-N 1 1 368.821 2.176 20 5 FEBDMO CC(C)[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCC(=O)N1 ZINC000412069994 559009508 /nfs/dbraw/zinc/00/95/08/559009508.db2.gz GZMXKFWKSWCMER-CYBMUJFWSA-N 1 1 359.386 2.134 20 5 FEBDMO CC(C)[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C[C@H]1CCC(=O)N1 ZINC000412069994 559009509 /nfs/dbraw/zinc/00/95/09/559009509.db2.gz GZMXKFWKSWCMER-CYBMUJFWSA-N 1 1 359.386 2.134 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1F ZINC000412108062 559014503 /nfs/dbraw/zinc/01/45/03/559014503.db2.gz HCMXVIWNVLDQMU-GFCCVEGCSA-N 1 1 353.394 2.085 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000412145556 559016776 /nfs/dbraw/zinc/01/67/76/559016776.db2.gz CYZHJRXHWZQKEB-CYBMUJFWSA-N 1 1 367.421 2.475 20 5 FEBDMO C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1ncc([N+](=O)[O-])cc1F ZINC000413154602 559083641 /nfs/dbraw/zinc/08/36/41/559083641.db2.gz KKDYGEDDFIKUKD-ZDUSSCGKSA-N 1 1 360.393 2.147 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1F ZINC000413630162 559121475 /nfs/dbraw/zinc/12/14/75/559121475.db2.gz KIRGPNWCEHBMDH-OCCSQVGLSA-N 1 1 365.405 2.228 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c1F ZINC000413861761 559135654 /nfs/dbraw/zinc/13/56/54/559135654.db2.gz OJXBTAFWCURSBX-OAHLLOKOSA-N 1 1 373.384 2.458 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000416559858 559321802 /nfs/dbraw/zinc/32/18/02/559321802.db2.gz KTSUWKFPWADAFW-CYBMUJFWSA-N 1 1 355.460 2.167 20 5 FEBDMO C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000418237207 559395038 /nfs/dbraw/zinc/39/50/38/559395038.db2.gz VUPAGDXTXDJSHC-SUMWQHHRSA-N 1 1 355.398 2.407 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000419344843 559438726 /nfs/dbraw/zinc/43/87/26/559438726.db2.gz SGYKOKUZPWGMPD-UONOGXRCSA-N 1 1 360.414 2.137 20 5 FEBDMO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420479085 559489670 /nfs/dbraw/zinc/48/96/70/559489670.db2.gz ZEVOSKOWVVCTKQ-XVKPBYJWSA-N 1 1 368.242 2.320 20 5 FEBDMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1 ZINC000421373275 559540418 /nfs/dbraw/zinc/54/04/18/559540418.db2.gz DVAWZMPBBXKYMT-GFCCVEGCSA-N 1 1 359.382 2.431 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000421715990 559550584 /nfs/dbraw/zinc/55/05/84/559550584.db2.gz ZKRZZIRABYJDPR-ZDUSSCGKSA-N 1 1 370.247 2.452 20 5 FEBDMO O=[N+]([O-])c1cc(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(C(F)(F)F)c1 ZINC000423081618 559618081 /nfs/dbraw/zinc/61/80/81/559618081.db2.gz DJMZHQFRFMHSML-LSDHHAIUSA-N 1 1 359.348 2.470 20 5 FEBDMO [NH3+]C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCN(Cc2ccccc2)CC1 ZINC000424040430 559652273 /nfs/dbraw/zinc/65/22/73/559652273.db2.gz QLZHXWNCTYRSKM-UHFFFAOYSA-N 1 1 368.437 2.318 20 5 FEBDMO CC[C@]1(CO)CCC[N@@H+](CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000426465770 559735022 /nfs/dbraw/zinc/73/50/22/559735022.db2.gz BYDVGRIHDNFVSK-SFHVURJKSA-N 1 1 363.414 2.377 20 5 FEBDMO C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(N)=O ZINC000428838907 559784544 /nfs/dbraw/zinc/78/45/44/559784544.db2.gz IHLKMSALIMXCOD-PIGZYNQJSA-N 1 1 353.382 2.218 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@@H+](CCc2ccccn2)Cc2cccnc2)n1 ZINC000430341363 559818199 /nfs/dbraw/zinc/81/81/99/559818199.db2.gz VFNYDRCMJUBKJC-UHFFFAOYSA-N 1 1 352.398 2.326 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000439159334 559989286 /nfs/dbraw/zinc/98/92/86/559989286.db2.gz XGFXWPZFHZRGDS-BFYDXBDKSA-N 1 1 350.415 2.083 20 5 FEBDMO O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000440511744 560013223 /nfs/dbraw/zinc/01/32/23/560013223.db2.gz ZMOQIUCDPHMVJO-IBGZPJMESA-N 1 1 373.384 2.101 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000442109466 560044227 /nfs/dbraw/zinc/04/42/27/560044227.db2.gz IOOCZSWKMQCUGI-HZSPNIEDSA-N 1 1 355.460 2.240 20 5 FEBDMO C[C@@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000443712544 560090931 /nfs/dbraw/zinc/09/09/31/560090931.db2.gz WNYAADWRRLHNCC-KGLIPLIRSA-N 1 1 355.460 2.277 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444620993 560116875 /nfs/dbraw/zinc/11/68/75/560116875.db2.gz ARGRVOLBHRUCEC-INIZCTEOSA-N 1 1 372.473 2.073 20 5 FEBDMO O=[N+]([O-])c1ccc(NCC[N@H+]2CCCOCC2)nc1OCc1ccccc1 ZINC000445669448 560133786 /nfs/dbraw/zinc/13/37/86/560133786.db2.gz CAESEGRROVKWCH-UHFFFAOYSA-N 1 1 372.425 2.703 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000447660514 560166243 /nfs/dbraw/zinc/16/62/43/560166243.db2.gz SGKKVGIXOFCKLU-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000447660514 560166244 /nfs/dbraw/zinc/16/62/44/560166244.db2.gz SGKKVGIXOFCKLU-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC000448826237 560201043 /nfs/dbraw/zinc/20/10/43/560201043.db2.gz ZCDKDUHKKQLZDR-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448958667 560208947 /nfs/dbraw/zinc/20/89/47/560208947.db2.gz ZPFDMFPLEWRHEO-OAHLLOKOSA-N 1 1 357.414 2.385 20 5 FEBDMO CCO[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449492289 560231736 /nfs/dbraw/zinc/23/17/36/560231736.db2.gz BRCFATAJAAWSPI-CJNGLKHVSA-N 1 1 366.414 2.394 20 5 FEBDMO COC(=O)COc1ccc(CNCC[N@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000449784069 560240086 /nfs/dbraw/zinc/24/00/86/560240086.db2.gz UWGRFKRFZURBQP-UHFFFAOYSA-N 1 1 365.430 2.111 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+]CCN2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000449784069 560240087 /nfs/dbraw/zinc/24/00/87/560240087.db2.gz UWGRFKRFZURBQP-UHFFFAOYSA-N 1 1 365.430 2.111 20 5 FEBDMO CC[C@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000450310180 560258032 /nfs/dbraw/zinc/25/80/32/560258032.db2.gz CPUTZIRHNOLZLG-KGLIPLIRSA-N 1 1 374.441 2.433 20 5 FEBDMO COC(=O)C[N@@H+]1CCC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450542682 560265579 /nfs/dbraw/zinc/26/55/79/560265579.db2.gz WGFBQUJZONSYPT-ZDUSSCGKSA-N 1 1 358.398 2.440 20 5 FEBDMO COC(=O)C[N@H+]1CCC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450542682 560265580 /nfs/dbraw/zinc/26/55/80/560265580.db2.gz WGFBQUJZONSYPT-ZDUSSCGKSA-N 1 1 358.398 2.440 20 5 FEBDMO C[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@H+](C2CC2)C1 ZINC000451096389 560286896 /nfs/dbraw/zinc/28/68/96/560286896.db2.gz XCQAHMKTLUOXEE-CQSZACIVSA-N 1 1 374.441 2.309 20 5 FEBDMO C[C@H]1CN(C2CC2)CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000451096389 560286897 /nfs/dbraw/zinc/28/68/97/560286897.db2.gz XCQAHMKTLUOXEE-CQSZACIVSA-N 1 1 374.441 2.309 20 5 FEBDMO C[C@H]1CN(C2CC2)CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000451096389 560286898 /nfs/dbraw/zinc/28/68/98/560286898.db2.gz XCQAHMKTLUOXEE-CQSZACIVSA-N 1 1 374.441 2.309 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000451306171 560299147 /nfs/dbraw/zinc/29/91/47/560299147.db2.gz RNUPDQJICSCBKN-NJZAAPMLSA-N 1 1 354.378 2.104 20 5 FEBDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547199 560313891 /nfs/dbraw/zinc/31/38/91/560313891.db2.gz KNYDNKNTIDNVNQ-HFTRVMKXSA-N 1 1 361.442 2.458 20 5 FEBDMO C[C@H](C(=O)NC[C@@H]1CCCO1)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547199 560313892 /nfs/dbraw/zinc/31/38/92/560313892.db2.gz KNYDNKNTIDNVNQ-HFTRVMKXSA-N 1 1 361.442 2.458 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451560108 560314777 /nfs/dbraw/zinc/31/47/77/560314777.db2.gz HVENEAWWTMUBRK-WBMJQRKESA-N 1 1 351.403 2.289 20 5 FEBDMO CO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451854765 560332580 /nfs/dbraw/zinc/33/25/80/560332580.db2.gz RHTVJCYGURUUHB-IAGOWNOFSA-N 1 1 359.426 2.373 20 5 FEBDMO CO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C12CCC2 ZINC000451854765 560332581 /nfs/dbraw/zinc/33/25/81/560332581.db2.gz RHTVJCYGURUUHB-IAGOWNOFSA-N 1 1 359.426 2.373 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909562 560336568 /nfs/dbraw/zinc/33/65/68/560336568.db2.gz XGUVRGXMFPNDLD-FZKQIMNGSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CCOC3)C2)c([N+](=O)[O-])c1 ZINC000451909562 560336569 /nfs/dbraw/zinc/33/65/69/560336569.db2.gz XGUVRGXMFPNDLD-FZKQIMNGSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000452098229 560351195 /nfs/dbraw/zinc/35/11/95/560351195.db2.gz ALWALNYUSWUCDT-AWEZNQCLSA-N 1 1 355.460 2.315 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452376529 560361496 /nfs/dbraw/zinc/36/14/96/560361496.db2.gz LDYIHBTXCLKUAQ-CQSZACIVSA-N 1 1 367.471 2.283 20 5 FEBDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000452725931 560372335 /nfs/dbraw/zinc/37/23/35/560372335.db2.gz FITXMGUKWAWGOZ-UHFFFAOYSA-N 1 1 371.441 2.352 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000453046135 560382338 /nfs/dbraw/zinc/38/23/38/560382338.db2.gz XLVCYLHBRQBHDS-SJORKVTESA-N 1 1 350.440 2.489 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000453046135 560382339 /nfs/dbraw/zinc/38/23/39/560382339.db2.gz XLVCYLHBRQBHDS-SJORKVTESA-N 1 1 350.440 2.489 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000453045688 560382375 /nfs/dbraw/zinc/38/23/75/560382375.db2.gz ZIOFGMPYGPAZFV-COPLHBTASA-N 1 1 353.806 2.178 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000453952309 560416077 /nfs/dbraw/zinc/41/60/77/560416077.db2.gz AZKMZSFPSCDBET-AWEZNQCLSA-N 1 1 362.430 2.038 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000453952309 560416078 /nfs/dbraw/zinc/41/60/78/560416078.db2.gz AZKMZSFPSCDBET-AWEZNQCLSA-N 1 1 362.430 2.038 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000458166699 560606400 /nfs/dbraw/zinc/60/64/00/560606400.db2.gz LZUOXMISFNFDQE-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000461356535 560767954 /nfs/dbraw/zinc/76/79/54/560767954.db2.gz YYCNLMBVNGHVSB-INIZCTEOSA-N 1 1 362.430 2.373 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000462089695 560796547 /nfs/dbraw/zinc/79/65/47/560796547.db2.gz HVOVNAHESLZDKM-UHFFFAOYSA-N 1 1 350.419 2.006 20 5 FEBDMO CC[C@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCCO1 ZINC000467565342 560912708 /nfs/dbraw/zinc/91/27/08/560912708.db2.gz UKJBHULZVQZBMT-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO CC[C@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCCO1 ZINC000467565342 560912709 /nfs/dbraw/zinc/91/27/09/560912709.db2.gz UKJBHULZVQZBMT-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO Cn1c(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000469871291 560967560 /nfs/dbraw/zinc/96/75/60/560967560.db2.gz MIZJJOXBFMNTHV-HNNXBMFYSA-N 1 1 374.466 2.281 20 5 FEBDMO Cn1c(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000469871291 560967561 /nfs/dbraw/zinc/96/75/61/560967561.db2.gz MIZJJOXBFMNTHV-HNNXBMFYSA-N 1 1 374.466 2.281 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000470151570 560975494 /nfs/dbraw/zinc/97/54/94/560975494.db2.gz JDJMFDBWHFQCPP-HNNXBMFYSA-N 1 1 354.382 2.212 20 5 FEBDMO COC(=O)c1cn([C@@H]2CC[N@@H+](C/C(C)=C/c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208207 560976791 /nfs/dbraw/zinc/97/67/91/560976791.db2.gz GOTDCSGSXBEQNL-WDBUWWRISA-N 1 1 371.397 2.323 20 5 FEBDMO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471568401 561007484 /nfs/dbraw/zinc/00/74/84/561007484.db2.gz ZDQYFQGPRMJHCG-AEFFLSMTSA-N 1 1 372.425 2.332 20 5 FEBDMO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471568401 561007485 /nfs/dbraw/zinc/00/74/85/561007485.db2.gz ZDQYFQGPRMJHCG-AEFFLSMTSA-N 1 1 372.425 2.332 20 5 FEBDMO COC(=O)COc1ccc(CN2CCC[N@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000475582752 561100243 /nfs/dbraw/zinc/10/02/43/561100243.db2.gz TYPHFTVLMAVGHQ-UHFFFAOYSA-N 1 1 365.430 2.063 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000476646535 561125197 /nfs/dbraw/zinc/12/51/97/561125197.db2.gz GKGDDTZNRVVYSU-SWLSCSKDSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000476646535 561125198 /nfs/dbraw/zinc/12/51/98/561125198.db2.gz GKGDDTZNRVVYSU-SWLSCSKDSA-N 1 1 363.805 2.157 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000476659856 561125438 /nfs/dbraw/zinc/12/54/38/561125438.db2.gz JHGCMLUYVLKMSI-INIZCTEOSA-N 1 1 371.441 2.455 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000476659856 561125439 /nfs/dbraw/zinc/12/54/39/561125439.db2.gz JHGCMLUYVLKMSI-INIZCTEOSA-N 1 1 371.441 2.455 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCN(CCC(=O)N(C)C)CC1 ZINC000531714935 562454594 /nfs/dbraw/zinc/45/45/94/562454594.db2.gz AHAOBOIVOAXJSW-HNNXBMFYSA-N 1 1 362.474 2.497 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1CCC(OCCO)CC1 ZINC000533795794 562518171 /nfs/dbraw/zinc/51/81/71/562518171.db2.gz DHCQTMFFJBSCOC-GFCCVEGCSA-N 1 1 362.386 2.179 20 5 FEBDMO Cc1cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C)c[nH+]1 ZINC000534299936 562530498 /nfs/dbraw/zinc/53/04/98/562530498.db2.gz LXVQRIMEGNRTQP-UHFFFAOYSA-N 1 1 370.365 2.355 20 5 FEBDMO CN(CC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000535278400 562555012 /nfs/dbraw/zinc/55/50/12/562555012.db2.gz WNTSJLHBAXAGPJ-MRXNPFEDSA-N 1 1 354.410 2.334 20 5 FEBDMO CN(CC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000535278400 562555013 /nfs/dbraw/zinc/55/50/13/562555013.db2.gz WNTSJLHBAXAGPJ-MRXNPFEDSA-N 1 1 354.410 2.334 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)cn1 ZINC000535785905 562568017 /nfs/dbraw/zinc/56/80/17/562568017.db2.gz PHUJQZPRXDETCJ-UHFFFAOYSA-N 1 1 365.397 2.097 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNC(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000568340978 568026412 /nfs/dbraw/zinc/02/64/12/568026412.db2.gz ZUYZVPQLMQGPHO-HNNXBMFYSA-N 1 1 359.430 2.402 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000570049865 568443580 /nfs/dbraw/zinc/44/35/80/568443580.db2.gz BLTDKIPFPREDLA-AWEZNQCLSA-N 1 1 357.476 2.177 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000609489415 568490738 /nfs/dbraw/zinc/49/07/38/568490738.db2.gz KGGZEQKIQKUJPO-HNNXBMFYSA-N 1 1 357.414 2.385 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736556068 599123915 /nfs/dbraw/zinc/12/39/15/599123915.db2.gz UVEANNXVTSXOEI-LBPRGKRZSA-N 1 1 356.390 2.055 20 5 FEBDMO CC[N@H+]1C[C@H](C)[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240101 606730799 /nfs/dbraw/zinc/73/07/99/606730799.db2.gz DXRVEBSVUJVGMY-ZUZCIYMTSA-N 1 1 368.401 2.075 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000101572035 670768989 /nfs/dbraw/zinc/76/89/89/670768989.db2.gz SXQKGPQANDSVQK-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1 ZINC000104755392 670796052 /nfs/dbraw/zinc/79/60/52/670796052.db2.gz KMZHWOFXZXMXPU-UHFFFAOYSA-N 1 1 361.851 2.401 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000571092673 670815110 /nfs/dbraw/zinc/81/51/10/670815110.db2.gz SJYUZHATVLSKCD-GFCCVEGCSA-N 1 1 359.448 2.002 20 5 FEBDMO Cc1c(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000115436918 670896988 /nfs/dbraw/zinc/89/69/88/670896988.db2.gz HQPFCGCWPHBFJA-GFCCVEGCSA-N 1 1 350.375 2.225 20 5 FEBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])c(N3CCOCC3)c2F)CC[N@H+]1C ZINC000572014623 670951643 /nfs/dbraw/zinc/95/16/43/670951643.db2.gz CVXYXIRIYZXYJY-QWHCGFSZSA-N 1 1 352.410 2.465 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817677850 675160548 /nfs/dbraw/zinc/16/05/48/675160548.db2.gz HXMUAKSRFPDNAF-NSHDSACASA-N 1 1 368.821 2.373 20 5 FEBDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108205 675181504 /nfs/dbraw/zinc/18/15/04/675181504.db2.gz DMJYTVOHVHHFOC-INMHGKMJSA-N 1 1 351.447 2.045 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108205 675181506 /nfs/dbraw/zinc/18/15/06/675181506.db2.gz DMJYTVOHVHHFOC-INMHGKMJSA-N 1 1 351.447 2.045 20 5 FEBDMO CCCC[N@H+]1CCCC[C@H]1CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000609560945 675926277 /nfs/dbraw/zinc/92/62/77/675926277.db2.gz BGMXOWFDALMDTJ-ZDUSSCGKSA-N 1 1 370.475 2.309 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000124579214 671999577 /nfs/dbraw/zinc/99/95/77/671999577.db2.gz KPGSCBRVLNQXLU-QWRGUYRKSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000124579214 671999579 /nfs/dbraw/zinc/99/95/79/671999579.db2.gz KPGSCBRVLNQXLU-QWRGUYRKSA-N 1 1 373.862 2.460 20 5 FEBDMO CN(CCOC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000124981199 672004583 /nfs/dbraw/zinc/00/45/83/672004583.db2.gz OZMOWRTUSSPEIY-OAHLLOKOSA-N 1 1 353.444 2.012 20 5 FEBDMO CN(CCOC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000124981199 672004585 /nfs/dbraw/zinc/00/45/85/672004585.db2.gz OZMOWRTUSSPEIY-OAHLLOKOSA-N 1 1 353.444 2.012 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000134653452 672125434 /nfs/dbraw/zinc/12/54/34/672125434.db2.gz LIXZVSXMCVDYTL-STQMWFEESA-N 1 1 353.423 2.169 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000153799712 672205042 /nfs/dbraw/zinc/20/50/42/672205042.db2.gz XEBWVAUHYSHOML-OAHLLOKOSA-N 1 1 350.375 2.224 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000153799712 672205046 /nfs/dbraw/zinc/20/50/46/672205046.db2.gz XEBWVAUHYSHOML-OAHLLOKOSA-N 1 1 350.375 2.224 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000610769507 675995509 /nfs/dbraw/zinc/99/55/09/675995509.db2.gz CYNMUYGYPQOMON-LBPRGKRZSA-N 1 1 371.235 2.053 20 5 FEBDMO C[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000176243488 672374776 /nfs/dbraw/zinc/37/47/76/672374776.db2.gz ZULTZCKHHIOKKF-BETUJISGSA-N 1 1 353.423 2.121 20 5 FEBDMO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000176243488 672374778 /nfs/dbraw/zinc/37/47/78/672374778.db2.gz ZULTZCKHHIOKKF-BETUJISGSA-N 1 1 353.423 2.121 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000590045991 672555950 /nfs/dbraw/zinc/55/59/50/672555950.db2.gz ZJDCEWQOQCNUPU-ZANVPECISA-N 1 1 354.204 2.133 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000590447667 672583303 /nfs/dbraw/zinc/58/33/03/672583303.db2.gz ZCRQIEAYFWQJBQ-TVQRCGJNSA-N 1 1 354.204 2.133 20 5 FEBDMO CSC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132247 672762302 /nfs/dbraw/zinc/76/23/02/672762302.db2.gz DRYOJWLNKDHDMA-JYJNAYRXSA-N 1 1 354.472 2.424 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000592383904 672795787 /nfs/dbraw/zinc/79/57/87/672795787.db2.gz RPRHQILXIJCDCD-GFCCVEGCSA-N 1 1 366.443 2.277 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])[C@@H](C)CO1 ZINC000593061668 672869945 /nfs/dbraw/zinc/86/99/45/672869945.db2.gz KYBDYGLEZPBEPE-STQMWFEESA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593529477 672934832 /nfs/dbraw/zinc/93/48/32/672934832.db2.gz BRWXRNFMHXJOOY-OKILXGFUSA-N 1 1 370.475 2.026 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000593534729 672936215 /nfs/dbraw/zinc/93/62/15/672936215.db2.gz RJWZHERYLZHWSD-VNHYZAJKSA-N 1 1 368.459 2.016 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594027711 673022224 /nfs/dbraw/zinc/02/22/24/673022224.db2.gz YPWOIYUAUNUGIT-YJBOKZPZSA-N 1 1 350.415 2.368 20 5 FEBDMO CCOC(=O)CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594052769 673026002 /nfs/dbraw/zinc/02/60/02/673026002.db2.gz LCEYUYBJTBQENN-UHFFFAOYSA-N 1 1 351.403 2.221 20 5 FEBDMO O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594483752 673088065 /nfs/dbraw/zinc/08/80/65/673088065.db2.gz PEBSZJHJPCASEI-CVEARBPZSA-N 1 1 353.444 2.031 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594775636 673138284 /nfs/dbraw/zinc/13/82/84/673138284.db2.gz FADLHSVMKNWOCR-GFCCVEGCSA-N 1 1 366.443 2.150 20 5 FEBDMO C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CS1(=O)=O ZINC000594976594 673182031 /nfs/dbraw/zinc/18/20/31/673182031.db2.gz PPEHSZUQOATLCE-MWLCHTKSSA-N 1 1 364.370 2.252 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595606587 673273029 /nfs/dbraw/zinc/27/30/29/673273029.db2.gz ISPCZLOLUBGTPV-LLVKDONJSA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595606587 673273031 /nfs/dbraw/zinc/27/30/31/673273031.db2.gz ISPCZLOLUBGTPV-LLVKDONJSA-N 1 1 366.219 2.471 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000595670775 673281511 /nfs/dbraw/zinc/28/15/11/673281511.db2.gz CRSUCAOHABCOEZ-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000595670775 673281513 /nfs/dbraw/zinc/28/15/13/673281513.db2.gz CRSUCAOHABCOEZ-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695925 673283576 /nfs/dbraw/zinc/28/35/76/673283576.db2.gz JGGQKRFLLPEWOI-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000595695925 673283578 /nfs/dbraw/zinc/28/35/78/673283578.db2.gz JGGQKRFLLPEWOI-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1COC2(CCCC2)C[N@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595815278 673327455 /nfs/dbraw/zinc/32/74/55/673327455.db2.gz NQMPUXLVODJJIN-CABCVRRESA-N 1 1 350.415 2.368 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000732223589 673359392 /nfs/dbraw/zinc/35/93/92/673359392.db2.gz IOSBTXGKIVFGEF-LBPRGKRZSA-N 1 1 361.851 2.401 20 5 FEBDMO COCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2Cl)C1 ZINC000596122007 673361094 /nfs/dbraw/zinc/36/10/94/673361094.db2.gz NXGBTXZEZHKEKD-SNVBAGLBSA-N 1 1 357.794 2.167 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)cc1OC(F)F ZINC000596248562 673371522 /nfs/dbraw/zinc/37/15/22/673371522.db2.gz YWMZTIVCNGFZPG-CYBMUJFWSA-N 1 1 357.357 2.497 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596433986 673384931 /nfs/dbraw/zinc/38/49/31/673384931.db2.gz VYDYBJNLBPPMCW-STQMWFEESA-N 1 1 351.403 2.293 20 5 FEBDMO CCOC(=O)c1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596433986 673384936 /nfs/dbraw/zinc/38/49/36/673384936.db2.gz VYDYBJNLBPPMCW-STQMWFEESA-N 1 1 351.403 2.293 20 5 FEBDMO NS(=O)(=O)c1c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000596477890 673388558 /nfs/dbraw/zinc/38/85/58/673388558.db2.gz LKFXEGMZFKWNRS-GFCCVEGCSA-N 1 1 368.459 2.061 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596489293 673389330 /nfs/dbraw/zinc/38/93/30/673389330.db2.gz TTWGMDFRUIFDJN-ZDUSSCGKSA-N 1 1 368.821 2.311 20 5 FEBDMO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OCCC[NH+]1CCOCC1 ZINC000735893228 673506467 /nfs/dbraw/zinc/50/64/67/673506467.db2.gz AJMXYOJGLLMWCZ-GFCCVEGCSA-N 1 1 372.805 2.281 20 5 FEBDMO COC(=O)c1ccnc(N(C)CC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000598587570 673586758 /nfs/dbraw/zinc/58/67/58/673586758.db2.gz BZNRFYUWVDKOSL-UHFFFAOYSA-N 1 1 350.419 2.477 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000598621445 673591651 /nfs/dbraw/zinc/59/16/51/673591651.db2.gz WKXPIKZEJMUJEO-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000543673256 673660672 /nfs/dbraw/zinc/66/06/72/673660672.db2.gz MLWCEKATLYFQAF-GXTWGEPZSA-N 1 1 355.460 2.172 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000742139110 673708351 /nfs/dbraw/zinc/70/83/51/673708351.db2.gz TWVYBEIWDLLXPC-ZDUSSCGKSA-N 1 1 353.394 2.446 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744423280 673795762 /nfs/dbraw/zinc/79/57/62/673795762.db2.gz CCZIQKXRSAINAR-GFCCVEGCSA-N 1 1 354.838 2.460 20 5 FEBDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000745090483 673825542 /nfs/dbraw/zinc/82/55/42/673825542.db2.gz UTYXZQSJFQADLF-OAHLLOKOSA-N 1 1 350.371 2.379 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000745090483 673825544 /nfs/dbraw/zinc/82/55/44/673825544.db2.gz UTYXZQSJFQADLF-OAHLLOKOSA-N 1 1 350.371 2.379 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])s1 ZINC000601374104 673850845 /nfs/dbraw/zinc/85/08/45/673850845.db2.gz ALDZRYBPFOUKAD-NWDGAFQWSA-N 1 1 359.473 2.070 20 5 FEBDMO C[NH+](C)C1(CS(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601382545 673852549 /nfs/dbraw/zinc/85/25/49/673852549.db2.gz BPIMKCDFLBGYQV-AWEZNQCLSA-N 1 1 371.484 2.066 20 5 FEBDMO O=[N+]([O-])c1sc(C[N@@H+](CCO)C2CCOCC2)cc1Br ZINC000602628061 673908717 /nfs/dbraw/zinc/90/87/17/673908717.db2.gz HAYNTHBYDZRDOF-UHFFFAOYSA-N 1 1 365.249 2.392 20 5 FEBDMO O=[N+]([O-])c1sc(C[N@H+](CCO)C2CCOCC2)cc1Br ZINC000602628061 673908719 /nfs/dbraw/zinc/90/87/19/673908719.db2.gz HAYNTHBYDZRDOF-UHFFFAOYSA-N 1 1 365.249 2.392 20 5 FEBDMO COC(=O)[C@H](CC(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602615078 673908689 /nfs/dbraw/zinc/90/86/89/673908689.db2.gz GQWGDBDEBUUQIW-HNNXBMFYSA-N 1 1 350.419 2.136 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000614934189 676197509 /nfs/dbraw/zinc/19/75/09/676197509.db2.gz BPLKXGLVNOVFDK-UHFFFAOYSA-N 1 1 350.419 2.132 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000614934189 676197510 /nfs/dbraw/zinc/19/75/10/676197510.db2.gz BPLKXGLVNOVFDK-UHFFFAOYSA-N 1 1 350.419 2.132 20 5 FEBDMO CCN(C[C@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1)CC(F)(F)F ZINC000602775847 673910937 /nfs/dbraw/zinc/91/09/37/673910937.db2.gz CBVNQOWWAZEHMW-CYBMUJFWSA-N 1 1 363.384 2.306 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000822426291 675483794 /nfs/dbraw/zinc/48/37/94/675483794.db2.gz ARYUXBBWVVEGOF-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)C1 ZINC000825600647 675660649 /nfs/dbraw/zinc/66/06/49/675660649.db2.gz NSKHGOLEXMFEAL-GFCCVEGCSA-N 1 1 352.410 2.260 20 5 FEBDMO C[NH+]1CCN(C2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3)CC2)CC1 ZINC000827456387 675757334 /nfs/dbraw/zinc/75/73/34/675757334.db2.gz KBTMOZHLPUEBSX-UHFFFAOYSA-N 1 1 366.849 2.100 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)C[C@@H]1C ZINC000827674793 675772109 /nfs/dbraw/zinc/77/21/09/675772109.db2.gz MJSANPJPDHAVFH-JTQLQIEISA-N 1 1 368.821 2.373 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)C[C@@H]1C ZINC000827674793 675772110 /nfs/dbraw/zinc/77/21/10/675772110.db2.gz MJSANPJPDHAVFH-JTQLQIEISA-N 1 1 368.821 2.373 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000603640511 675800472 /nfs/dbraw/zinc/80/04/72/675800472.db2.gz SJQWTFCGUUNRHB-OLZOCXBDSA-N 1 1 371.459 2.145 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000839634606 680768068 /nfs/dbraw/zinc/76/80/68/680768068.db2.gz BTLBLPAFQJECTR-NSHDSACASA-N 1 1 356.220 2.267 20 5 FEBDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000839634606 680768070 /nfs/dbraw/zinc/76/80/70/680768070.db2.gz BTLBLPAFQJECTR-NSHDSACASA-N 1 1 356.220 2.267 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000832871382 680183529 /nfs/dbraw/zinc/18/35/29/680183529.db2.gz ZGUZBNXKBUGXKO-JTQLQIEISA-N 1 1 354.382 2.151 20 5 FEBDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000752071839 680221905 /nfs/dbraw/zinc/22/19/05/680221905.db2.gz ZDJUJBLGONDEAY-OLZOCXBDSA-N 1 1 353.423 2.026 20 5 FEBDMO COc1ccc(Cl)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000996439881 680332543 /nfs/dbraw/zinc/33/25/43/680332543.db2.gz HSNVUAXFWKXJEI-HUUCEWRRSA-N 1 1 367.833 2.094 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000997771666 680365666 /nfs/dbraw/zinc/36/56/66/680365666.db2.gz JISVOAXCLNMTNR-CZUORRHYSA-N 1 1 369.824 2.473 20 5 FEBDMO CCCc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000997773267 680365721 /nfs/dbraw/zinc/36/57/21/680365721.db2.gz VQZZVALZLDHLDZ-HUUCEWRRSA-N 1 1 366.487 2.089 20 5 FEBDMO [NH3+]CC(F)(F)CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841160291 680866718 /nfs/dbraw/zinc/86/67/18/680866718.db2.gz BTXHHSTVTWYTJR-UHFFFAOYSA-N 1 1 353.123 2.073 20 5 FEBDMO COCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000768545194 680950017 /nfs/dbraw/zinc/95/00/17/680950017.db2.gz ZSECCNNFPURUCD-UHFFFAOYSA-N 1 1 355.822 2.223 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000768864442 680962206 /nfs/dbraw/zinc/96/22/06/680962206.db2.gz RAHIECVLMXVRBV-SMDDNHRTSA-N 1 1 371.484 2.294 20 5 FEBDMO NC(=O)C[C@@H]1CCC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769524416 680985960 /nfs/dbraw/zinc/98/59/60/680985960.db2.gz MQTSRSUWYFUVTO-JTQLQIEISA-N 1 1 356.220 2.445 20 5 FEBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000769524416 680985961 /nfs/dbraw/zinc/98/59/61/680985961.db2.gz MQTSRSUWYFUVTO-JTQLQIEISA-N 1 1 356.220 2.445 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770009781 681002874 /nfs/dbraw/zinc/00/28/74/681002874.db2.gz NTBDWUCUVVALIF-UHFFFAOYSA-N 1 1 356.810 2.434 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000844020961 681031311 /nfs/dbraw/zinc/03/13/11/681031311.db2.gz MBOBGQZZKDNSKM-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000844020961 681031313 /nfs/dbraw/zinc/03/13/13/681031313.db2.gz MBOBGQZZKDNSKM-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933738908 681460632 /nfs/dbraw/zinc/46/06/32/681460632.db2.gz PEYMUOJKFKJRGX-NVGCLXPQSA-N 1 1 366.849 2.459 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933973556 681490433 /nfs/dbraw/zinc/49/04/33/681490433.db2.gz MGNRLXZFJXTRMR-AWEZNQCLSA-N 1 1 350.448 2.013 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](CCCCCO)CC2)c1 ZINC000913690147 685482182 /nfs/dbraw/zinc/48/21/82/685482182.db2.gz UNUHDSPMGGKUJG-UHFFFAOYSA-N 1 1 367.471 2.237 20 5 FEBDMO Cc1c(C(=O)NCC[N@@H+]2CCC[C@H]2C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000783921468 682187162 /nfs/dbraw/zinc/18/71/62/682187162.db2.gz SFPRPHVINAKAMV-SNVBAGLBSA-N 1 1 350.375 2.334 20 5 FEBDMO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)Nc1ccc(Cl)nc1 ZINC000851994657 682199351 /nfs/dbraw/zinc/19/93/51/682199351.db2.gz VHFAGPBLYIKHBD-UHFFFAOYSA-N 1 1 364.793 2.115 20 5 FEBDMO COCC(COC)[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853689080 682456500 /nfs/dbraw/zinc/45/65/00/682456500.db2.gz LOAMSKJSUPNTES-UHFFFAOYSA-N 1 1 359.373 2.316 20 5 FEBDMO CC(C)[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[NH+](C)C ZINC000787961913 682493842 /nfs/dbraw/zinc/49/38/42/682493842.db2.gz NCJGOHODCYKCIK-CQSZACIVSA-N 1 1 357.794 2.316 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000855160145 682633983 /nfs/dbraw/zinc/63/39/83/682633983.db2.gz OJHMZEVUSCQKFI-NSHDSACASA-N 1 1 350.375 2.353 20 5 FEBDMO CCN(C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F)[C@H]1CC[N@@H+](CC)C1 ZINC000855490927 682676075 /nfs/dbraw/zinc/67/60/75/682676075.db2.gz MFQVBVNQQSITIY-LBPRGKRZSA-N 1 1 352.410 2.356 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000796303165 683151033 /nfs/dbraw/zinc/15/10/33/683151033.db2.gz HLKVMZSEHSMHHX-AWEZNQCLSA-N 1 1 362.304 2.401 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000919848132 683303186 /nfs/dbraw/zinc/30/31/86/683303186.db2.gz TUFZHMOQWSNRRJ-NWDGAFQWSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000919848132 683303188 /nfs/dbraw/zinc/30/31/88/683303188.db2.gz TUFZHMOQWSNRRJ-NWDGAFQWSA-N 1 1 373.862 2.414 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000920597784 683354421 /nfs/dbraw/zinc/35/44/21/683354421.db2.gz AMVDPTMFDAKZAM-ZBFHGGJFSA-N 1 1 364.471 2.016 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)c1F ZINC000928077516 683370507 /nfs/dbraw/zinc/37/05/07/683370507.db2.gz CFDBPCKQXZJWCQ-JQWIXIFHSA-N 1 1 371.409 2.491 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)c1F ZINC000928077516 683370509 /nfs/dbraw/zinc/37/05/09/683370509.db2.gz CFDBPCKQXZJWCQ-JQWIXIFHSA-N 1 1 371.409 2.491 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928100792 683391747 /nfs/dbraw/zinc/39/17/47/683391747.db2.gz ZPHPTTFULYVRAV-GOEBONIOSA-N 1 1 364.471 2.093 20 5 FEBDMO COc1cc(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@H+]2C)c([N+](=O)[O-])cc1F ZINC000861350999 683395737 /nfs/dbraw/zinc/39/57/37/683395737.db2.gz BCXCGOFIRHFFMO-HWPZZCPQSA-N 1 1 356.350 2.009 20 5 FEBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCCS3(=O)=O)CC2)cc1 ZINC000929748909 683635390 /nfs/dbraw/zinc/63/53/90/683635390.db2.gz LHXKFXBKZMCJPZ-MRXNPFEDSA-N 1 1 354.428 2.015 20 5 FEBDMO NC(=O)C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929770260 683637249 /nfs/dbraw/zinc/63/72/49/683637249.db2.gz DMBWCLVARSQAFR-JTQLQIEISA-N 1 1 356.220 2.445 20 5 FEBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000929770260 683637251 /nfs/dbraw/zinc/63/72/51/683637251.db2.gz DMBWCLVARSQAFR-JTQLQIEISA-N 1 1 356.220 2.445 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000864961753 683914588 /nfs/dbraw/zinc/91/45/88/683914588.db2.gz DVSPHNRJIQIWIC-LBPRGKRZSA-N 1 1 370.247 2.358 20 5 FEBDMO C[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])CN1CCN(C)CC1 ZINC000866260838 684086791 /nfs/dbraw/zinc/08/67/91/684086791.db2.gz YBZVVBIZSOGPDW-CABCVRRESA-N 1 1 352.454 2.138 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000866863666 684170208 /nfs/dbraw/zinc/17/02/08/684170208.db2.gz RWQRKONUMXBTIT-GXTWGEPZSA-N 1 1 373.450 2.393 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000866985658 684191404 /nfs/dbraw/zinc/19/14/04/684191404.db2.gz KBRRPOSEHZSREH-JSGCOSHPSA-N 1 1 371.434 2.147 20 5 FEBDMO CC1(C)C[N@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000931414495 684279610 /nfs/dbraw/zinc/27/96/10/684279610.db2.gz CJRRFIOJQXGBNM-UHFFFAOYSA-N 1 1 369.849 2.408 20 5 FEBDMO CC1(C)C[N@@H+](CCNC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CCO1 ZINC000931414495 684279614 /nfs/dbraw/zinc/27/96/14/684279614.db2.gz CJRRFIOJQXGBNM-UHFFFAOYSA-N 1 1 369.849 2.408 20 5 FEBDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000923896551 684363189 /nfs/dbraw/zinc/36/31/89/684363189.db2.gz XFRICMFARWFGTN-HNNXBMFYSA-N 1 1 350.371 2.377 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000923896551 684363197 /nfs/dbraw/zinc/36/31/97/684363197.db2.gz XFRICMFARWFGTN-HNNXBMFYSA-N 1 1 350.371 2.377 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925137597 684527174 /nfs/dbraw/zinc/52/71/74/684527174.db2.gz DCWCZSKQCUGCSN-TZMCWYRMSA-N 1 1 366.443 2.305 20 5 FEBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000872666098 685001058 /nfs/dbraw/zinc/00/10/58/685001058.db2.gz SDIWDSMRWRBMFR-RYUDHWBXSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000872666098 685001062 /nfs/dbraw/zinc/00/10/62/685001062.db2.gz SDIWDSMRWRBMFR-RYUDHWBXSA-N 1 1 359.835 2.105 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000874829714 685677560 /nfs/dbraw/zinc/67/75/60/685677560.db2.gz NANJODXHBXUFSF-KBPBESRZSA-N 1 1 350.394 2.109 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875128562 685738280 /nfs/dbraw/zinc/73/82/80/685738280.db2.gz OWYRJXFXHGDGOQ-UHFFFAOYSA-N 1 1 350.419 2.229 20 5 FEBDMO COCCO[C@@H]1C[C@@H](CO)C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877481812 686387588 /nfs/dbraw/zinc/38/75/88/686387588.db2.gz SXRAFDXKZMTDTP-HZPDHXFCSA-N 1 1 352.431 2.057 20 5 FEBDMO Cn1cc(C[N@H+](C)C[C@H](O)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000877587484 686416721 /nfs/dbraw/zinc/41/67/21/686416721.db2.gz DDWBYROCQTXBSO-ZDUSSCGKSA-N 1 1 369.219 2.256 20 5 FEBDMO Cn1cc(C[N@@H+](C)C[C@H](O)c2cccc(Br)c2)c([N+](=O)[O-])n1 ZINC000877587484 686416724 /nfs/dbraw/zinc/41/67/24/686416724.db2.gz DDWBYROCQTXBSO-ZDUSSCGKSA-N 1 1 369.219 2.256 20 5 FEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCS(=O)(=O)C1CC1 ZINC000877591234 686417263 /nfs/dbraw/zinc/41/72/63/686417263.db2.gz POVNSJBVNPIASR-UHFFFAOYSA-N 1 1 352.334 2.280 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[S@](=O)CC(F)(F)F)nc2c1 ZINC000877623154 686424330 /nfs/dbraw/zinc/42/43/30/686424330.db2.gz YENVBTBAWYFDCN-QHCPKHFHSA-N 1 1 351.306 2.137 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@H]2C1 ZINC000878640327 686625956 /nfs/dbraw/zinc/62/59/56/686625956.db2.gz HNAWTDCZYBDONJ-YGRLFVJLSA-N 1 1 363.805 2.434 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879047248 686725358 /nfs/dbraw/zinc/72/53/58/686725358.db2.gz GUAMZMNHUIQJNH-MRXNPFEDSA-N 1 1 353.394 2.417 20 5 FEBDMO COc1c(O)ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1[N+](=O)[O-] ZINC000893647139 689380774 /nfs/dbraw/zinc/38/07/74/689380774.db2.gz SCWQTRKVBOWLHY-UHFFFAOYSA-N 1 1 352.387 2.081 20 5 FEBDMO COc1c(O)ccc(C[N@H+]2CCOC3(CCOCC3)CC2)c1[N+](=O)[O-] ZINC000893647139 689380779 /nfs/dbraw/zinc/38/07/79/689380779.db2.gz SCWQTRKVBOWLHY-UHFFFAOYSA-N 1 1 352.387 2.081 20 5 FEBDMO C[C@H](Nc1c(Br)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246451 689683386 /nfs/dbraw/zinc/68/33/86/689683386.db2.gz BTCJVGMKIWQYAF-GWCFXTLKSA-N 1 1 357.252 2.404 20 5 FEBDMO COC(=O)[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000895705790 689757700 /nfs/dbraw/zinc/75/77/00/689757700.db2.gz BPNXAQCUTGWLGW-QGZVFWFLSA-N 1 1 362.407 2.433 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)c(Br)c1 ZINC000896521582 689884655 /nfs/dbraw/zinc/88/46/55/689884655.db2.gz JYMQELXITYDBOH-NSHDSACASA-N 1 1 371.235 2.418 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+]2C2CCOCC2)c(Br)c1 ZINC000896521582 689884660 /nfs/dbraw/zinc/88/46/60/689884660.db2.gz JYMQELXITYDBOH-NSHDSACASA-N 1 1 371.235 2.418 20 5 FEBDMO CN(c1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1)S(C)(=O)=O ZINC000898286770 690154948 /nfs/dbraw/zinc/15/49/48/690154948.db2.gz LVVGCZPEVJHSFK-UHFFFAOYSA-N 1 1 355.441 2.342 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000900598938 690537099 /nfs/dbraw/zinc/53/70/99/690537099.db2.gz ARFIBDCYZKVGMY-GXTWGEPZSA-N 1 1 371.796 2.059 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@@H+]1CC(C)(C)O ZINC000907602508 691525180 /nfs/dbraw/zinc/52/51/80/691525180.db2.gz FBZUYPIDVBFSTF-JTQLQIEISA-N 1 1 373.812 2.305 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc(Cl)c(F)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000907602508 691525182 /nfs/dbraw/zinc/52/51/82/691525182.db2.gz FBZUYPIDVBFSTF-JTQLQIEISA-N 1 1 373.812 2.305 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000910295116 691912790 /nfs/dbraw/zinc/91/27/90/691912790.db2.gz VBXONQGDBYGFET-LBPRGKRZSA-N 1 1 351.403 2.168 20 5 FEBDMO Cc1ncc([N+](=O)[O-])c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164647350 719310404 /nfs/dbraw/zinc/31/04/04/719310404.db2.gz AMLMURRKBOIMTM-UHFFFAOYSA-N 1 1 359.434 2.095 20 5 FEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164794236 721527149 /nfs/dbraw/zinc/52/71/49/721527149.db2.gz ADMRXHNTHGNLRD-ZHALLVOQSA-N 1 1 369.425 2.253 20 5 FEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)[C@@H]2CCCO[C@@H]12 ZINC001164794236 721527151 /nfs/dbraw/zinc/52/71/51/721527151.db2.gz ADMRXHNTHGNLRD-ZHALLVOQSA-N 1 1 369.425 2.253 20 5 FEBDMO Cc1ncc([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164911993 721529732 /nfs/dbraw/zinc/52/97/32/721529732.db2.gz XYRUOKZXGBTCGO-ZBFHGGJFSA-N 1 1 373.388 2.174 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)nc1Cl ZINC001164928547 721858209 /nfs/dbraw/zinc/85/82/09/721858209.db2.gz OEYCUIHQQQOYRW-QWHCGFSZSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc1Cl ZINC001164928547 721858211 /nfs/dbraw/zinc/85/82/11/721858211.db2.gz OEYCUIHQQQOYRW-QWHCGFSZSA-N 1 1 353.854 2.166 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932683 721861033 /nfs/dbraw/zinc/86/10/33/721861033.db2.gz ZLEPRCGLUVIEIM-HOTGVXAUSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001164932683 721861034 /nfs/dbraw/zinc/86/10/34/721861034.db2.gz ZLEPRCGLUVIEIM-HOTGVXAUSA-N 1 1 355.442 2.358 20 5 FEBDMO COc1ccccc1[C@@H](CNC(=O)COc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000023077626 539704945 /nfs/dbraw/zinc/70/49/45/539704945.db2.gz MFROMGULISOUJT-QGZVFWFLSA-N 1 1 373.409 2.401 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+](C)CC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000026262698 539782498 /nfs/dbraw/zinc/78/24/98/539782498.db2.gz DKBOLTXEFLJMJW-UHFFFAOYSA-N 1 1 350.419 2.078 20 5 FEBDMO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@H+]1CCc2sccc2C1 ZINC000032427990 539938328 /nfs/dbraw/zinc/93/83/28/539938328.db2.gz FJTMUGOUZBFBLI-LLVKDONJSA-N 1 1 360.439 2.415 20 5 FEBDMO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)[N@@H+]1CCc2sccc2C1 ZINC000032427990 539938323 /nfs/dbraw/zinc/93/83/23/539938323.db2.gz FJTMUGOUZBFBLI-LLVKDONJSA-N 1 1 360.439 2.415 20 5 FEBDMO Cc1nn(CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c(C)c1[N+](=O)[O-] ZINC000032841854 539956213 /nfs/dbraw/zinc/95/62/13/539956213.db2.gz SCKRQPCXWONTDX-UHFFFAOYSA-N 1 1 371.441 2.061 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000043151404 540092374 /nfs/dbraw/zinc/09/23/74/540092374.db2.gz BONBORQCEHJQKC-OAHLLOKOSA-N 1 1 350.419 2.382 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000045744912 540225047 /nfs/dbraw/zinc/22/50/47/540225047.db2.gz ZUFZWABVJZRHAF-STQMWFEESA-N 1 1 355.460 2.302 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000046996836 540283644 /nfs/dbraw/zinc/28/36/44/540283644.db2.gz NSDWNZOHWQGDKJ-UONOGXRCSA-N 1 1 363.414 2.359 20 5 FEBDMO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C)C1 ZINC000047213296 540297213 /nfs/dbraw/zinc/29/72/13/540297213.db2.gz ZHPORMUHSNDKGG-KGLIPLIRSA-N 1 1 372.429 2.026 20 5 FEBDMO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000051735961 540442229 /nfs/dbraw/zinc/44/22/29/540442229.db2.gz AEJFSSHNWOPUEN-CYBMUJFWSA-N 1 1 363.439 2.478 20 5 FEBDMO O=C(Nc1cnccn1)C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000054250829 540577936 /nfs/dbraw/zinc/57/79/36/540577936.db2.gz AILOTHJZXYMHDK-UHFFFAOYSA-N 1 1 359.361 2.375 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000056140880 540706060 /nfs/dbraw/zinc/70/60/60/540706060.db2.gz VBASSSZXHSYMTG-AGUYFDCRSA-N 1 1 353.444 2.054 20 5 FEBDMO CC(C)[C@H](CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000056385444 540722543 /nfs/dbraw/zinc/72/25/43/540722543.db2.gz SXYBJRRKLVQUHG-PBHICJAKSA-N 1 1 364.446 2.312 20 5 FEBDMO C[N@@H+](CCCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C1CCCCC1 ZINC000058666364 540852371 /nfs/dbraw/zinc/85/23/71/540852371.db2.gz BPRIGDBOZHJKJF-UHFFFAOYSA-N 1 1 370.475 2.309 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000060548700 541116730 /nfs/dbraw/zinc/11/67/30/541116730.db2.gz QTSWTNQQXCCIKT-KRWDZBQOSA-N 1 1 368.393 2.297 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000060548700 541116732 /nfs/dbraw/zinc/11/67/32/541116732.db2.gz QTSWTNQQXCCIKT-KRWDZBQOSA-N 1 1 368.393 2.297 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000063852772 541188916 /nfs/dbraw/zinc/18/89/16/541188916.db2.gz CYKLBNOEJKZXIQ-GFCCVEGCSA-N 1 1 351.403 2.074 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000064311585 541201003 /nfs/dbraw/zinc/20/10/03/541201003.db2.gz LBJFXEBFWLIIOA-OKILXGFUSA-N 1 1 351.451 2.054 20 5 FEBDMO CC(C)[N@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350414 541202039 /nfs/dbraw/zinc/20/20/39/541202039.db2.gz CKIIBMQJTVFQJB-UHFFFAOYSA-N 1 1 350.419 2.430 20 5 FEBDMO CC(C)[N@@H+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350414 541202044 /nfs/dbraw/zinc/20/20/44/541202044.db2.gz CKIIBMQJTVFQJB-UHFFFAOYSA-N 1 1 350.419 2.430 20 5 FEBDMO CN(CC[N@@H+](C)C1CCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000065971492 541275175 /nfs/dbraw/zinc/27/51/75/541275175.db2.gz AOSNDXWVRUATDA-UHFFFAOYSA-N 1 1 355.460 2.480 20 5 FEBDMO CC(C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066921715 541393952 /nfs/dbraw/zinc/39/39/52/541393952.db2.gz PSYHEERWZHSDIE-DAYGRLMNSA-N 1 1 363.458 2.387 20 5 FEBDMO CC(C)[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066921715 541393957 /nfs/dbraw/zinc/39/39/57/541393957.db2.gz PSYHEERWZHSDIE-DAYGRLMNSA-N 1 1 363.458 2.387 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067133874 541422066 /nfs/dbraw/zinc/42/20/66/541422066.db2.gz NMVSTSYRXQMMRI-AWEZNQCLSA-N 1 1 372.429 2.170 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000067380269 541452866 /nfs/dbraw/zinc/45/28/66/541452866.db2.gz CJAKSVOLKFZURM-UHFFFAOYSA-N 1 1 370.409 2.090 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)C[C@H](C)O1 ZINC000068179768 541558539 /nfs/dbraw/zinc/55/85/39/541558539.db2.gz XVQUPZQRIRUGCD-GASCZTMLSA-N 1 1 374.441 2.165 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000069382848 541681577 /nfs/dbraw/zinc/68/15/77/541681577.db2.gz WFIUDXSWYFLFCK-HNNXBMFYSA-N 1 1 362.386 2.169 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069440083 541687341 /nfs/dbraw/zinc/68/73/41/541687341.db2.gz KEQOGBVAJAOZAR-AWEZNQCLSA-N 1 1 350.419 2.005 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000070951296 541754434 /nfs/dbraw/zinc/75/44/34/541754434.db2.gz ZYZNMRBNWYGDCU-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CCO)c([N+](=O)[O-])c1 ZINC000070951296 541754436 /nfs/dbraw/zinc/75/44/36/541754436.db2.gz ZYZNMRBNWYGDCU-ZDUSSCGKSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1ccc(S(=O)(=O)NCCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000071826306 541773603 /nfs/dbraw/zinc/77/36/03/541773603.db2.gz UHVKHJWXRQPIGE-ZDUSSCGKSA-N 1 1 371.459 2.146 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000074772695 542120043 /nfs/dbraw/zinc/12/00/43/542120043.db2.gz PHQROJPXJVTRFQ-AWEZNQCLSA-N 1 1 367.471 2.166 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000075641219 542194985 /nfs/dbraw/zinc/19/49/85/542194985.db2.gz AFNILJCURUDGKD-MRXNPFEDSA-N 1 1 350.806 2.470 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000076329620 542261585 /nfs/dbraw/zinc/26/15/85/542261585.db2.gz MSHQCCATYRTXNN-UHFFFAOYSA-N 1 1 363.462 2.393 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000076329620 542261591 /nfs/dbraw/zinc/26/15/91/542261591.db2.gz MSHQCCATYRTXNN-UHFFFAOYSA-N 1 1 363.462 2.393 20 5 FEBDMO Cc1c(C(=O)N2CCC[C@H](CN3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000077450228 542383580 /nfs/dbraw/zinc/38/35/80/542383580.db2.gz GSHUTCWQQKMIMH-MRXNPFEDSA-N 1 1 360.458 2.003 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000078455661 542462119 /nfs/dbraw/zinc/46/21/19/542462119.db2.gz MNSUVGMBJUKAAY-ZDUSSCGKSA-N 1 1 355.460 2.309 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CCC[N@H+]1CCc1ccccc1 ZINC000079721222 542538415 /nfs/dbraw/zinc/53/84/15/542538415.db2.gz RXQKBYCXOGQEKR-QGZVFWFLSA-N 1 1 371.441 2.005 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000080653845 542600116 /nfs/dbraw/zinc/60/01/16/542600116.db2.gz QBGIAMOIQMMDQC-ZDUSSCGKSA-N 1 1 353.394 2.291 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCOCC1CC1 ZINC000088600493 542754884 /nfs/dbraw/zinc/75/48/84/542754884.db2.gz PHZYGYOTZFOUBG-GFCCVEGCSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCOCC1CC1 ZINC000088600493 542754886 /nfs/dbraw/zinc/75/48/86/542754886.db2.gz PHZYGYOTZFOUBG-GFCCVEGCSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCOCC1CC1 ZINC000088600731 542755003 /nfs/dbraw/zinc/75/50/03/542755003.db2.gz HXDQMHRDGKAOIG-UHFFFAOYSA-N 1 1 351.403 2.290 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000089581044 542764513 /nfs/dbraw/zinc/76/45/13/542764513.db2.gz BQAIAINRVYLVCO-MNEFBYGVSA-N 1 1 363.458 2.453 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089933475 542776203 /nfs/dbraw/zinc/77/62/03/542776203.db2.gz OWRFIORPSWXMFN-AVGNSLFASA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089933475 542776207 /nfs/dbraw/zinc/77/62/07/542776207.db2.gz OWRFIORPSWXMFN-AVGNSLFASA-N 1 1 351.403 2.023 20 5 FEBDMO Cc1[nH+]ccn1-c1cncc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000092890987 542893729 /nfs/dbraw/zinc/89/37/29/542893729.db2.gz OINIRDDPAJILGO-UHFFFAOYSA-N 1 1 365.397 2.206 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)C1 ZINC000093003722 542901605 /nfs/dbraw/zinc/90/16/05/542901605.db2.gz LMPUSUOJQDWCCK-GFCCVEGCSA-N 1 1 359.423 2.005 20 5 FEBDMO COCCOC[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000093754128 542939605 /nfs/dbraw/zinc/93/96/05/542939605.db2.gz ZEPYYQVRGHQTFX-HNNXBMFYSA-N 1 1 374.441 2.480 20 5 FEBDMO C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCCN1c1cccnn1 ZINC000106086125 543193059 /nfs/dbraw/zinc/19/30/59/543193059.db2.gz JURANBVKTGJCKV-HNNXBMFYSA-N 1 1 357.414 2.364 20 5 FEBDMO Cn1cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108306060 543285718 /nfs/dbraw/zinc/28/57/18/543285718.db2.gz FVDFJCPBDBLDFD-HNNXBMFYSA-N 1 1 369.425 2.209 20 5 FEBDMO O=C(C[NH+]1CCC(n2cccn2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000109007087 543310634 /nfs/dbraw/zinc/31/06/34/543310634.db2.gz GDVIOSBNLGROJP-UHFFFAOYSA-N 1 1 355.398 2.018 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000113306199 543483997 /nfs/dbraw/zinc/48/39/97/543483997.db2.gz BFWXHMQXSJPWCF-CMPLNLGQSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000115585876 543576216 /nfs/dbraw/zinc/57/62/16/543576216.db2.gz VKQRQUJFNNAXEZ-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO CC1CCC(NC(=O)C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000118866718 543661211 /nfs/dbraw/zinc/66/12/11/543661211.db2.gz VNXAIZYKXLYSBL-NRXISQOPSA-N 1 1 361.446 2.171 20 5 FEBDMO CC1CCC(NC(=O)C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000118866718 543661212 /nfs/dbraw/zinc/66/12/12/543661212.db2.gz VNXAIZYKXLYSBL-NRXISQOPSA-N 1 1 361.446 2.171 20 5 FEBDMO COc1cc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000122869082 543728718 /nfs/dbraw/zinc/72/87/18/543728718.db2.gz KJLSRYHFMVEZOK-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000127908875 544020828 /nfs/dbraw/zinc/02/08/28/544020828.db2.gz YVYRJYBDCZXAJZ-CABCVRRESA-N 1 1 367.833 2.160 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000127908875 544020833 /nfs/dbraw/zinc/02/08/33/544020833.db2.gz YVYRJYBDCZXAJZ-CABCVRRESA-N 1 1 367.833 2.160 20 5 FEBDMO CCC[N@H+]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000128287360 544044228 /nfs/dbraw/zinc/04/42/28/544044228.db2.gz BNMNIMACJDXMEN-UHFFFAOYSA-N 1 1 361.851 2.355 20 5 FEBDMO CCC[C@@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000128499828 544056083 /nfs/dbraw/zinc/05/60/83/544056083.db2.gz HWJSGNWKROSNEA-GOSISDBHSA-N 1 1 363.458 2.487 20 5 FEBDMO Cc1nn(C)c(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000128525566 544057346 /nfs/dbraw/zinc/05/73/46/544057346.db2.gz MCOZWWFNSLEMQC-TXEJJXNPSA-N 1 1 351.451 2.123 20 5 FEBDMO CC(C)C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000105591305 222370494 /nfs/dbraw/zinc/37/04/94/222370494.db2.gz DSDUGCKTRPIHNU-GFCCVEGCSA-N 1 1 353.448 2.463 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000132273109 544225059 /nfs/dbraw/zinc/22/50/59/544225059.db2.gz URUODEQLOLFBLO-DOTOQJQBSA-N 1 1 371.441 2.303 20 5 FEBDMO Nc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000133850290 544285899 /nfs/dbraw/zinc/28/58/99/544285899.db2.gz LJXLLOPJESZYCY-CVEARBPZSA-N 1 1 368.441 2.458 20 5 FEBDMO C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247516491 549348519 /nfs/dbraw/zinc/34/85/19/549348519.db2.gz ZMAWSPILFPVGSO-LXTVHRRPSA-N 1 1 361.446 2.264 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000152485755 544660221 /nfs/dbraw/zinc/66/02/21/544660221.db2.gz YVBFESVDUFUCMZ-UHFFFAOYSA-N 1 1 355.460 2.279 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000152938858 544714388 /nfs/dbraw/zinc/71/43/88/544714388.db2.gz IZMIMAWVNWPPTL-QWHCGFSZSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000153294715 544756737 /nfs/dbraw/zinc/75/67/37/544756737.db2.gz DAPQQWSLORXHGD-OLZOCXBDSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc([C@H](C)[NH2+]CCCN2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000153153779 544739895 /nfs/dbraw/zinc/73/98/95/544739895.db2.gz NRKJWDGYRMOLSV-AWEZNQCLSA-N 1 1 351.447 2.491 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@H](Oc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000154109722 544864874 /nfs/dbraw/zinc/86/48/74/544864874.db2.gz SFKKLLADTGCDIY-ZWKOTPCHSA-N 1 1 368.393 2.248 20 5 FEBDMO O=C1[C@H]([N@H+]2CC[C@H](Oc3ccncc3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000154109722 544864879 /nfs/dbraw/zinc/86/48/79/544864879.db2.gz SFKKLLADTGCDIY-ZWKOTPCHSA-N 1 1 368.393 2.248 20 5 FEBDMO Cc1c(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000154427019 544905491 /nfs/dbraw/zinc/90/54/91/544905491.db2.gz SQHYHTSVNWVIJA-AWEZNQCLSA-N 1 1 362.430 2.175 20 5 FEBDMO CC(C)C(=O)N1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000155079216 544986629 /nfs/dbraw/zinc/98/66/29/544986629.db2.gz IAOKUWCZJGQESC-UHFFFAOYSA-N 1 1 362.430 2.114 20 5 FEBDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000553547768 674269884 /nfs/dbraw/zinc/26/98/84/674269884.db2.gz LHCQQXXJURZTKN-AWEZNQCLSA-N 1 1 367.402 2.315 20 5 FEBDMO Cc1ccc(NC2CC[NH+](CC(N)=O)CC2)c([N+](=O)[O-])c1Br ZINC000804340377 674281250 /nfs/dbraw/zinc/28/12/50/674281250.db2.gz QIETWYKRJOCURM-UHFFFAOYSA-N 1 1 371.235 2.027 20 5 FEBDMO CSc1cccc(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000188174798 328071400 /nfs/dbraw/zinc/07/14/00/328071400.db2.gz VLPQAXSANFCVBD-CYBMUJFWSA-N 1 1 365.455 2.111 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000188609462 328098363 /nfs/dbraw/zinc/09/83/63/328098363.db2.gz YIPHNHRHAHRKOZ-LBPRGKRZSA-N 1 1 367.471 2.234 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000188609462 328098364 /nfs/dbraw/zinc/09/83/64/328098364.db2.gz YIPHNHRHAHRKOZ-LBPRGKRZSA-N 1 1 367.471 2.234 20 5 FEBDMO COCCO[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000188823688 328112852 /nfs/dbraw/zinc/11/28/52/328112852.db2.gz QKBHXWTYDKBPFO-QGZVFWFLSA-N 1 1 360.414 2.233 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000189145575 328131100 /nfs/dbraw/zinc/13/11/00/328131100.db2.gz YWMRNZBJVUMNFA-HUUCEWRRSA-N 1 1 369.487 2.177 20 5 FEBDMO COc1ccc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000189150801 328131549 /nfs/dbraw/zinc/13/15/49/328131549.db2.gz KDGZULDMNVQOPX-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)NCC(F)(F)C[NH3+])cc2[N+](=O)[O-])C1 ZINC000190325152 328200635 /nfs/dbraw/zinc/20/06/35/328200635.db2.gz ATOBRWHDSTUOPR-VXGBXAGGSA-N 1 1 370.400 2.401 20 5 FEBDMO COCCN(C)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000190954848 328241788 /nfs/dbraw/zinc/24/17/88/328241788.db2.gz NSXMWEFAGMXTFM-UHFFFAOYSA-N 1 1 360.414 2.371 20 5 FEBDMO COc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)cc1[N+](=O)[O-] ZINC000054626392 324764446 /nfs/dbraw/zinc/76/44/46/324764446.db2.gz GKRBMYDUMFGQPQ-UHFFFAOYSA-N 1 1 367.365 2.423 20 5 FEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000078087285 325031132 /nfs/dbraw/zinc/03/11/32/325031132.db2.gz NKUFRBMKJMDRCI-GOSISDBHSA-N 1 1 355.394 2.112 20 5 FEBDMO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000078087285 325031136 /nfs/dbraw/zinc/03/11/36/325031136.db2.gz NKUFRBMKJMDRCI-GOSISDBHSA-N 1 1 355.394 2.112 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CCN(Cc3cccc(O)c3)CC2)c1 ZINC000081018958 325154571 /nfs/dbraw/zinc/15/45/71/325154571.db2.gz DCHMFHWTEJERPV-UHFFFAOYSA-N 1 1 357.410 2.497 20 5 FEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000081293371 325168459 /nfs/dbraw/zinc/16/84/59/325168459.db2.gz GPJQNZHXEKDAIR-CYBMUJFWSA-N 1 1 357.414 2.465 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000081293371 325168462 /nfs/dbraw/zinc/16/84/62/325168462.db2.gz GPJQNZHXEKDAIR-CYBMUJFWSA-N 1 1 357.414 2.465 20 5 FEBDMO O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000081293371 325168464 /nfs/dbraw/zinc/16/84/64/325168464.db2.gz GPJQNZHXEKDAIR-CYBMUJFWSA-N 1 1 357.414 2.465 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)CCc3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000087332845 325279848 /nfs/dbraw/zinc/27/98/48/325279848.db2.gz AARNRLZHYXUPLD-OAHLLOKOSA-N 1 1 361.442 2.239 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000090460148 325359210 /nfs/dbraw/zinc/35/92/10/325359210.db2.gz AFQCLMBRWMCOPA-UKRRQHHQSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000090460148 325359212 /nfs/dbraw/zinc/35/92/12/325359212.db2.gz AFQCLMBRWMCOPA-UKRRQHHQSA-N 1 1 353.806 2.231 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccccc1N1CCCC1 ZINC000090511171 325361780 /nfs/dbraw/zinc/36/17/80/325361780.db2.gz LSLHWMPXUAVSJL-UHFFFAOYSA-N 1 1 356.426 2.489 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000090554322 325363515 /nfs/dbraw/zinc/36/35/15/325363515.db2.gz RKLPGJPAVFDEFK-SFHVURJKSA-N 1 1 357.410 2.128 20 5 FEBDMO O=C(CC[N@H+]1CCCN(CC(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000091082687 325373173 /nfs/dbraw/zinc/37/31/73/325373173.db2.gz RGCXOLIBYGCEMJ-UHFFFAOYSA-N 1 1 356.373 2.196 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000116645956 326028705 /nfs/dbraw/zinc/02/87/05/326028705.db2.gz XQOUKZTYNUPJMU-CQSZACIVSA-N 1 1 363.414 2.317 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)o2)cc1 ZINC000119538981 326173491 /nfs/dbraw/zinc/17/34/91/326173491.db2.gz AMFXWTHBSQFNCP-ZDUSSCGKSA-N 1 1 369.385 2.149 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)o2)cc1 ZINC000119538981 326173495 /nfs/dbraw/zinc/17/34/95/326173495.db2.gz AMFXWTHBSQFNCP-ZDUSSCGKSA-N 1 1 369.385 2.149 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000119929054 326212941 /nfs/dbraw/zinc/21/29/41/326212941.db2.gz KCWWQAMFOSUSJU-OLMNPRSZSA-N 1 1 359.426 2.229 20 5 FEBDMO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000120409031 326256414 /nfs/dbraw/zinc/25/64/14/326256414.db2.gz VRMKPBAEYWNEIZ-KRWDZBQOSA-N 1 1 371.397 2.415 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000120642554 326275535 /nfs/dbraw/zinc/27/55/35/326275535.db2.gz CVHNZUROXVVFND-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121600717 326350983 /nfs/dbraw/zinc/35/09/83/326350983.db2.gz XOJAOGDHFBNOIS-UHFFFAOYSA-N 1 1 373.413 2.252 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000122364442 326393895 /nfs/dbraw/zinc/39/38/95/326393895.db2.gz JIXLWIPEQMXRKN-UKRRQHHQSA-N 1 1 353.444 2.008 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000122473904 326398314 /nfs/dbraw/zinc/39/83/14/326398314.db2.gz PRHJGLOBTPZFEA-YPMHNXCESA-N 1 1 373.862 2.353 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000123891239 326444330 /nfs/dbraw/zinc/44/43/30/326444330.db2.gz JDRJFWAOWXUEGN-OCAPTIKFSA-N 1 1 368.242 2.273 20 5 FEBDMO Cc1nn(C)c(C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)c1[N+](=O)[O-] ZINC000127018738 326498893 /nfs/dbraw/zinc/49/88/93/326498893.db2.gz MZFZNNKBDBVRSJ-UHFFFAOYSA-N 1 1 372.360 2.200 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000151288238 326678824 /nfs/dbraw/zinc/67/88/24/326678824.db2.gz JHKNJQZJRQPUHE-CQSZACIVSA-N 1 1 369.468 2.379 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000165996516 327080290 /nfs/dbraw/zinc/08/02/90/327080290.db2.gz PBPNEUYBMKKMQE-UHFFFAOYSA-N 1 1 371.441 2.109 20 5 FEBDMO CC1(C)C[N@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000170629347 327089832 /nfs/dbraw/zinc/08/98/32/327089832.db2.gz FQUXCWNPNHMDLN-UHFFFAOYSA-N 1 1 364.446 2.014 20 5 FEBDMO CC1(C)C[N@@H+](CCNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000170629347 327089833 /nfs/dbraw/zinc/08/98/33/327089833.db2.gz FQUXCWNPNHMDLN-UHFFFAOYSA-N 1 1 364.446 2.014 20 5 FEBDMO O=C(Cn1cc([N+](=O)[O-])cn1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000171884502 327167554 /nfs/dbraw/zinc/16/75/54/327167554.db2.gz XUKRZKMAQRHCIH-ALOPSCKCSA-N 1 1 369.425 2.103 20 5 FEBDMO CCOC(=O)c1ccnc(N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1[N+](=O)[O-] ZINC000172765173 327217853 /nfs/dbraw/zinc/21/78/53/327217853.db2.gz NDFKZJGFDVVUBT-OCCSQVGLSA-N 1 1 350.419 2.333 20 5 FEBDMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000173295175 327248117 /nfs/dbraw/zinc/24/81/17/327248117.db2.gz UZTLRQJBCXIIKC-QZEKMECESA-N 1 1 372.469 2.237 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000173665895 327274894 /nfs/dbraw/zinc/27/48/94/327274894.db2.gz SERFDKRTWFKFKR-CQSZACIVSA-N 1 1 355.460 2.398 20 5 FEBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000173791295 327284465 /nfs/dbraw/zinc/28/44/65/327284465.db2.gz JWACMHMLHUDELQ-XHSDSOJGSA-N 1 1 354.451 2.068 20 5 FEBDMO CC[N@H+](C)C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917369 327294174 /nfs/dbraw/zinc/29/41/74/327294174.db2.gz OIZHCMDILBGMCO-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000173917369 327294176 /nfs/dbraw/zinc/29/41/76/327294176.db2.gz OIZHCMDILBGMCO-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO COc1cccc(C[N@@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]2CCCO2)c1 ZINC000174833865 327353815 /nfs/dbraw/zinc/35/38/15/327353815.db2.gz QSVYTGKBEAGGIY-GOSISDBHSA-N 1 1 360.414 2.481 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000175213274 327380332 /nfs/dbraw/zinc/38/03/32/327380332.db2.gz GVWRBQUKTCFSIK-TXEJJXNPSA-N 1 1 355.822 2.477 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261632844 328807274 /nfs/dbraw/zinc/80/72/74/328807274.db2.gz BBTVEPYXELWZQI-MRXNPFEDSA-N 1 1 359.357 2.286 20 5 FEBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC000261705067 328813079 /nfs/dbraw/zinc/81/30/79/328813079.db2.gz DFGXPRGHYXMULL-INIZCTEOSA-N 1 1 371.393 2.155 20 5 FEBDMO C[C@@H](C[NH+]1CCN(C)CC1)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000264421234 329021187 /nfs/dbraw/zinc/02/11/87/329021187.db2.gz RBBSDBLTEBOMNY-NSHDSACASA-N 1 1 357.252 2.405 20 5 FEBDMO C[C@@H](c1cccnc1)[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000265100329 329090919 /nfs/dbraw/zinc/09/09/19/329090919.db2.gz DQZISKDJCZMMDB-LBPRGKRZSA-N 1 1 354.370 2.409 20 5 FEBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000266203906 329200137 /nfs/dbraw/zinc/20/01/37/329200137.db2.gz HZONVNOTZNGMSC-CYBMUJFWSA-N 1 1 359.382 2.135 20 5 FEBDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266701902 329250915 /nfs/dbraw/zinc/25/09/15/329250915.db2.gz GPKMTTCMRJBJOK-HNNXBMFYSA-N 1 1 362.430 2.242 20 5 FEBDMO O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000272708060 329806517 /nfs/dbraw/zinc/80/65/17/329806517.db2.gz WRIYIKXOPSLCLS-UHFFFAOYSA-N 1 1 363.414 2.017 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000275923566 330103936 /nfs/dbraw/zinc/10/39/36/330103936.db2.gz ZTYYKUXXUXEOPP-JOCQHMNTSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2c(C)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000276602458 330169031 /nfs/dbraw/zinc/16/90/31/330169031.db2.gz OLSNGCHKUVKKSF-CYBMUJFWSA-N 1 1 355.822 2.085 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000276608375 330169704 /nfs/dbraw/zinc/16/97/04/330169704.db2.gz PFBAUSAKTFBGCA-ZDUSSCGKSA-N 1 1 367.833 2.351 20 5 FEBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1 ZINC000367036408 330209635 /nfs/dbraw/zinc/20/96/35/330209635.db2.gz GURYUPBGNSHHCO-ZFWWWQNUSA-N 1 1 371.397 2.135 20 5 FEBDMO C[C@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440836273 330276037 /nfs/dbraw/zinc/27/60/37/330276037.db2.gz ZEVOSKOWVVCTKQ-XCBNKYQSSA-N 1 1 368.242 2.320 20 5 FEBDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000155558209 545542401 /nfs/dbraw/zinc/54/24/01/545542401.db2.gz WQNOSBBYCKWWMC-PHIMTYICSA-N 1 1 370.247 2.451 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000156327844 545618212 /nfs/dbraw/zinc/61/82/12/545618212.db2.gz KSIOYLJYPSOVNL-AWEZNQCLSA-N 1 1 367.471 2.373 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]2c2nncn2C)cccc1[N+](=O)[O-] ZINC000157109732 545700609 /nfs/dbraw/zinc/70/06/09/545700609.db2.gz VEQCMEFCIMYHMQ-OAHLLOKOSA-N 1 1 358.402 2.197 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2nncn2C)cccc1[N+](=O)[O-] ZINC000157109732 545700613 /nfs/dbraw/zinc/70/06/13/545700613.db2.gz VEQCMEFCIMYHMQ-OAHLLOKOSA-N 1 1 358.402 2.197 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[N@@H+]1CC=CCC1 ZINC000477630472 561149789 /nfs/dbraw/zinc/14/97/89/561149789.db2.gz CIODUSZQEBNZAH-LBPRGKRZSA-N 1 1 353.806 2.394 20 5 FEBDMO Cc1cc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000159261027 545936254 /nfs/dbraw/zinc/93/62/54/545936254.db2.gz CBCRHIGLOOLTRZ-GOSISDBHSA-N 1 1 369.421 2.052 20 5 FEBDMO Cc1c(CNC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000478412919 561166333 /nfs/dbraw/zinc/16/63/33/561166333.db2.gz AATQNBUTCWNYQJ-MRXNPFEDSA-N 1 1 364.446 2.059 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000159804473 545981406 /nfs/dbraw/zinc/98/14/06/545981406.db2.gz OUINXTRDBZEQCV-HNNXBMFYSA-N 1 1 357.366 2.322 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2nc3sccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000160486897 546045115 /nfs/dbraw/zinc/04/51/15/546045115.db2.gz YMFOVTCYSICUNF-XQQFMLRXSA-N 1 1 365.459 2.382 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H]2CCCN2c2nc3sccn3c2[N+](=O)[O-])C[C@H](C)O1 ZINC000160486897 546045121 /nfs/dbraw/zinc/04/51/21/546045121.db2.gz YMFOVTCYSICUNF-XQQFMLRXSA-N 1 1 365.459 2.382 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000161308568 546119060 /nfs/dbraw/zinc/11/90/60/546119060.db2.gz VLHZJRTWYZQBLX-ZBFHGGJFSA-N 1 1 369.425 2.337 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000176816258 546492476 /nfs/dbraw/zinc/49/24/76/546492476.db2.gz DUFCNZMJHLCCBR-OCCSQVGLSA-N 1 1 357.414 2.273 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc([N+](=O)[O-])c1 ZINC000177031970 546527706 /nfs/dbraw/zinc/52/77/06/546527706.db2.gz OYHZJRNWPGENOF-FZMZJTMJSA-N 1 1 361.398 2.127 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000480854664 561218330 /nfs/dbraw/zinc/21/83/30/561218330.db2.gz ONSLHWDRQPCNMS-UONOGXRCSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000178382069 546784318 /nfs/dbraw/zinc/78/43/18/546784318.db2.gz PWWAVRUBSSOGIY-CZUORRHYSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1c(CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000481472512 561233495 /nfs/dbraw/zinc/23/34/95/561233495.db2.gz DBXMXWNJFNFVMF-IBGZPJMESA-N 1 1 369.421 2.420 20 5 FEBDMO Cc1c(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000481472512 561233496 /nfs/dbraw/zinc/23/34/96/561233496.db2.gz DBXMXWNJFNFVMF-IBGZPJMESA-N 1 1 369.421 2.420 20 5 FEBDMO C[C@@H](N1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1)C(F)(F)F ZINC000178743014 546842072 /nfs/dbraw/zinc/84/20/72/546842072.db2.gz XNIKHVMOUVCOEG-GFCCVEGCSA-N 1 1 374.363 2.492 20 5 FEBDMO CCOc1cc(N2CC[NH+](CCCC(=O)OC)CC2)ccc1[N+](=O)[O-] ZINC000481745903 561240646 /nfs/dbraw/zinc/24/06/46/561240646.db2.gz DOFNQWDONKZGAS-UHFFFAOYSA-N 1 1 351.403 2.069 20 5 FEBDMO CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481745293 561240681 /nfs/dbraw/zinc/24/06/81/561240681.db2.gz CHFYAHMSRNZIFD-GDBMZVCRSA-N 1 1 352.387 2.016 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000179611284 546985125 /nfs/dbraw/zinc/98/51/25/546985125.db2.gz ZPAHKDKKTVJDHC-UHFFFAOYSA-N 1 1 358.445 2.091 20 5 FEBDMO C[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180410288 547103889 /nfs/dbraw/zinc/10/38/89/547103889.db2.gz RNPAHYMQHKFQDY-KGLIPLIRSA-N 1 1 374.441 2.303 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000483124147 561268118 /nfs/dbraw/zinc/26/81/18/561268118.db2.gz ZKJUBVOCKIBFPY-MRXNPFEDSA-N 1 1 370.409 2.390 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000483124147 561268119 /nfs/dbraw/zinc/26/81/19/561268119.db2.gz ZKJUBVOCKIBFPY-MRXNPFEDSA-N 1 1 370.409 2.390 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)n1 ZINC000181290289 547288231 /nfs/dbraw/zinc/28/82/31/547288231.db2.gz MKPAMSZZBLIWES-OAHLLOKOSA-N 1 1 367.413 2.456 20 5 FEBDMO CC(C)(C)C[N@H+](CCCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181857317 547392587 /nfs/dbraw/zinc/39/25/87/547392587.db2.gz IGSNWXIOPONYFW-UHFFFAOYSA-N 1 1 358.460 2.099 20 5 FEBDMO CC(C)(C)C[N@@H+](CCCO)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000181857317 547392590 /nfs/dbraw/zinc/39/25/90/547392590.db2.gz IGSNWXIOPONYFW-UHFFFAOYSA-N 1 1 358.460 2.099 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000181958904 547413105 /nfs/dbraw/zinc/41/31/05/547413105.db2.gz KMELUXVLZOCLBA-FUHWJXTLSA-N 1 1 372.421 2.316 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C2(CCCCC2)C1 ZINC000182252015 547461549 /nfs/dbraw/zinc/46/15/49/547461549.db2.gz LPKFRXPJQQZPFD-UHFFFAOYSA-N 1 1 361.398 2.414 20 5 FEBDMO CCCCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(N)=O ZINC000183027086 547589302 /nfs/dbraw/zinc/58/93/02/547589302.db2.gz NULAWHIZSPQDEM-UHFFFAOYSA-N 1 1 350.419 2.209 20 5 FEBDMO COc1cccc([C@H]2[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])CC[N@@H+]2C2CC2)c1 ZINC000183264216 547628755 /nfs/dbraw/zinc/62/87/55/547628755.db2.gz DHQGMBUVHIVOKX-PBHICJAKSA-N 1 1 371.397 2.034 20 5 FEBDMO COc1cccc([C@H]2[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])CC[N@H+]2C2CC2)c1 ZINC000183264216 547628757 /nfs/dbraw/zinc/62/87/57/547628757.db2.gz DHQGMBUVHIVOKX-PBHICJAKSA-N 1 1 371.397 2.034 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)Nc3ccncc3[N+](=O)[O-])CC2)[nH+]1 ZINC000183567692 547682015 /nfs/dbraw/zinc/68/20/15/547682015.db2.gz PWGCQFNHDXMGFE-UHFFFAOYSA-N 1 1 356.386 2.484 20 5 FEBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183615714 547689724 /nfs/dbraw/zinc/68/97/24/547689724.db2.gz ZMALTTMRPJYYNA-UHFFFAOYSA-N 1 1 357.414 2.212 20 5 FEBDMO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ncc(-c2ccccc2)o1 ZINC000184848229 547886445 /nfs/dbraw/zinc/88/64/45/547886445.db2.gz NLRVZDNSECZKHY-DOMZBBRYSA-N 1 1 357.370 2.158 20 5 FEBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184937483 547903144 /nfs/dbraw/zinc/90/31/44/547903144.db2.gz LJLPMJDOVPXTCU-OAHLLOKOSA-N 1 1 369.425 2.166 20 5 FEBDMO C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@H+]1Cc1ccccc1 ZINC000184942984 547904096 /nfs/dbraw/zinc/90/40/96/547904096.db2.gz SVQYOKLPADLGGR-CQSZACIVSA-N 1 1 369.425 2.309 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000485963906 561333673 /nfs/dbraw/zinc/33/36/73/561333673.db2.gz GXIVLSXNUKEZKD-SNVBAGLBSA-N 1 1 352.341 2.373 20 5 FEBDMO COc1cnccc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000187117667 548251120 /nfs/dbraw/zinc/25/11/20/548251120.db2.gz OQDSWMJLFOFQLK-GFCCVEGCSA-N 1 1 365.411 2.123 20 5 FEBDMO Cc1cc(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000193551575 548389597 /nfs/dbraw/zinc/38/95/97/548389597.db2.gz LWPQEDBYKKUVHV-HNNXBMFYSA-N 1 1 350.419 2.382 20 5 FEBDMO Cc1cc(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000193626145 548391610 /nfs/dbraw/zinc/39/16/10/548391610.db2.gz DPBDXFKUKWQADQ-MRXNPFEDSA-N 1 1 350.419 2.382 20 5 FEBDMO Nc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000194754230 548527447 /nfs/dbraw/zinc/52/74/47/548527447.db2.gz UDRKGIOLQFOUCQ-OAHLLOKOSA-N 1 1 354.410 2.429 20 5 FEBDMO CCOCC[N@@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000486940706 561359973 /nfs/dbraw/zinc/35/99/73/561359973.db2.gz SXXXTUZQXYILHM-CYBMUJFWSA-N 1 1 361.402 2.192 20 5 FEBDMO CCOCC[N@H+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000486940706 561359974 /nfs/dbraw/zinc/35/99/74/561359974.db2.gz SXXXTUZQXYILHM-CYBMUJFWSA-N 1 1 361.402 2.192 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000227206666 548750150 /nfs/dbraw/zinc/75/01/50/548750150.db2.gz VCKSCLDFEYQHHL-CHWSQXEVSA-N 1 1 363.414 2.232 20 5 FEBDMO [NH3+]C[C@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237847700 548857868 /nfs/dbraw/zinc/85/78/68/548857868.db2.gz MYUWRXTYIJDGID-GMSGAONNSA-N 1 1 368.242 2.307 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245383385 548902218 /nfs/dbraw/zinc/90/22/18/548902218.db2.gz PAFVCTQOMOBELG-KCQAQPDRSA-N 1 1 362.430 2.012 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245483373 548932719 /nfs/dbraw/zinc/93/27/19/548932719.db2.gz FICHLZXBZNSJNX-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000246115727 549055894 /nfs/dbraw/zinc/05/58/94/549055894.db2.gz IQGROOFXCAQVST-GXTWGEPZSA-N 1 1 355.460 2.254 20 5 FEBDMO CCOC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246143185 549062137 /nfs/dbraw/zinc/06/21/37/549062137.db2.gz GLWVLLFJUUGIMJ-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246143185 549062141 /nfs/dbraw/zinc/06/21/41/549062141.db2.gz GLWVLLFJUUGIMJ-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO CC(=O)N1CC[C@H](C[N@H+](C)[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246196324 549074790 /nfs/dbraw/zinc/07/47/90/549074790.db2.gz DORRYTFECQBDFW-UKRRQHHQSA-N 1 1 362.430 2.030 20 5 FEBDMO 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Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000247217244 549300552 /nfs/dbraw/zinc/30/05/52/549300552.db2.gz XJMNXUDVPWQHNL-DZGCQCFKSA-N 1 1 353.444 2.008 20 5 FEBDMO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000247318675 549316747 /nfs/dbraw/zinc/31/67/47/549316747.db2.gz INVRBEHLYQWUNK-ZIAGYGMSSA-N 1 1 355.460 2.135 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000247981755 549397529 /nfs/dbraw/zinc/39/75/29/549397529.db2.gz HEVLZXVFGJAXCV-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000489320300 561408081 /nfs/dbraw/zinc/40/80/81/561408081.db2.gz CVVKTJNZCBQFRG-AWEZNQCLSA-N 1 1 351.403 2.024 20 5 FEBDMO CO[C@]1(C)C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000248461727 549445671 /nfs/dbraw/zinc/44/56/71/549445671.db2.gz PJQJEJLIHGQGQX-MZMPZRCHSA-N 1 1 352.431 2.470 20 5 FEBDMO COCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCO[C@@H]1C ZINC000489437020 561410975 /nfs/dbraw/zinc/41/09/75/561410975.db2.gz FQMZBPXPFPHKTN-MLGOLLRUSA-N 1 1 352.387 2.087 20 5 FEBDMO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCO[C@@H]1C ZINC000489437020 561410976 /nfs/dbraw/zinc/41/09/76/561410976.db2.gz FQMZBPXPFPHKTN-MLGOLLRUSA-N 1 1 352.387 2.087 20 5 FEBDMO CC1(C)C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000248825518 549508084 /nfs/dbraw/zinc/50/80/84/549508084.db2.gz XBIFHGIYYFPQBV-VXGBXAGGSA-N 1 1 350.341 2.063 20 5 FEBDMO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000250114760 549637301 /nfs/dbraw/zinc/63/73/01/549637301.db2.gz UHCKQHAJNRCGSQ-BLLLJJGKSA-N 1 1 357.414 2.081 20 5 FEBDMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)[C@@H](C(N)=O)C1 ZINC000250114760 549637302 /nfs/dbraw/zinc/63/73/02/549637302.db2.gz UHCKQHAJNRCGSQ-BLLLJJGKSA-N 1 1 357.414 2.081 20 5 FEBDMO NC(=O)[C@H]1CCO[C@@H]1C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000490210098 561428779 /nfs/dbraw/zinc/42/87/79/561428779.db2.gz MVTRLYKYFCEVIY-BLLLJJGKSA-N 1 1 367.833 2.351 20 5 FEBDMO CC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000268462428 550069980 /nfs/dbraw/zinc/06/99/80/550069980.db2.gz FKKBPFUVNQELMC-CMPLNLGQSA-N 1 1 373.251 2.034 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268535770 550083397 /nfs/dbraw/zinc/08/33/97/550083397.db2.gz JSMUYENHMAJPRP-KRWDZBQOSA-N 1 1 371.441 2.223 20 5 FEBDMO NC(=O)c1cc([C@H]2CCC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000493000802 561453954 /nfs/dbraw/zinc/45/39/54/561453954.db2.gz AIIWMGHLXCLBQJ-JTQLQIEISA-N 1 1 363.805 2.450 20 5 FEBDMO NC(=O)c1cc([C@H]2CCC[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)n[nH]1 ZINC000493000802 561453955 /nfs/dbraw/zinc/45/39/55/561453955.db2.gz AIIWMGHLXCLBQJ-JTQLQIEISA-N 1 1 363.805 2.450 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000270820910 550310548 /nfs/dbraw/zinc/31/05/48/550310548.db2.gz REGKMGIMSDQNCH-UHFFFAOYSA-N 1 1 368.865 2.396 20 5 FEBDMO O=C1CCCN1[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000270864982 550315224 /nfs/dbraw/zinc/31/52/24/550315224.db2.gz INJXSPWPSZCONK-MRXNPFEDSA-N 1 1 370.409 2.489 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000271433944 550375346 /nfs/dbraw/zinc/37/53/46/550375346.db2.gz SCITVNPMFGOUJG-ZBFHGGJFSA-N 1 1 371.441 2.453 20 5 FEBDMO C[N@@H+]1CC=C(CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000271986888 550414993 /nfs/dbraw/zinc/41/49/93/550414993.db2.gz PGINJKBYUMGRSW-UHFFFAOYSA-N 1 1 354.204 2.349 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c(C(=O)N4CCCC4)c3)[C@@H]2C1 ZINC000272177241 550427345 /nfs/dbraw/zinc/42/73/45/550427345.db2.gz JNODGUPJOCATIK-KBXCAEBGSA-N 1 1 358.442 2.361 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000272311902 550436601 /nfs/dbraw/zinc/43/66/01/550436601.db2.gz IJFFGKOLARZCCV-GXFFZTMASA-N 1 1 363.443 2.402 20 5 FEBDMO Cc1noc(CCC[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000272569489 550458604 /nfs/dbraw/zinc/45/86/04/550458604.db2.gz VPEWWKAFPGVRCH-INIZCTEOSA-N 1 1 356.386 2.332 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c([N+](=O)[O-])c1 ZINC000273034359 550481622 /nfs/dbraw/zinc/48/16/22/550481622.db2.gz COUUBBKXGHGRIG-CQSZACIVSA-N 1 1 366.414 2.457 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000277004878 550620867 /nfs/dbraw/zinc/62/08/67/550620867.db2.gz ABWSWVWNPFLALI-CYBMUJFWSA-N 1 1 354.426 2.428 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])C1 ZINC000277074426 550628923 /nfs/dbraw/zinc/62/89/23/550628923.db2.gz SWAIDEJKGXFPEI-GDBMZVCRSA-N 1 1 358.442 2.408 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000277482057 550676112 /nfs/dbraw/zinc/67/61/12/550676112.db2.gz IUNHTOILYIGZME-ZDUSSCGKSA-N 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/nfs/dbraw/zinc/52/95/70/561529570.db2.gz IYGKSFLCRFOOCL-STQMWFEESA-N 1 1 363.414 2.326 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C[C@@H]1C ZINC000498582584 561529588 /nfs/dbraw/zinc/52/95/88/561529588.db2.gz DHONXYPGMOSHMI-KBPBESRZSA-N 1 1 357.414 2.335 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1F ZINC000284916057 551666353 /nfs/dbraw/zinc/66/63/53/551666353.db2.gz MXSOCBCTGARHHH-CYBMUJFWSA-N 1 1 365.405 2.368 20 5 FEBDMO CCOC1CC2(C1)CC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000285418663 551753347 /nfs/dbraw/zinc/75/33/47/551753347.db2.gz GLGYRXRFIOMPNK-SYJJWHGVSA-N 1 1 350.415 2.226 20 5 FEBDMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285536629 551771424 /nfs/dbraw/zinc/77/14/24/551771424.db2.gz SUIXJCDWEUPLJM-UHFFFAOYSA-N 1 1 367.427 2.330 20 5 FEBDMO O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285827827 551816149 /nfs/dbraw/zinc/81/61/49/551816149.db2.gz HDGIVAFIMKAOFO-GOOCMWNKSA-N 1 1 355.398 2.243 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286133166 551852587 /nfs/dbraw/zinc/85/25/87/551852587.db2.gz WMCQFUDVQLOXKS-VXGBXAGGSA-N 1 1 371.384 2.236 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286133166 551852588 /nfs/dbraw/zinc/85/25/88/551852588.db2.gz WMCQFUDVQLOXKS-VXGBXAGGSA-N 1 1 371.384 2.236 20 5 FEBDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286398690 551883318 /nfs/dbraw/zinc/88/33/18/551883318.db2.gz HGUNLIYIFSLEPQ-OCBAZWNDSA-N 1 1 363.389 2.418 20 5 FEBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000286641018 551909708 /nfs/dbraw/zinc/90/97/08/551909708.db2.gz YUCUBQUFNKFIGK-GOSISDBHSA-N 1 1 370.409 2.390 20 5 FEBDMO Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000286641018 551909710 /nfs/dbraw/zinc/90/97/10/551909710.db2.gz YUCUBQUFNKFIGK-GOSISDBHSA-N 1 1 370.409 2.390 20 5 FEBDMO COc1ccc(OCC[N@@H+](CCCO)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000286688681 551914872 /nfs/dbraw/zinc/91/48/72/551914872.db2.gz ANXBOGZACVKHEZ-UHFFFAOYSA-N 1 1 361.398 2.262 20 5 FEBDMO CCc1nc(NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000286753781 551922298 /nfs/dbraw/zinc/92/22/98/551922298.db2.gz GZXZKPNHCXPERN-UHFFFAOYSA-N 1 1 350.400 2.141 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000288122436 552095059 /nfs/dbraw/zinc/09/50/59/552095059.db2.gz JIEFZCWZLVPCHJ-INIZCTEOSA-N 1 1 364.446 2.010 20 5 FEBDMO COC(=O)c1cc(NC(=O)N2CC[N@@H+](C)CC[C@@H]2C)c(C)c([N+](=O)[O-])c1 ZINC000499828965 561559397 /nfs/dbraw/zinc/55/93/97/561559397.db2.gz NNVBVNPYDXDEDT-NSHDSACASA-N 1 1 364.402 2.248 20 5 FEBDMO COCCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000288782385 552211775 /nfs/dbraw/zinc/21/17/75/552211775.db2.gz JITNQSNYLDYYPF-NSHDSACASA-N 1 1 359.810 2.170 20 5 FEBDMO COCCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000288782385 552211777 /nfs/dbraw/zinc/21/17/77/552211777.db2.gz JITNQSNYLDYYPF-NSHDSACASA-N 1 1 359.810 2.170 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290019087 552415063 /nfs/dbraw/zinc/41/50/63/552415063.db2.gz VADFXRIDQKEPSQ-UONOGXRCSA-N 1 1 366.805 2.131 20 5 FEBDMO NC(=O)c1ccnc(N2CCC[N@@H+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000290718090 552525311 /nfs/dbraw/zinc/52/53/11/552525311.db2.gz YIWQWYJAEKBZGG-UHFFFAOYSA-N 1 1 361.446 2.181 20 5 FEBDMO NC(=O)c1ccnc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000290720254 552525780 /nfs/dbraw/zinc/52/57/80/552525780.db2.gz YSFDGVUVUWHYDT-AWEZNQCLSA-N 1 1 355.398 2.165 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000290892012 552556777 /nfs/dbraw/zinc/55/67/77/552556777.db2.gz UYWFBSGEBXCERG-OAHLLOKOSA-N 1 1 362.430 2.086 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000291590305 552640596 /nfs/dbraw/zinc/64/05/96/552640596.db2.gz PWQVGEIKGVRQNT-GFCCVEGCSA-N 1 1 362.434 2.391 20 5 FEBDMO C[C@@H]1C[C@H](CCNC(=O)c2c([N+](=O)[O-])cnn2C)C[N@H+]1Cc1ccccc1 ZINC000501477707 561598246 /nfs/dbraw/zinc/59/82/46/561598246.db2.gz UDEHGCRXQBJVQF-ZBFHGGJFSA-N 1 1 371.441 2.359 20 5 FEBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c2)CCO1 ZINC000294407928 552903843 /nfs/dbraw/zinc/90/38/43/552903843.db2.gz FBAWWHPBXDVKIN-HNNXBMFYSA-N 1 1 363.458 2.359 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c2)CCO1 ZINC000294407928 552903845 /nfs/dbraw/zinc/90/38/45/552903845.db2.gz FBAWWHPBXDVKIN-HNNXBMFYSA-N 1 1 363.458 2.359 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295043749 552953718 /nfs/dbraw/zinc/95/37/18/552953718.db2.gz GDJFRZFPUXASCX-CYBMUJFWSA-N 1 1 368.865 2.252 20 5 FEBDMO CN(C)C(=O)O[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000295165969 552965265 /nfs/dbraw/zinc/96/52/65/552965265.db2.gz SWPMQPHEVVOBMO-MRXNPFEDSA-N 1 1 373.413 2.268 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])n3C)c2)CCO1 ZINC000502420250 561618092 /nfs/dbraw/zinc/61/80/92/561618092.db2.gz YWRASFCOKAGSBI-CQSZACIVSA-N 1 1 372.425 2.084 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3ccc([N+](=O)[O-])n3C)c2)CCO1 ZINC000502420250 561618093 /nfs/dbraw/zinc/61/80/93/561618093.db2.gz YWRASFCOKAGSBI-CQSZACIVSA-N 1 1 372.425 2.084 20 5 FEBDMO CS(=O)(=O)CC1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000502880120 561628817 /nfs/dbraw/zinc/62/88/17/561628817.db2.gz CGYKXHDPSFKUKO-UHFFFAOYSA-N 1 1 368.455 2.263 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298002994 553369378 /nfs/dbraw/zinc/36/93/78/553369378.db2.gz YCKUKSMDLGZIJK-LLVKDONJSA-N 1 1 368.821 2.177 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298047554 553376988 /nfs/dbraw/zinc/37/69/88/553376988.db2.gz HMKAAMBDZWMUEY-LLVKDONJSA-N 1 1 368.821 2.177 20 5 FEBDMO CCOC(=O)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000298056292 553378178 /nfs/dbraw/zinc/37/81/78/553378178.db2.gz IHWTZTMSDKWVFR-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO CCOC(=O)C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000298056292 553378179 /nfs/dbraw/zinc/37/81/79/553378179.db2.gz IHWTZTMSDKWVFR-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000298094879 553383402 /nfs/dbraw/zinc/38/34/02/553383402.db2.gz QOCCZADPLBVXFF-HNNXBMFYSA-N 1 1 360.838 2.483 20 5 FEBDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000298094879 553383403 /nfs/dbraw/zinc/38/34/03/553383403.db2.gz QOCCZADPLBVXFF-HNNXBMFYSA-N 1 1 360.838 2.483 20 5 FEBDMO CCOc1cc(NC(=O)N2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OCC ZINC000298467166 553428290 /nfs/dbraw/zinc/42/82/90/553428290.db2.gz PHBLPMKNZJMCJX-UHFFFAOYSA-N 1 1 352.391 2.172 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](C)CC1 ZINC000299075576 553512231 /nfs/dbraw/zinc/51/22/31/553512231.db2.gz XJCWNZATGQQEFO-KRWDZBQOSA-N 1 1 373.457 2.078 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000299141540 553521053 /nfs/dbraw/zinc/52/10/53/553521053.db2.gz HVIWYXHOUONSDJ-ZDUSSCGKSA-N 1 1 374.422 2.358 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000299141540 553521054 /nfs/dbraw/zinc/52/10/54/553521054.db2.gz HVIWYXHOUONSDJ-ZDUSSCGKSA-N 1 1 374.422 2.358 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000299194560 553528450 /nfs/dbraw/zinc/52/84/50/553528450.db2.gz DJQSJPCQLQLUGT-CYBMUJFWSA-N 1 1 374.441 2.175 20 5 FEBDMO Cc1n[nH]c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000299429370 553561880 /nfs/dbraw/zinc/56/18/80/553561880.db2.gz BUUMIOLKCSSWOZ-UHFFFAOYSA-N 1 1 357.414 2.193 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000299540208 553577974 /nfs/dbraw/zinc/57/79/74/553577974.db2.gz WEJGSNGVCVJBPA-GFCCVEGCSA-N 1 1 361.402 2.244 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000504302887 561656007 /nfs/dbraw/zinc/65/60/07/561656007.db2.gz PXLWLGQYSTXSDP-JKSUJKDBSA-N 1 1 373.457 2.053 20 5 FEBDMO Cc1ccnc(N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000301288067 553639256 /nfs/dbraw/zinc/63/92/56/553639256.db2.gz NPZPANQLJQFSJF-OAHLLOKOSA-N 1 1 356.430 2.316 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(NCc3ccccc3C[NH+]3CCOCC3)nn21 ZINC000301823982 553683052 /nfs/dbraw/zinc/68/30/52/553683052.db2.gz CVEJJTAPWWVKLL-UHFFFAOYSA-N 1 1 368.397 2.082 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302059568 553701149 /nfs/dbraw/zinc/70/11/49/553701149.db2.gz BCPPOONAHBZHFK-FRRDWIJNSA-N 1 1 370.475 2.021 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000302169207 553707934 /nfs/dbraw/zinc/70/79/34/553707934.db2.gz LDXXHOBATSCCNY-MLGOLLRUSA-N 1 1 355.398 2.021 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)C2)C1 ZINC000505608297 561675246 /nfs/dbraw/zinc/67/52/46/561675246.db2.gz MWKSWWMINPHGEA-IBGZPJMESA-N 1 1 369.425 2.338 20 5 FEBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000507141723 561719092 /nfs/dbraw/zinc/71/90/92/561719092.db2.gz IDBSPRQOQBOKMU-VFADXPBXSA-N 1 1 353.444 2.012 20 5 FEBDMO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000507141723 561719093 /nfs/dbraw/zinc/71/90/93/561719093.db2.gz IDBSPRQOQBOKMU-VFADXPBXSA-N 1 1 353.444 2.012 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000507380882 561727277 /nfs/dbraw/zinc/72/72/77/561727277.db2.gz MSPDMNKUEYXFBJ-CYBMUJFWSA-N 1 1 350.419 2.135 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000330435701 554121608 /nfs/dbraw/zinc/12/16/08/554121608.db2.gz MBENPWZAXNBBTQ-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000330663336 554153414 /nfs/dbraw/zinc/15/34/14/554153414.db2.gz DWGUSYAXOQOPDY-SNVBAGLBSA-N 1 1 361.320 2.312 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000330663336 554153418 /nfs/dbraw/zinc/15/34/18/554153418.db2.gz DWGUSYAXOQOPDY-SNVBAGLBSA-N 1 1 361.320 2.312 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000330720118 554162597 /nfs/dbraw/zinc/16/25/97/554162597.db2.gz WTTBCYVYJISHHM-DZGCQCFKSA-N 1 1 355.460 2.366 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000330720118 554162599 /nfs/dbraw/zinc/16/25/99/554162599.db2.gz WTTBCYVYJISHHM-DZGCQCFKSA-N 1 1 355.460 2.366 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000330891742 554183969 /nfs/dbraw/zinc/18/39/69/554183969.db2.gz KHDKNCGYVLWAMA-GFCCVEGCSA-N 1 1 359.423 2.086 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000331299031 554243688 /nfs/dbraw/zinc/24/36/88/554243688.db2.gz OHFAPFOCEBWNBT-NSHDSACASA-N 1 1 361.851 2.399 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000331728865 554316804 /nfs/dbraw/zinc/31/68/04/554316804.db2.gz NWXWJOHAUGMENC-OAHLLOKOSA-N 1 1 360.414 2.313 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000332221308 554404078 /nfs/dbraw/zinc/40/40/78/554404078.db2.gz KINBZOXNLFBUEW-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000332224648 554404505 /nfs/dbraw/zinc/40/45/05/554404505.db2.gz LTGDEXAZJZJEEQ-AWEZNQCLSA-N 1 1 355.460 2.316 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253770 554411123 /nfs/dbraw/zinc/41/11/23/554411123.db2.gz YNXTWCCIRPGQOQ-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+](CCO)[C@@H]2CCCSC2)c2c(c1)COCO2 ZINC000332317866 554423635 /nfs/dbraw/zinc/42/36/35/554423635.db2.gz HTDIVPBQLJIPMK-CQSZACIVSA-N 1 1 354.428 2.151 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)cc1[N+](=O)[O-] ZINC000332508726 554458833 /nfs/dbraw/zinc/45/88/33/554458833.db2.gz HAPKHESIZUIDPI-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000332520294 554461455 /nfs/dbraw/zinc/46/14/55/554461455.db2.gz YWDOUJVGQBSOIT-GOEBONIOSA-N 1 1 367.471 2.026 20 5 FEBDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000332520294 554461460 /nfs/dbraw/zinc/46/14/60/554461460.db2.gz YWDOUJVGQBSOIT-GOEBONIOSA-N 1 1 367.471 2.026 20 5 FEBDMO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000332520293 554461615 /nfs/dbraw/zinc/46/16/15/554461615.db2.gz YWDOUJVGQBSOIT-GDBMZVCRSA-N 1 1 367.471 2.026 20 5 FEBDMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000332520293 554461618 /nfs/dbraw/zinc/46/16/18/554461618.db2.gz YWDOUJVGQBSOIT-GDBMZVCRSA-N 1 1 367.471 2.026 20 5 FEBDMO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCC(=O)c1ccccc1 ZINC000511134981 561858712 /nfs/dbraw/zinc/85/87/12/561858712.db2.gz LSVQXZRSTZBRQS-UHFFFAOYSA-N 1 1 367.405 2.342 20 5 FEBDMO O=C(CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)NCC(=O)c1ccccc1 ZINC000511134981 561858713 /nfs/dbraw/zinc/85/87/13/561858713.db2.gz LSVQXZRSTZBRQS-UHFFFAOYSA-N 1 1 367.405 2.342 20 5 FEBDMO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000360973663 554898261 /nfs/dbraw/zinc/89/82/61/554898261.db2.gz VMOGFADGAOVXNT-CYBMUJFWSA-N 1 1 353.854 2.248 20 5 FEBDMO CN(c1ncc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000360973663 554898263 /nfs/dbraw/zinc/89/82/63/554898263.db2.gz VMOGFADGAOVXNT-CYBMUJFWSA-N 1 1 353.854 2.248 20 5 FEBDMO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000361099219 554903978 /nfs/dbraw/zinc/90/39/78/554903978.db2.gz BQAIAINRVYLVCO-ATZDWAIDSA-N 1 1 363.458 2.453 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)c1[N+](=O)[O-] ZINC000361536423 554924418 /nfs/dbraw/zinc/92/44/18/554924418.db2.gz DMXOZZBOMXXRRC-UHFFFAOYSA-N 1 1 358.402 2.057 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000362388288 554968438 /nfs/dbraw/zinc/96/84/38/554968438.db2.gz CXAQLACZSHKJMA-HUUCEWRRSA-N 1 1 361.398 2.128 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000362489822 554975307 /nfs/dbraw/zinc/97/53/07/554975307.db2.gz XBGRHWYSLCLSBA-HZPDHXFCSA-N 1 1 361.442 2.191 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000362901984 554997267 /nfs/dbraw/zinc/99/72/67/554997267.db2.gz PDJSRASEPQQVCG-NSHDSACASA-N 1 1 359.835 2.107 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000363422732 555101779 /nfs/dbraw/zinc/10/17/79/555101779.db2.gz IXHGJUNWTZJYLY-AGIUHOORSA-N 1 1 353.444 2.276 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000363458202 555110951 /nfs/dbraw/zinc/11/09/51/555110951.db2.gz ZAWUNTMONOLGTD-NWDGAFQWSA-N 1 1 354.794 2.233 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363678249 555161938 /nfs/dbraw/zinc/16/19/38/555161938.db2.gz KYMUJIZZJFMGCR-UXLLHSPISA-N 1 1 358.442 2.340 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)CC2)C1 ZINC000363694606 555166023 /nfs/dbraw/zinc/16/60/23/555166023.db2.gz ARDRQVFQFJAZLX-MRXNPFEDSA-N 1 1 352.866 2.460 20 5 FEBDMO COc1cc(C[NH+]2CCC(C(=O)NC3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000363821652 555193494 /nfs/dbraw/zinc/19/34/94/555193494.db2.gz GDHBZUAGVRTPKC-UHFFFAOYSA-N 1 1 351.378 2.233 20 5 FEBDMO COC(=O)c1cn([C@H]2CC[N@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)nn1 ZINC000363901236 555209891 /nfs/dbraw/zinc/20/98/91/555209891.db2.gz YVPOWFVLUWHBSY-JSGCOSHPSA-N 1 1 359.386 2.289 20 5 FEBDMO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C3)n1 ZINC000364869896 555420589 /nfs/dbraw/zinc/42/05/89/555420589.db2.gz UQKMDMJWIKZJTE-SJKOYZFVSA-N 1 1 360.418 2.388 20 5 FEBDMO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C3)n1 ZINC000364869896 555420590 /nfs/dbraw/zinc/42/05/90/555420590.db2.gz UQKMDMJWIKZJTE-SJKOYZFVSA-N 1 1 360.418 2.388 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365549706 555605965 /nfs/dbraw/zinc/60/59/65/555605965.db2.gz HROWPYNWBLUJER-NUEKZKHPSA-N 1 1 365.455 2.008 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2F)C[C@@H](C)O1 ZINC000366699640 555912185 /nfs/dbraw/zinc/91/21/85/555912185.db2.gz KGKORYMBRINTLU-MCIONIFRSA-N 1 1 365.405 2.448 20 5 FEBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000367390707 556036049 /nfs/dbraw/zinc/03/60/49/556036049.db2.gz SGZGZUKDIRVILI-AWEZNQCLSA-N 1 1 357.414 2.065 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000368218367 556251539 /nfs/dbraw/zinc/25/15/39/556251539.db2.gz GCODQJIQTABDGX-UHFFFAOYSA-N 1 1 374.485 2.422 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000368318569 556276989 /nfs/dbraw/zinc/27/69/89/556276989.db2.gz MYHTWLFSBLDQRW-IDCODDLRSA-N 1 1 372.469 2.237 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368692215 556386470 /nfs/dbraw/zinc/38/64/70/556386470.db2.gz MFQRWYVJYHXCDA-DLBZAZTESA-N 1 1 355.442 2.282 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000368812226 556419291 /nfs/dbraw/zinc/41/92/91/556419291.db2.gz KOJCSEYGKHNFJA-LBPRGKRZSA-N 1 1 359.835 2.107 20 5 FEBDMO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368958969 556459591 /nfs/dbraw/zinc/45/95/91/556459591.db2.gz PUCMFVCPHSBJTH-FDQGKXFDSA-N 1 1 369.425 2.081 20 5 FEBDMO Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015906 556477373 /nfs/dbraw/zinc/47/73/73/556477373.db2.gz COZHFMFMCBGBJH-NVXWUHKLSA-N 1 1 371.441 2.442 20 5 FEBDMO Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369015906 556477374 /nfs/dbraw/zinc/47/73/74/556477374.db2.gz COZHFMFMCBGBJH-NVXWUHKLSA-N 1 1 371.441 2.442 20 5 FEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC2(CCOCC2)O1 ZINC000369316147 556572970 /nfs/dbraw/zinc/57/29/70/556572970.db2.gz YPENJEOKDVEJGZ-AWEZNQCLSA-N 1 1 363.414 2.193 20 5 FEBDMO C[NH+](C)[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000369599577 556643524 /nfs/dbraw/zinc/64/35/24/556643524.db2.gz KIAXRONQEIJBMK-HXUWFJFHSA-N 1 1 369.421 2.493 20 5 FEBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1cc([N+](=O)[O-])cc(F)c1F ZINC000369641265 556655365 /nfs/dbraw/zinc/65/53/65/556655365.db2.gz SRYOACPYGJXGGN-JTQLQIEISA-N 1 1 350.325 2.404 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCN(c2cccnn2)CC1 ZINC000370443021 556875028 /nfs/dbraw/zinc/87/50/28/556875028.db2.gz YUYMVRGFGJHZBR-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827258 556981155 /nfs/dbraw/zinc/98/11/55/556981155.db2.gz RIEQAXZKDWYYBR-JSGCOSHPSA-N 1 1 373.331 2.207 20 5 FEBDMO Cn1cc([C@H]2[C@H](CNC(=O)c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000370904078 557009710 /nfs/dbraw/zinc/00/97/10/557009710.db2.gz HITNXGTWHUTWOT-SUMWQHHRSA-N 1 1 357.414 2.141 20 5 FEBDMO Cn1cc([C@H]2[C@@H](CNC(=O)Cc3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000370920148 557015974 /nfs/dbraw/zinc/01/59/74/557015974.db2.gz ZGZSPSCWPRCPOU-DNVCBOLYSA-N 1 1 371.441 2.070 20 5 FEBDMO CCN1C(=O)N=NC1C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000370931479 557020704 /nfs/dbraw/zinc/02/07/04/557020704.db2.gz STIGBSRGYLQNNO-UHFFFAOYSA-N 1 1 361.402 2.300 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@H]2[C@H]1c1ccccc1 ZINC000371052485 557059348 /nfs/dbraw/zinc/05/93/48/557059348.db2.gz ILFAGLKDPXQEMM-KBRIMQKVSA-N 1 1 368.393 2.070 20 5 FEBDMO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371492066 557199016 /nfs/dbraw/zinc/19/90/16/557199016.db2.gz AKGDGIVLNZIJMU-WBVHZDCISA-N 1 1 371.441 2.208 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000371784125 557292616 /nfs/dbraw/zinc/29/26/16/557292616.db2.gz PPTOWROCYBPFHC-WYTCUBLDSA-N 1 1 359.426 2.368 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000371784125 557292618 /nfs/dbraw/zinc/29/26/18/557292618.db2.gz PPTOWROCYBPFHC-WYTCUBLDSA-N 1 1 359.426 2.368 20 5 FEBDMO Cc1cc(NC(=O)[C@@H]2CC2[N+](=O)[O-])n([C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000372086334 557376556 /nfs/dbraw/zinc/37/65/56/557376556.db2.gz UPWJXHULZOWTLD-BRWVUGGUSA-N 1 1 369.425 2.242 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000372296554 557432486 /nfs/dbraw/zinc/43/24/86/557432486.db2.gz RJZZALRXNCJYBN-WMZOPIPTSA-N 1 1 350.415 2.226 20 5 FEBDMO CC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607767 557519518 /nfs/dbraw/zinc/51/95/18/557519518.db2.gz VZINXZOJSFMUNX-KRWDZBQOSA-N 1 1 360.458 2.402 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000373054511 557618016 /nfs/dbraw/zinc/61/80/16/557618016.db2.gz CEKKQYJQLBVDOE-JTQLQIEISA-N 1 1 370.456 2.177 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2ccncc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000373289335 557666242 /nfs/dbraw/zinc/66/62/42/557666242.db2.gz QDXGEVMMCODEON-XHDPSFHLSA-N 1 1 361.427 2.288 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000373928647 557789258 /nfs/dbraw/zinc/78/92/58/557789258.db2.gz GGLKQMABWHFHNR-RHSMWYFYSA-N 1 1 355.398 2.137 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000373939097 557791899 /nfs/dbraw/zinc/79/18/99/557791899.db2.gz QMZUDMDEIVYUPL-STQMWFEESA-N 1 1 363.414 2.359 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000374039305 557812253 /nfs/dbraw/zinc/81/22/53/557812253.db2.gz QRIYWZSSWJXMCV-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCCC[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000374039305 557812254 /nfs/dbraw/zinc/81/22/54/557812254.db2.gz QRIYWZSSWJXMCV-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000374585915 557902980 /nfs/dbraw/zinc/90/29/80/557902980.db2.gz LMRQEVUGFCRAJB-NSNWQYSKSA-N 1 1 350.415 2.080 20 5 FEBDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394501 558020392 /nfs/dbraw/zinc/02/03/92/558020392.db2.gz UHPHUBDRSKPCIA-ZBFHGGJFSA-N 1 1 369.425 2.406 20 5 FEBDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375394501 558020393 /nfs/dbraw/zinc/02/03/93/558020393.db2.gz UHPHUBDRSKPCIA-ZBFHGGJFSA-N 1 1 369.425 2.406 20 5 FEBDMO O=C(c1cc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000375556448 558048034 /nfs/dbraw/zinc/04/80/34/558048034.db2.gz GWTHREZWGCYTHZ-CVEARBPZSA-N 1 1 374.441 2.106 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000375737435 558074975 /nfs/dbraw/zinc/07/49/75/558074975.db2.gz CACSWJPGUDEHAA-SJORKVTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000375737435 558074977 /nfs/dbraw/zinc/07/49/77/558074977.db2.gz CACSWJPGUDEHAA-SJORKVTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1nc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375761358 558078892 /nfs/dbraw/zinc/07/88/92/558078892.db2.gz GCBKEUNCLMTZHX-CYBMUJFWSA-N 1 1 359.386 2.494 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000375857427 558089992 /nfs/dbraw/zinc/08/99/92/558089992.db2.gz CLLAZFDUUJRCDO-UHFFFAOYSA-N 1 1 358.398 2.299 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCc2nn(C(C)C)c(=O)cc2C1 ZINC000375857427 558089994 /nfs/dbraw/zinc/08/99/94/558089994.db2.gz CLLAZFDUUJRCDO-UHFFFAOYSA-N 1 1 358.398 2.299 20 5 FEBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000375894223 558095307 /nfs/dbraw/zinc/09/53/07/558095307.db2.gz XKWBTVXDFCGKKO-DLBZAZTESA-N 1 1 370.365 2.331 20 5 FEBDMO CC1(C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000375999221 558111855 /nfs/dbraw/zinc/11/18/55/558111855.db2.gz JXQHMVFORUTEMR-VCBZYWHSSA-N 1 1 361.442 2.426 20 5 FEBDMO O=C1[C@@H]([NH+]2CCC(c3cnccn3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000376998550 558250152 /nfs/dbraw/zinc/25/01/52/558250152.db2.gz UDCMKWJQZGDSJJ-SFHVURJKSA-N 1 1 367.409 2.370 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000377626875 558379839 /nfs/dbraw/zinc/37/98/39/558379839.db2.gz KYDQUWLEJRGYNZ-SFHVURJKSA-N 1 1 365.430 2.272 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000378407567 558549683 /nfs/dbraw/zinc/54/96/83/558549683.db2.gz XVYWLXSRSVFBMF-WFASDCNBSA-N 1 1 363.805 2.157 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)n1 ZINC000378407567 558549685 /nfs/dbraw/zinc/54/96/85/558549685.db2.gz XVYWLXSRSVFBMF-WFASDCNBSA-N 1 1 363.805 2.157 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000378642496 558599542 /nfs/dbraw/zinc/59/95/42/558599542.db2.gz PGNFLGVEPDYUBY-MRXNPFEDSA-N 1 1 359.357 2.486 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000378642496 558599543 /nfs/dbraw/zinc/59/95/43/558599543.db2.gz PGNFLGVEPDYUBY-MRXNPFEDSA-N 1 1 359.357 2.486 20 5 FEBDMO O=C(C[NH+]1CCC([C@@H]2CCOC2)CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000378643617 558599640 /nfs/dbraw/zinc/59/96/40/558599640.db2.gz AWQXTIIENNORJN-MRXNPFEDSA-N 1 1 359.426 2.232 20 5 FEBDMO C[C@H]1C[NH+](CCOC2CCN(c3ncc([N+](=O)[O-])s3)CC2)C[C@H](C)O1 ZINC000409717771 558716211 /nfs/dbraw/zinc/71/62/11/558716211.db2.gz SFLMMHBZXCUVGW-STQMWFEESA-N 1 1 370.475 2.146 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411546135 558914837 /nfs/dbraw/zinc/91/48/37/558914837.db2.gz SDHMIWVHKMEFJW-AWEZNQCLSA-N 1 1 364.446 2.387 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411970424 558997561 /nfs/dbraw/zinc/99/75/61/558997561.db2.gz FOKFSTXNFKRJLO-SJORKVTESA-N 1 1 355.394 2.304 20 5 FEBDMO CC(C)Oc1cc(C(=O)N[C@H](C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000412136300 559016357 /nfs/dbraw/zinc/01/63/57/559016357.db2.gz ZKVOSZUJVYJXTL-CQSZACIVSA-N 1 1 365.430 2.223 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412150648 559017082 /nfs/dbraw/zinc/01/70/82/559017082.db2.gz CBSAZRQEXVBBKT-ZWKOTPCHSA-N 1 1 361.442 2.268 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC000412158600 559017518 /nfs/dbraw/zinc/01/75/18/559017518.db2.gz IBDYPVAFBTWPIX-CHWSQXEVSA-N 1 1 365.405 2.370 20 5 FEBDMO C[N@H+]1CCN(CCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1(C)C ZINC000413285182 559095645 /nfs/dbraw/zinc/09/56/45/559095645.db2.gz QGLJLPMSUYDORW-UHFFFAOYSA-N 1 1 361.368 2.447 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000414476343 559167420 /nfs/dbraw/zinc/16/74/20/559167420.db2.gz ZZLWRRIPFNMIAJ-LLVKDONJSA-N 1 1 366.443 2.331 20 5 FEBDMO Cc1ccc(NC(=O)NC2CCC([NH+]3CCNCC3)CC2)cc1[N+](=O)[O-] ZINC000414658069 559177934 /nfs/dbraw/zinc/17/79/34/559177934.db2.gz LAZZFBUYAYFOCE-UHFFFAOYSA-N 1 1 361.446 2.241 20 5 FEBDMO CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2CNCCN2C)cc1[N+](=O)[O-] ZINC000414967318 559197509 /nfs/dbraw/zinc/19/75/09/559197509.db2.gz BAWADCPBZLRSIY-GOSISDBHSA-N 1 1 369.469 2.356 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000417044792 559345518 /nfs/dbraw/zinc/34/55/18/559345518.db2.gz QOHMLZYBGVTKKX-KGLIPLIRSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000417044792 559345519 /nfs/dbraw/zinc/34/55/19/559345519.db2.gz QOHMLZYBGVTKKX-KGLIPLIRSA-N 1 1 350.419 2.130 20 5 FEBDMO COc1ccc([C@@H](C[NH3+])CN2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000420364611 559483318 /nfs/dbraw/zinc/48/33/18/559483318.db2.gz DCEXJWHGIDWENP-HNNXBMFYSA-N 1 1 359.430 2.179 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2C[NH2+]1 ZINC000420457121 559488473 /nfs/dbraw/zinc/48/84/73/559488473.db2.gz IKUNYZQKODEVSJ-CYBMUJFWSA-N 1 1 361.423 2.423 20 5 FEBDMO Cn1cc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000425061030 559685955 /nfs/dbraw/zinc/68/59/55/559685955.db2.gz XMSZYXIADYHBON-WMLDXEAASA-N 1 1 369.425 2.162 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425325535 559696807 /nfs/dbraw/zinc/69/68/07/559696807.db2.gz OPQNXEVLGRQYGN-WMLDXEAASA-N 1 1 368.393 2.042 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000425668857 559713985 /nfs/dbraw/zinc/71/39/85/559713985.db2.gz NJXASMMKHKYQPX-UHFFFAOYSA-N 1 1 366.418 2.178 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000427373665 559754356 /nfs/dbraw/zinc/75/43/56/559754356.db2.gz BRBYUBIFYUBSTP-GOEBONIOSA-N 1 1 371.441 2.452 20 5 FEBDMO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428546130 559777914 /nfs/dbraw/zinc/77/79/14/559777914.db2.gz WOMULAXZUJASJZ-MRXNPFEDSA-N 1 1 357.366 2.119 20 5 FEBDMO O=C(Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000428546130 559777915 /nfs/dbraw/zinc/77/79/15/559777915.db2.gz WOMULAXZUJASJZ-MRXNPFEDSA-N 1 1 357.366 2.119 20 5 FEBDMO COC(=O)c1cc(N(C)CC[N@@H+]2CCOC(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000432923431 559867806 /nfs/dbraw/zinc/86/78/06/559867806.db2.gz FWTRILWHGUFPOO-UHFFFAOYSA-N 1 1 365.430 2.237 20 5 FEBDMO COC(=O)c1cc(N(C)CC[N@H+]2CCOC(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC000432923431 559867807 /nfs/dbraw/zinc/86/78/07/559867807.db2.gz FWTRILWHGUFPOO-UHFFFAOYSA-N 1 1 365.430 2.237 20 5 FEBDMO COc1cccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000435819881 559930611 /nfs/dbraw/zinc/93/06/11/559930611.db2.gz UORASCFIPCCPHE-UHFFFAOYSA-N 1 1 372.381 2.356 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000439130049 559988939 /nfs/dbraw/zinc/98/89/39/559988939.db2.gz JRJMSMPORMJXLZ-UHFFFAOYSA-N 1 1 364.427 2.345 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441211080 560026389 /nfs/dbraw/zinc/02/63/89/560026389.db2.gz PWDMJPGTNVRWJR-KBPBESRZSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000441211080 560026390 /nfs/dbraw/zinc/02/63/90/560026390.db2.gz PWDMJPGTNVRWJR-KBPBESRZSA-N 1 1 363.414 2.290 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000441318722 560028675 /nfs/dbraw/zinc/02/86/75/560028675.db2.gz QBHUXYNAJYBQAE-SMDDNHRTSA-N 1 1 364.320 2.370 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000441318722 560028676 /nfs/dbraw/zinc/02/86/76/560028676.db2.gz QBHUXYNAJYBQAE-SMDDNHRTSA-N 1 1 364.320 2.370 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000443956540 560097286 /nfs/dbraw/zinc/09/72/86/560097286.db2.gz HJBAEIFPGPJJSK-UHFFFAOYSA-N 1 1 355.460 2.304 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000446336019 560144438 /nfs/dbraw/zinc/14/44/38/560144438.db2.gz CSYUOEWDKDPUEE-GFCCVEGCSA-N 1 1 355.822 2.085 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000448354522 560185194 /nfs/dbraw/zinc/18/51/94/560185194.db2.gz KMNHQJUERAZQMU-UKRRQHHQSA-N 1 1 366.414 2.272 20 5 FEBDMO COc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000448579440 560190935 /nfs/dbraw/zinc/19/09/35/560190935.db2.gz JEDXHHYJZUMWAU-CYBMUJFWSA-N 1 1 351.334 2.368 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000449784624 560240049 /nfs/dbraw/zinc/24/00/49/560240049.db2.gz XRFIBBINSUIDAF-HIFRSBDPSA-N 1 1 364.398 2.003 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000449784624 560240050 /nfs/dbraw/zinc/24/00/50/560240050.db2.gz XRFIBBINSUIDAF-HIFRSBDPSA-N 1 1 364.398 2.003 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000449985939 560247377 /nfs/dbraw/zinc/24/73/77/560247377.db2.gz NPPFVLDMXPESEW-PXAZEXFGSA-N 1 1 357.414 2.397 20 5 FEBDMO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449985939 560247378 /nfs/dbraw/zinc/24/73/78/560247378.db2.gz NPPFVLDMXPESEW-PXAZEXFGSA-N 1 1 357.414 2.397 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000449985939 560247379 /nfs/dbraw/zinc/24/73/79/560247379.db2.gz NPPFVLDMXPESEW-PXAZEXFGSA-N 1 1 357.414 2.397 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)CC[C@@H]21 ZINC000450146941 560252171 /nfs/dbraw/zinc/25/21/71/560252171.db2.gz MJONSJUMEMHXSJ-CVEARBPZSA-N 1 1 369.425 2.337 20 5 FEBDMO Cn1cc(C[NH+]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)cn1 ZINC000450321311 560258559 /nfs/dbraw/zinc/25/85/59/560258559.db2.gz ZUQRZHLOWLASTD-UHFFFAOYSA-N 1 1 352.398 2.199 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000450594308 560267308 /nfs/dbraw/zinc/26/73/08/560267308.db2.gz KFJITEXPXLTNRZ-NSHDSACASA-N 1 1 359.224 2.011 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@H+](CCCO)C2)nc1-c1ccccc1 ZINC000450610782 560268019 /nfs/dbraw/zinc/26/80/19/560268019.db2.gz HHOIBAUBTOEWLP-MRXNPFEDSA-N 1 1 356.426 2.916 20 5 FEBDMO O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548436 560313788 /nfs/dbraw/zinc/31/37/88/560313788.db2.gz NFDANSHQOWQYMA-MRXNPFEDSA-N 1 1 367.409 2.284 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451861535 560332964 /nfs/dbraw/zinc/33/29/64/560332964.db2.gz XSHAPCIZLUMGNQ-CVEARBPZSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451861535 560332965 /nfs/dbraw/zinc/33/29/65/560332965.db2.gz XSHAPCIZLUMGNQ-CVEARBPZSA-N 1 1 363.414 2.431 20 5 FEBDMO COC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452092201 560350790 /nfs/dbraw/zinc/35/07/90/560350790.db2.gz UDPLHUHQNZGNTF-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000452092201 560350791 /nfs/dbraw/zinc/35/07/91/560350791.db2.gz UDPLHUHQNZGNTF-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CNc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000456035082 560505124 /nfs/dbraw/zinc/50/51/24/560505124.db2.gz ANUWACJATBEMBO-CZUORRHYSA-N 1 1 369.425 2.282 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000456350747 560516701 /nfs/dbraw/zinc/51/67/01/560516701.db2.gz LZWZGXCCMFNOQV-OAHLLOKOSA-N 1 1 357.414 2.337 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC000457095118 560548389 /nfs/dbraw/zinc/54/83/89/560548389.db2.gz PIYOEPVHNUYPHL-CQSZACIVSA-N 1 1 367.471 2.234 20 5 FEBDMO CON1CCC([N@@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000459583862 560695805 /nfs/dbraw/zinc/69/58/05/560695805.db2.gz UTZSTTRPBGLHCH-UHFFFAOYSA-N 1 1 350.419 2.189 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000464857041 560853558 /nfs/dbraw/zinc/85/35/58/560853558.db2.gz TYJXJWTZXZYPTR-CJNGLKHVSA-N 1 1 363.414 2.433 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000464857041 560853559 /nfs/dbraw/zinc/85/35/59/560853559.db2.gz TYJXJWTZXZYPTR-CJNGLKHVSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(CNC(=O)NCCCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000465726012 560871896 /nfs/dbraw/zinc/87/18/96/560871896.db2.gz OXRUOQFTKNMKNA-UHFFFAOYSA-N 1 1 361.402 2.388 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCO1 ZINC000467162131 560905328 /nfs/dbraw/zinc/90/53/28/560905328.db2.gz XREDUJMNONLDTR-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1[N+](=O)[O-] ZINC000467669405 560914582 /nfs/dbraw/zinc/91/45/82/560914582.db2.gz WUGOVCDDEUTJCA-LJQANCHMSA-N 1 1 373.384 2.101 20 5 FEBDMO COc1cc(S(=O)(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000469188442 560949387 /nfs/dbraw/zinc/94/93/87/560949387.db2.gz WWHIIKOQNXMVPT-BETUJISGSA-N 1 1 371.459 2.145 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)CCCO1 ZINC000470063725 560973211 /nfs/dbraw/zinc/97/32/11/560973211.db2.gz AFNYKIQBFRNXAY-HNNXBMFYSA-N 1 1 374.441 2.167 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000473956480 561062205 /nfs/dbraw/zinc/06/22/05/561062205.db2.gz MLNHZNYVGSXLFU-MNOVXSKESA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000473956480 561062206 /nfs/dbraw/zinc/06/22/06/561062206.db2.gz MLNHZNYVGSXLFU-MNOVXSKESA-N 1 1 361.489 2.363 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+]Cc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000474356954 561071966 /nfs/dbraw/zinc/07/19/66/561071966.db2.gz SAEIVZJJCKCUHN-UHFFFAOYSA-N 1 1 374.349 2.165 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+](C)Cc2cnccc2C)cc1[N+](=O)[O-] ZINC000475562517 561099924 /nfs/dbraw/zinc/09/99/24/561099924.db2.gz TYVORSJUPWMNJR-UHFFFAOYSA-N 1 1 359.382 2.482 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)Cc2cnccc2C)cc1[N+](=O)[O-] ZINC000475562517 561099925 /nfs/dbraw/zinc/09/99/25/561099925.db2.gz TYVORSJUPWMNJR-UHFFFAOYSA-N 1 1 359.382 2.482 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000475692789 561102362 /nfs/dbraw/zinc/10/23/62/561102362.db2.gz BFFYJNVRFJQQGT-CQSZACIVSA-N 1 1 352.387 2.005 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000475706398 561102901 /nfs/dbraw/zinc/10/29/01/561102901.db2.gz PBWDYBPYVHMAGH-CABCVRRESA-N 1 1 364.398 2.148 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000530811479 562424671 /nfs/dbraw/zinc/42/46/71/562424671.db2.gz SQGFRUVSNUAVKS-FQEVSTJZSA-N 1 1 369.421 2.190 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000532165061 562469312 /nfs/dbraw/zinc/46/93/12/562469312.db2.gz QEGOCJPBLBWKBR-ZDUSSCGKSA-N 1 1 370.475 2.131 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000532571896 562481785 /nfs/dbraw/zinc/48/17/85/562481785.db2.gz MZFZMDXVOSNJKS-AWEZNQCLSA-N 1 1 373.409 2.425 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000532571896 562481786 /nfs/dbraw/zinc/48/17/86/562481786.db2.gz MZFZMDXVOSNJKS-AWEZNQCLSA-N 1 1 373.409 2.425 20 5 FEBDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000534139001 562526315 /nfs/dbraw/zinc/52/63/15/562526315.db2.gz YAQNRZDMEXLSEE-INIZCTEOSA-N 1 1 357.410 2.472 20 5 FEBDMO O=C(CC[NH+]1CCN(c2ncccc2F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000534150818 562526491 /nfs/dbraw/zinc/52/64/91/562526491.db2.gz HSVGRABWSFJUHF-UHFFFAOYSA-N 1 1 373.388 2.280 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000535275789 562554886 /nfs/dbraw/zinc/55/48/86/562554886.db2.gz IYFNYKYDRQSOIO-CQSZACIVSA-N 1 1 355.350 2.240 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000535275789 562554887 /nfs/dbraw/zinc/55/48/87/562554887.db2.gz IYFNYKYDRQSOIO-CQSZACIVSA-N 1 1 355.350 2.240 20 5 FEBDMO C[N@H+]1CCC[C@H](CNC(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000570240376 568465316 /nfs/dbraw/zinc/46/53/16/568465316.db2.gz PHGVGEWRSAUDQB-CYBMUJFWSA-N 1 1 359.430 2.260 20 5 FEBDMO C[C@@H]1CCC[C@@](CNC[C@H](O)COc2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000570546474 568486547 /nfs/dbraw/zinc/48/65/47/568486547.db2.gz JARMFIBLEZYKCV-JTDSTZFVSA-N 1 1 365.474 2.435 20 5 FEBDMO CC(C)C[N@@H+]1CCCC[C@H]1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676219 568495010 /nfs/dbraw/zinc/49/50/10/568495010.db2.gz LGWQJAZJIUEORF-IRXDYDNUSA-N 1 1 365.474 2.435 20 5 FEBDMO CC(C)C[N@H+]1CCCC[C@H]1CNC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000570676219 568495012 /nfs/dbraw/zinc/49/50/12/568495012.db2.gz LGWQJAZJIUEORF-IRXDYDNUSA-N 1 1 365.474 2.435 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000821846564 599430214 /nfs/dbraw/zinc/43/02/14/599430214.db2.gz ULYROQTYAZKGDN-UHFFFAOYSA-N 1 1 370.369 2.082 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640020 607470677 /nfs/dbraw/zinc/47/06/77/607470677.db2.gz PPGIBSFZPPNHER-BLLLJJGKSA-N 1 1 369.429 2.228 20 5 FEBDMO C[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000820280717 606709524 /nfs/dbraw/zinc/70/95/24/606709524.db2.gz NEZGTFDFOGMVAA-GFCCVEGCSA-N 1 1 368.401 2.102 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000565707827 675145093 /nfs/dbraw/zinc/14/50/93/675145093.db2.gz LHUINVVNJKGEDM-CQSZACIVSA-N 1 1 370.475 2.309 20 5 FEBDMO COC(=O)c1cnc(N2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000572185056 670970699 /nfs/dbraw/zinc/97/06/99/670970699.db2.gz GRSPZWZFTZOWRV-UHFFFAOYSA-N 1 1 350.419 2.333 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000573529284 671133496 /nfs/dbraw/zinc/13/34/96/671133496.db2.gz SJYUZHATVLSKCD-LBPRGKRZSA-N 1 1 359.448 2.002 20 5 FEBDMO CC[C@H]1C[N@H+](C)CCN1C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000573780744 671163268 /nfs/dbraw/zinc/16/32/68/671163268.db2.gz QQKGKXULTNFKPE-NSHDSACASA-N 1 1 353.444 2.492 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000573780744 671163270 /nfs/dbraw/zinc/16/32/70/671163270.db2.gz QQKGKXULTNFKPE-NSHDSACASA-N 1 1 353.444 2.492 20 5 FEBDMO Cn1cc[nH+]c1[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000573931267 671183288 /nfs/dbraw/zinc/18/32/88/671183288.db2.gz PTAZFRRHBBNZCM-NSHDSACASA-N 1 1 363.805 2.410 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000574328101 671227149 /nfs/dbraw/zinc/22/71/49/671227149.db2.gz SHXRRAHKAHCWFS-QWHCGFSZSA-N 1 1 371.459 2.097 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000576914468 671403842 /nfs/dbraw/zinc/40/38/42/671403842.db2.gz GUTAVNZBFVQZSB-UHFFFAOYSA-N 1 1 350.419 2.231 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCC[N@@H+](CC)C(C)C)cc([N+](=O)[O-])c1 ZINC000608838761 675905282 /nfs/dbraw/zinc/90/52/82/675905282.db2.gz IOVVGBHILGUYOW-UHFFFAOYSA-N 1 1 351.403 2.232 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609674202 675931982 /nfs/dbraw/zinc/93/19/82/675931982.db2.gz GLHIASLHUNSEDO-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO CCOC(=O)c1ccnc(N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000610133760 675955934 /nfs/dbraw/zinc/95/59/34/675955934.db2.gz TWURPKONSDLKTE-QWHCGFSZSA-N 1 1 350.419 2.476 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135140 675956203 /nfs/dbraw/zinc/95/62/03/675956203.db2.gz KFRZMQVSKTWMGJ-KGLIPLIRSA-N 1 1 355.460 2.397 20 5 FEBDMO C[NH+]1CCN(CCCN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000582007911 671958642 /nfs/dbraw/zinc/95/86/42/671958642.db2.gz POZAMKCHGWJCPQ-OAHLLOKOSA-N 1 1 360.380 2.425 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCS(=O)(=O)c1ccc(F)cc1 ZINC000583257907 672078749 /nfs/dbraw/zinc/07/87/49/672078749.db2.gz DDGXXZULZIUCQM-UHFFFAOYSA-N 1 1 368.386 2.306 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000162178779 672302641 /nfs/dbraw/zinc/30/26/41/672302641.db2.gz OFHGJDIECMMJPN-NSHDSACASA-N 1 1 363.233 2.024 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC000586767528 672432202 /nfs/dbraw/zinc/43/22/02/672432202.db2.gz OAYRTXWASAECMZ-CYBMUJFWSA-N 1 1 354.401 2.085 20 5 FEBDMO CCOCCO[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589506063 672529850 /nfs/dbraw/zinc/52/98/50/672529850.db2.gz VKAYHYFINGOXNK-HNNXBMFYSA-N 1 1 352.387 2.009 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589506063 672529853 /nfs/dbraw/zinc/52/98/53/672529853.db2.gz VKAYHYFINGOXNK-HNNXBMFYSA-N 1 1 352.387 2.009 20 5 FEBDMO CSc1cccc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000589527528 672530389 /nfs/dbraw/zinc/53/03/89/672530389.db2.gz MDTDOTSKKUDYQM-UHFFFAOYSA-N 1 1 368.503 2.272 20 5 FEBDMO CSc1cccc(C(=O)N(C)CCCN(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000589527528 672530394 /nfs/dbraw/zinc/53/03/94/672530394.db2.gz MDTDOTSKKUDYQM-UHFFFAOYSA-N 1 1 368.503 2.272 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000589930775 672548755 /nfs/dbraw/zinc/54/87/55/672548755.db2.gz LDUQFSJHEMSSHV-CYBMUJFWSA-N 1 1 367.471 2.398 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@H]2C1 ZINC000590045726 672556094 /nfs/dbraw/zinc/55/60/94/672556094.db2.gz TYWBXCJSCOJPSQ-RISCZKNCSA-N 1 1 368.231 2.062 20 5 FEBDMO C[N@H+]1CCCN(CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000591143055 672654412 /nfs/dbraw/zinc/65/44/12/672654412.db2.gz UKSLBAYFPZOCLG-UHFFFAOYSA-N 1 1 361.368 2.448 20 5 FEBDMO CN1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000591143055 672654416 /nfs/dbraw/zinc/65/44/16/672654416.db2.gz UKSLBAYFPZOCLG-UHFFFAOYSA-N 1 1 361.368 2.448 20 5 FEBDMO CN1CCC[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000591143055 672654417 /nfs/dbraw/zinc/65/44/17/672654417.db2.gz UKSLBAYFPZOCLG-UHFFFAOYSA-N 1 1 361.368 2.448 20 5 FEBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000194353431 672757569 /nfs/dbraw/zinc/75/75/69/672757569.db2.gz JHFAVOXLKCEDAE-UHFFFAOYSA-N 1 1 373.450 2.476 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000592136704 672762671 /nfs/dbraw/zinc/76/26/71/672762671.db2.gz DHVPLIFIHPPNAC-QGZVFWFLSA-N 1 1 365.455 2.440 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)CO1 ZINC000593060904 672869743 /nfs/dbraw/zinc/86/97/43/672869743.db2.gz FMKRHUJYKWOXED-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000612121388 676069678 /nfs/dbraw/zinc/06/96/78/676069678.db2.gz RPETZZPCIVEFIO-HOTGVXAUSA-N 1 1 350.415 2.226 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484382 673088221 /nfs/dbraw/zinc/08/82/21/673088221.db2.gz QLFMGHWUWJVFQD-UKRRQHHQSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000725825294 673093172 /nfs/dbraw/zinc/09/31/72/673093172.db2.gz WVRPYTBXBHDUNH-NEPJUHHUSA-N 1 1 359.835 2.153 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793968 673145457 /nfs/dbraw/zinc/14/54/57/673145457.db2.gz XQAMCYMDARALNL-ZDUSSCGKSA-N 1 1 355.460 2.302 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595312444 673221494 /nfs/dbraw/zinc/22/14/94/673221494.db2.gz MOWQIGCGOBFRFE-QGZVFWFLSA-N 1 1 350.438 2.336 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCCN(c3cccc(F)c3F)CC2)c1 ZINC000595504397 673258883 /nfs/dbraw/zinc/25/88/83/673258883.db2.gz IOBANYUFZNNFGW-UHFFFAOYSA-N 1 1 351.357 2.282 20 5 FEBDMO O=C(C[N@@H+](CCOCCO)C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595599461 673271864 /nfs/dbraw/zinc/27/18/64/673271864.db2.gz MALZYWOQZBQPBV-UHFFFAOYSA-N 1 1 371.821 2.050 20 5 FEBDMO O=C(C[N@H+](CCOCCO)C1CCC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000595599461 673271866 /nfs/dbraw/zinc/27/18/66/673271866.db2.gz MALZYWOQZBQPBV-UHFFFAOYSA-N 1 1 371.821 2.050 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595679776 673282950 /nfs/dbraw/zinc/28/29/50/673282950.db2.gz YCAAJCZZYMLWRR-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595679776 673282952 /nfs/dbraw/zinc/28/29/52/673282952.db2.gz YCAAJCZZYMLWRR-IUODEOHRSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000595701100 673283906 /nfs/dbraw/zinc/28/39/06/673283906.db2.gz PSHRJXNSUCCBBT-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000595701100 673283911 /nfs/dbraw/zinc/28/39/11/673283911.db2.gz PSHRJXNSUCCBBT-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595847728 673329763 /nfs/dbraw/zinc/32/97/63/673329763.db2.gz DOAFORDZGZRXBL-JGZJWPJOSA-N 1 1 355.778 2.070 20 5 FEBDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000595847728 673329767 /nfs/dbraw/zinc/32/97/67/673329767.db2.gz DOAFORDZGZRXBL-JGZJWPJOSA-N 1 1 355.778 2.070 20 5 FEBDMO C[C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595908927 673337547 /nfs/dbraw/zinc/33/75/47/673337547.db2.gz JRICLDFMYSAXLQ-RHSMWYFYSA-N 1 1 369.487 2.208 20 5 FEBDMO COC(=O)c1cc(NCC[N@@H+]2C[C@H](C)OC[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427250 673384376 /nfs/dbraw/zinc/38/43/76/673384376.db2.gz DNJPWJIUWPSUSO-STQMWFEESA-N 1 1 351.403 2.211 20 5 FEBDMO COC(=O)c1cc(NCC[N@H+]2C[C@H](C)OC[C@@H]2C)cc(C)c1[N+](=O)[O-] ZINC000596427250 673384380 /nfs/dbraw/zinc/38/43/80/673384380.db2.gz DNJPWJIUWPSUSO-STQMWFEESA-N 1 1 351.403 2.211 20 5 FEBDMO C[N@H+]1CCCN(CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000733979444 673447866 /nfs/dbraw/zinc/44/78/66/673447866.db2.gz SUROQDLQAWMLOV-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@H+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000733979444 673447868 /nfs/dbraw/zinc/44/78/68/673447868.db2.gz SUROQDLQAWMLOV-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CN1CCC[N@@H+](CCCNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000733979444 673447872 /nfs/dbraw/zinc/44/78/72/673447872.db2.gz SUROQDLQAWMLOV-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO NS(=O)(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538739445 673455226 /nfs/dbraw/zinc/45/52/26/673455226.db2.gz IAIKKVDTQZZHJO-AWEZNQCLSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538739445 673455228 /nfs/dbraw/zinc/45/52/28/673455228.db2.gz IAIKKVDTQZZHJO-AWEZNQCLSA-N 1 1 365.411 2.108 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000597224032 673457950 /nfs/dbraw/zinc/45/79/50/673457950.db2.gz BUOKVUMQNQXIIQ-OLZOCXBDSA-N 1 1 352.387 2.146 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000597224032 673457953 /nfs/dbraw/zinc/45/79/53/673457953.db2.gz BUOKVUMQNQXIIQ-OLZOCXBDSA-N 1 1 352.387 2.146 20 5 FEBDMO C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1)c1ccc([N+](=O)[O-])cc1F ZINC000597579024 673489631 /nfs/dbraw/zinc/48/96/31/673489631.db2.gz LJBVVBMZNHSRAY-UVBJJODRSA-N 1 1 353.369 2.482 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(C)c1[N+](=O)[O-] ZINC000598604915 673588915 /nfs/dbraw/zinc/58/89/15/673588915.db2.gz CLBVNWATCSWIBN-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000598967478 673625653 /nfs/dbraw/zinc/62/56/53/673625653.db2.gz SIHQWQQRDAEPIO-CYBMUJFWSA-N 1 1 350.419 2.135 20 5 FEBDMO CC(C)n1cc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000543504178 673650743 /nfs/dbraw/zinc/65/07/43/673650743.db2.gz GZUZFBAPSSJOCG-CYBMUJFWSA-N 1 1 366.443 2.497 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000599416733 673672933 /nfs/dbraw/zinc/67/29/33/673672933.db2.gz XOWRRHXDIPHXQS-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c1C ZINC000545160120 673748004 /nfs/dbraw/zinc/74/80/04/673748004.db2.gz LEXXLWWNMPTMIL-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c1C ZINC000545160120 673748007 /nfs/dbraw/zinc/74/80/07/673748007.db2.gz LEXXLWWNMPTMIL-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000601292125 673838666 /nfs/dbraw/zinc/83/86/66/673838666.db2.gz SIRSWAWKNLVJKO-BETUJISGSA-N 1 1 353.394 2.353 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000601356303 673847198 /nfs/dbraw/zinc/84/71/98/673847198.db2.gz MVOSGGMSPLDDSJ-NWDGAFQWSA-N 1 1 359.423 2.146 20 5 FEBDMO COCC[N@@H+](C)CCCNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602511366 673907040 /nfs/dbraw/zinc/90/70/40/673907040.db2.gz QPNATZRSIAUSDK-UHFFFAOYSA-N 1 1 366.281 2.477 20 5 FEBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601973947 673900498 /nfs/dbraw/zinc/90/04/98/673900498.db2.gz FPMWLPGNPWLNOZ-PHIMTYICSA-N 1 1 374.178 2.278 20 5 FEBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601973947 673900502 /nfs/dbraw/zinc/90/05/02/673900502.db2.gz FPMWLPGNPWLNOZ-PHIMTYICSA-N 1 1 374.178 2.278 20 5 FEBDMO CCCC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC ZINC000602611852 673908671 /nfs/dbraw/zinc/90/86/71/673908671.db2.gz LVJVWRLZKJMZOT-HNNXBMFYSA-N 1 1 350.419 2.280 20 5 FEBDMO COCCC[N@H+](CCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602629639 673908743 /nfs/dbraw/zinc/90/87/43/673908743.db2.gz PSBWSFJEJJPIPQ-UHFFFAOYSA-N 1 1 353.238 2.250 20 5 FEBDMO COCCC[N@@H+](CCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602629639 673908746 /nfs/dbraw/zinc/90/87/46/673908746.db2.gz PSBWSFJEJJPIPQ-UHFFFAOYSA-N 1 1 353.238 2.250 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747534095 673931960 /nfs/dbraw/zinc/93/19/60/673931960.db2.gz ZHECUPUNCJGKAE-UHFFFAOYSA-N 1 1 355.439 2.274 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)C1 ZINC000822673288 675499776 /nfs/dbraw/zinc/49/97/76/675499776.db2.gz NLSCVGLEXSMISO-NSHDSACASA-N 1 1 368.821 2.278 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000825797522 675669488 /nfs/dbraw/zinc/66/94/88/675669488.db2.gz YVPLDWZNFJCHQO-GFCCVEGCSA-N 1 1 352.410 2.404 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827289009 675745600 /nfs/dbraw/zinc/74/56/00/675745600.db2.gz PUKUNNBOAIMPFG-RYUDHWBXSA-N 1 1 355.341 2.362 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000830024335 677022364 /nfs/dbraw/zinc/02/23/64/677022364.db2.gz QWVNAMPAWSBYPC-QBPKDAKJSA-N 1 1 361.467 2.394 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000839415903 680752364 /nfs/dbraw/zinc/75/23/64/680752364.db2.gz VMVUXAKFIHSJBG-ZDUSSCGKSA-N 1 1 350.375 2.368 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000839415903 680752366 /nfs/dbraw/zinc/75/23/66/680752366.db2.gz VMVUXAKFIHSJBG-ZDUSSCGKSA-N 1 1 350.375 2.368 20 5 FEBDMO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000839592280 680764386 /nfs/dbraw/zinc/76/43/86/680764386.db2.gz QJKDOSAYYDPSKR-NSHDSACASA-N 1 1 368.821 2.035 20 5 FEBDMO COC(=O)c1cnc([C@H](C)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000840723142 680839618 /nfs/dbraw/zinc/83/96/18/680839618.db2.gz ULODMGUNMIJXOU-CABZTGNLSA-N 1 1 351.384 2.222 20 5 FEBDMO O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000765798540 680855757 /nfs/dbraw/zinc/85/57/57/680855757.db2.gz RIZLRGFDBXWQPI-LBPRGKRZSA-N 1 1 361.427 2.346 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)C1 ZINC000748727837 679989910 /nfs/dbraw/zinc/98/99/10/679989910.db2.gz DHUHLKNEUQKOJI-LBPRGKRZSA-N 1 1 350.375 2.273 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831970931 680069220 /nfs/dbraw/zinc/06/92/20/680069220.db2.gz HOMJSWYRZACEBE-ZDUSSCGKSA-N 1 1 352.410 2.479 20 5 FEBDMO CC[C@H]1CN(CC)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831970931 680069223 /nfs/dbraw/zinc/06/92/23/680069223.db2.gz HOMJSWYRZACEBE-ZDUSSCGKSA-N 1 1 352.410 2.479 20 5 FEBDMO CC[C@H]1CN(CC)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000831970931 680069227 /nfs/dbraw/zinc/06/92/27/680069227.db2.gz HOMJSWYRZACEBE-ZDUSSCGKSA-N 1 1 352.410 2.479 20 5 FEBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063898 680193478 /nfs/dbraw/zinc/19/34/78/680193478.db2.gz NWPWWJYNVFMSCM-UTINFBMNSA-N 1 1 364.254 2.457 20 5 FEBDMO O=C(N[C@H]1CC[C@H]([NH2+]Cc2csc(C3CC3)n2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001034642618 680436609 /nfs/dbraw/zinc/43/66/09/680436609.db2.gz FCPKQQRODPEINC-QHSBEEBCSA-N 1 1 364.471 2.203 20 5 FEBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@@H+]1C ZINC000755814534 680438182 /nfs/dbraw/zinc/43/81/82/680438182.db2.gz IXIQUZRTEVNVOH-SNVBAGLBSA-N 1 1 356.220 2.062 20 5 FEBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000755814534 680438184 /nfs/dbraw/zinc/43/81/84/680438184.db2.gz IXIQUZRTEVNVOH-SNVBAGLBSA-N 1 1 356.220 2.062 20 5 FEBDMO C[N@@H+](Cc1cc(F)ccc1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430261 680447189 /nfs/dbraw/zinc/44/71/89/680447189.db2.gz CONKLJHKSVZXPH-GDBMZVCRSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@H+](Cc1cc(F)ccc1F)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430261 680447191 /nfs/dbraw/zinc/44/71/91/680447191.db2.gz CONKLJHKSVZXPH-GDBMZVCRSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@@H+](Cc1cc(F)ccc1F)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430261 680447194 /nfs/dbraw/zinc/44/71/94/680447194.db2.gz CONKLJHKSVZXPH-GDBMZVCRSA-N 1 1 353.369 2.053 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCc1ccsc1 ZINC001039583176 680464199 /nfs/dbraw/zinc/46/41/99/680464199.db2.gz FYWBDDOIRJWZHD-YYIAUSFCSA-N 1 1 363.483 2.411 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Cl ZINC000836641153 680493747 /nfs/dbraw/zinc/49/37/47/680493747.db2.gz KQUMWWKEOIYLMU-HOCLYGCPSA-N 1 1 367.833 2.228 20 5 FEBDMO O=C(NC1CC[NH+](CCc2ccc(Cl)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001002789618 680508223 /nfs/dbraw/zinc/50/82/23/680508223.db2.gz WDERHBFCFJYNBW-HZPDHXFCSA-N 1 1 351.834 2.128 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1Cl ZINC000836790752 680514638 /nfs/dbraw/zinc/51/46/38/680514638.db2.gz KJVFPYTXHLUUGX-GFCCVEGCSA-N 1 1 355.822 2.133 20 5 FEBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000841892483 680916723 /nfs/dbraw/zinc/91/67/23/680916723.db2.gz ZPFRPHRSJPDWOO-RYUDHWBXSA-N 1 1 372.263 2.244 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[N@H+]2CCCC(C)(C)C2)cc([N+](=O)[O-])c1F ZINC000767637881 680919880 /nfs/dbraw/zinc/91/98/80/680919880.db2.gz OTDVDMPVZZCOIS-UHFFFAOYSA-N 1 1 373.450 2.443 20 5 FEBDMO O=C(CN1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843387958 681000858 /nfs/dbraw/zinc/00/08/58/681000858.db2.gz YSHKZMHQYHFJQJ-TXEJJXNPSA-N 1 1 352.822 2.118 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000844950400 681094712 /nfs/dbraw/zinc/09/47/12/681094712.db2.gz JVSMPMXICCAYBK-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000844950400 681094714 /nfs/dbraw/zinc/09/47/14/681094714.db2.gz JVSMPMXICCAYBK-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@@H+](C)CCO ZINC000912608798 685405431 /nfs/dbraw/zinc/40/54/31/685405431.db2.gz YMLNUTAXVQJJGW-UHFFFAOYSA-N 1 1 355.460 2.091 20 5 FEBDMO C[C@@]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)(C(N)=O)c1cccc(Cl)c1 ZINC000776590971 681412545 /nfs/dbraw/zinc/41/25/45/681412545.db2.gz KWUYLJPSPHXDNO-WBVHZDCISA-N 1 1 363.801 2.272 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848581889 681582845 /nfs/dbraw/zinc/58/28/45/681582845.db2.gz ZHPVXCZVXLANLJ-NWDGAFQWSA-N 1 1 355.341 2.309 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000778320210 681596924 /nfs/dbraw/zinc/59/69/24/681596924.db2.gz RRYWZGOHNYALOZ-NSHDSACASA-N 1 1 363.443 2.307 20 5 FEBDMO CC(C)(CC[NH+]1CCOCC1)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000912955045 685467894 /nfs/dbraw/zinc/46/78/94/685467894.db2.gz LNUXBIQOHGLYKF-UHFFFAOYSA-N 1 1 355.822 2.479 20 5 FEBDMO CN(CC1C[NH+](C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000849446787 681738994 /nfs/dbraw/zinc/73/89/94/681738994.db2.gz DDYQIJAAPYPJFQ-UHFFFAOYSA-N 1 1 368.242 2.084 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000779882964 681765813 /nfs/dbraw/zinc/76/58/13/681765813.db2.gz VPNYYOHLVYGOCG-SNVBAGLBSA-N 1 1 359.835 2.072 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000779882964 681765818 /nfs/dbraw/zinc/76/58/18/681765818.db2.gz VPNYYOHLVYGOCG-SNVBAGLBSA-N 1 1 359.835 2.072 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@](O)(C2CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852503676 682291481 /nfs/dbraw/zinc/29/14/81/682291481.db2.gz YZAYHBYUNWLRGT-INIZCTEOSA-N 1 1 353.806 2.424 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@](O)(C2CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852503676 682291484 /nfs/dbraw/zinc/29/14/84/682291484.db2.gz YZAYHBYUNWLRGT-INIZCTEOSA-N 1 1 353.806 2.424 20 5 FEBDMO O=C(C[N@H+]1CCC[C@](O)(C2CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852503678 682291566 /nfs/dbraw/zinc/29/15/66/682291566.db2.gz YZAYHBYUNWLRGT-MRXNPFEDSA-N 1 1 353.806 2.424 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@](O)(C2CC2)C1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000852503678 682291567 /nfs/dbraw/zinc/29/15/67/682291567.db2.gz YZAYHBYUNWLRGT-MRXNPFEDSA-N 1 1 353.806 2.424 20 5 FEBDMO COc1ccc(C[NH2+]Cc2cc(Br)nn2C)cc1[N+](=O)[O-] ZINC000785437091 682297258 /nfs/dbraw/zinc/29/72/58/682297258.db2.gz JMVKMTXMIRMZFO-UHFFFAOYSA-N 1 1 355.192 2.389 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000854954558 682614052 /nfs/dbraw/zinc/61/40/52/682614052.db2.gz FTCVDCNLOXGPSQ-VXGBXAGGSA-N 1 1 355.822 2.084 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000854954558 682614053 /nfs/dbraw/zinc/61/40/53/682614053.db2.gz FTCVDCNLOXGPSQ-VXGBXAGGSA-N 1 1 355.822 2.084 20 5 FEBDMO CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)c3csc([N+](=O)[O-])c3)C2)[C@@H]1C(C)C ZINC000926252937 683099214 /nfs/dbraw/zinc/09/92/14/683099214.db2.gz AFMDEVILAXQSRV-LNCBFAARSA-N 1 1 367.471 2.256 20 5 FEBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000919860014 683303863 /nfs/dbraw/zinc/30/38/63/683303863.db2.gz GJVQLNLGCSZWJI-NWDGAFQWSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000919860014 683303865 /nfs/dbraw/zinc/30/38/65/683303865.db2.gz GJVQLNLGCSZWJI-NWDGAFQWSA-N 1 1 359.835 2.105 20 5 FEBDMO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861172287 683363674 /nfs/dbraw/zinc/36/36/74/683363674.db2.gz TWVUUULLQLFWCA-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000861172287 683363683 /nfs/dbraw/zinc/36/36/83/683363683.db2.gz TWVUUULLQLFWCA-LLVKDONJSA-N 1 1 355.822 2.165 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000928075502 683369840 /nfs/dbraw/zinc/36/98/40/683369840.db2.gz DFHYSMVIJBISSX-YLFCFFPRSA-N 1 1 361.467 2.394 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928086427 683376497 /nfs/dbraw/zinc/37/64/97/683376497.db2.gz OJKVUVYHGOFVFA-JSGCOSHPSA-N 1 1 365.455 2.303 20 5 FEBDMO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928086427 683376504 /nfs/dbraw/zinc/37/65/04/683376504.db2.gz OJKVUVYHGOFVFA-JSGCOSHPSA-N 1 1 365.455 2.303 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000861276884 683380562 /nfs/dbraw/zinc/38/05/62/683380562.db2.gz ZEVNPRCFAQOKIT-UHFFFAOYSA-N 1 1 363.805 2.381 20 5 FEBDMO O=C(CCOc1ccccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928093758 683382449 /nfs/dbraw/zinc/38/24/49/683382449.db2.gz NNHJSTCXBSVQOR-ZFWWWQNUSA-N 1 1 365.455 2.060 20 5 FEBDMO CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000928096052 683386296 /nfs/dbraw/zinc/38/62/96/683386296.db2.gz LJWGKWHTPAJYSU-ZFWWWQNUSA-N 1 1 365.455 2.303 20 5 FEBDMO CCOc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000928096052 683386299 /nfs/dbraw/zinc/38/62/99/683386299.db2.gz LJWGKWHTPAJYSU-ZFWWWQNUSA-N 1 1 365.455 2.303 20 5 FEBDMO CCOc1ccc(C(=O)OC[C@]2(C)C[C@H](OC)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000861341332 683391413 /nfs/dbraw/zinc/39/14/13/683391413.db2.gz PLVQEIQNWUMQNA-GUYCJALGSA-N 1 1 352.387 2.260 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000928434152 683449924 /nfs/dbraw/zinc/44/99/24/683449924.db2.gz HMBSHPOGLRQQGT-NOZJJQNGSA-N 1 1 356.220 2.488 20 5 FEBDMO C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000928560519 683471653 /nfs/dbraw/zinc/47/16/53/683471653.db2.gz XHJRLKVELLGDOA-MRVPVSSYSA-N 1 1 362.611 2.445 20 5 FEBDMO C[N@H+]1CC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000928560519 683471656 /nfs/dbraw/zinc/47/16/56/683471656.db2.gz XHJRLKVELLGDOA-MRVPVSSYSA-N 1 1 362.611 2.445 20 5 FEBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000862113154 683531846 /nfs/dbraw/zinc/53/18/46/683531846.db2.gz GTWSORKLTLYLEP-UHFFFAOYSA-N 1 1 361.776 2.434 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000862793324 683634795 /nfs/dbraw/zinc/63/47/95/683634795.db2.gz MTNVIYPHPUEKBV-GFCCVEGCSA-N 1 1 352.410 2.262 20 5 FEBDMO O=C1CC[C@@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3Br)CC[C@H]2N1 ZINC000930995312 683815153 /nfs/dbraw/zinc/81/51/53/683815153.db2.gz ANLLNLHQIIVDPC-QMTHXVAHSA-N 1 1 368.231 2.458 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3Br)CC[C@H]2N1 ZINC000930995312 683815159 /nfs/dbraw/zinc/81/51/59/683815159.db2.gz ANLLNLHQIIVDPC-QMTHXVAHSA-N 1 1 368.231 2.458 20 5 FEBDMO C[C@H]1CC[N@@H+](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866271474 684087364 /nfs/dbraw/zinc/08/73/64/684087364.db2.gz LUDODQZBGSXOPQ-NSHDSACASA-N 1 1 370.247 2.358 20 5 FEBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000869784369 684655907 /nfs/dbraw/zinc/65/59/07/684655907.db2.gz JKMYTPXTPFPNMJ-LBPRGKRZSA-N 1 1 363.439 2.385 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000872661745 684999275 /nfs/dbraw/zinc/99/92/75/684999275.db2.gz BHHHHUDSARMZFY-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000872661745 684999277 /nfs/dbraw/zinc/99/92/77/684999277.db2.gz BHHHHUDSARMZFY-KGLIPLIRSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000872662239 684999923 /nfs/dbraw/zinc/99/99/23/684999923.db2.gz HAPVKSVRJBFFGF-KBPBESRZSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872666609 685001821 /nfs/dbraw/zinc/00/18/21/685001821.db2.gz XALRUJXODZLJHS-OLZOCXBDSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872666609 685001823 /nfs/dbraw/zinc/00/18/23/685001823.db2.gz XALRUJXODZLJHS-OLZOCXBDSA-N 1 1 373.862 2.414 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000876794056 686269853 /nfs/dbraw/zinc/26/98/53/686269853.db2.gz LGEPBKMSLYAETG-CYBMUJFWSA-N 1 1 353.423 2.160 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000876794056 686269856 /nfs/dbraw/zinc/26/98/56/686269856.db2.gz LGEPBKMSLYAETG-CYBMUJFWSA-N 1 1 353.423 2.160 20 5 FEBDMO O=[N+]([O-])c1cc(CN2CC[NH+](CCc3cnccn3)CC2)ccc1Cl ZINC000877703519 686441009 /nfs/dbraw/zinc/44/10/09/686441009.db2.gz MUKVHRKYKMNVHR-UHFFFAOYSA-N 1 1 361.833 2.399 20 5 FEBDMO C[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@@H+]1C ZINC000878315827 686563360 /nfs/dbraw/zinc/56/33/60/686563360.db2.gz COHFZKBNQWABMZ-SNVBAGLBSA-N 1 1 351.794 2.434 20 5 FEBDMO C[C@@H]1CN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC[N@H+]1C ZINC000878315827 686563367 /nfs/dbraw/zinc/56/33/67/686563367.db2.gz COHFZKBNQWABMZ-SNVBAGLBSA-N 1 1 351.794 2.434 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879575507 686860730 /nfs/dbraw/zinc/86/07/30/686860730.db2.gz LCHOTKKFNVWXCM-FZMZJTMJSA-N 1 1 352.822 2.213 20 5 FEBDMO COCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCOCC1 ZINC000879707877 686892067 /nfs/dbraw/zinc/89/20/67/686892067.db2.gz IAKHPNLJULGHDX-UHFFFAOYSA-N 1 1 354.403 2.110 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000880135184 687004327 /nfs/dbraw/zinc/00/43/27/687004327.db2.gz RITXYLZJGCISHP-GJZGRUSLSA-N 1 1 352.822 2.355 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000882275691 687340316 /nfs/dbraw/zinc/34/03/16/687340316.db2.gz ZNVYVMOLJNUKDE-AWEZNQCLSA-N 1 1 373.862 2.271 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000882539945 687389136 /nfs/dbraw/zinc/38/91/36/687389136.db2.gz GTTMLFAJQNRZSD-GFCCVEGCSA-N 1 1 353.394 2.432 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884949575 687971612 /nfs/dbraw/zinc/97/16/12/687971612.db2.gz GTLNJZVOMGSCPG-KBPBESRZSA-N 1 1 353.444 2.062 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000884951544 687972592 /nfs/dbraw/zinc/97/25/92/687972592.db2.gz FUBPLRLGNDKAEF-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000886798623 688314057 /nfs/dbraw/zinc/31/40/57/688314057.db2.gz DYVNCPWCMZYUAG-CQSZACIVSA-N 1 1 364.320 2.229 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000887933171 688522941 /nfs/dbraw/zinc/52/29/41/688522941.db2.gz GKLFRRYZLBYRBQ-PXAZEXFGSA-N 1 1 367.833 2.427 20 5 FEBDMO COc1c(O)ccc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1[N+](=O)[O-] ZINC000893535873 689363019 /nfs/dbraw/zinc/36/30/19/689363019.db2.gz QQNOJQBIYHDRRP-CYBMUJFWSA-N 1 1 352.387 2.284 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(C(F)(F)F)c1 ZINC000897218242 689989512 /nfs/dbraw/zinc/98/95/12/689989512.db2.gz BPFFYISQCWYHAQ-CHWSQXEVSA-N 1 1 360.336 2.044 20 5 FEBDMO COc1cc([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903091674 690842935 /nfs/dbraw/zinc/84/29/35/690842935.db2.gz YMYKTSJUCROPTR-CABCVRRESA-N 1 1 350.463 2.138 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)c1F ZINC000906442279 691269031 /nfs/dbraw/zinc/26/90/31/691269031.db2.gz ZEVRMNKYRJZKDA-CYBMUJFWSA-N 1 1 351.378 2.025 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000908503989 691690825 /nfs/dbraw/zinc/69/08/25/691690825.db2.gz RTXXSDKDDHRMOL-JTQLQIEISA-N 1 1 352.822 2.387 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(F)c1 ZINC001164865827 721073438 /nfs/dbraw/zinc/07/34/38/721073438.db2.gz AICZNBOWOJKWOE-HOTGVXAUSA-N 1 1 373.388 2.004 20 5 FEBDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928497 721857214 /nfs/dbraw/zinc/85/72/14/721857214.db2.gz NROMMKSTRACTFK-CHWSQXEVSA-N 1 1 353.854 2.166 20 5 FEBDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1[N+](=O)[O-] ZINC001164928497 721857215 /nfs/dbraw/zinc/85/72/15/721857215.db2.gz NROMMKSTRACTFK-CHWSQXEVSA-N 1 1 353.854 2.166 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nn1 ZINC001165042433 721920794 /nfs/dbraw/zinc/92/07/94/721920794.db2.gz DYMPLMANPJJGDG-HNNXBMFYSA-N 1 1 369.425 2.353 20 5 FEBDMO CNc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000029197464 539846193 /nfs/dbraw/zinc/84/61/93/539846193.db2.gz PPLWAHRAPVIZIQ-OAHLLOKOSA-N 1 1 364.446 2.113 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000032441181 539939532 /nfs/dbraw/zinc/93/95/32/539939532.db2.gz AXNHIQRLIYIYAY-STQMWFEESA-N 1 1 371.459 2.145 20 5 FEBDMO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@H+]1CCCC[C@@H]1C ZINC000032732901 539950130 /nfs/dbraw/zinc/95/01/30/539950130.db2.gz GWLQCMAXZSSDMS-STQMWFEESA-N 1 1 363.414 2.359 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000032927047 539959434 /nfs/dbraw/zinc/95/94/34/539959434.db2.gz CTWISNSQDNROGM-TXEJJXNPSA-N 1 1 355.822 2.477 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000038628642 539999615 /nfs/dbraw/zinc/99/96/15/539999615.db2.gz VFTYAXGZMKEKAV-INIZCTEOSA-N 1 1 363.439 2.484 20 5 FEBDMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000045262841 540208154 /nfs/dbraw/zinc/20/81/54/540208154.db2.gz BIEOTVURFDSOGS-AWEZNQCLSA-N 1 1 365.393 2.475 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000046879092 540274746 /nfs/dbraw/zinc/27/47/46/540274746.db2.gz NITNVJQTMLCXCW-ZDUSSCGKSA-N 1 1 365.430 2.464 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000051043259 540420223 /nfs/dbraw/zinc/42/02/23/540420223.db2.gz AZSLUSVQTFBUPR-UONOGXRCSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000051043259 540420225 /nfs/dbraw/zinc/42/02/25/540420225.db2.gz AZSLUSVQTFBUPR-UONOGXRCSA-N 1 1 362.430 2.160 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000535593123 540487232 /nfs/dbraw/zinc/48/72/32/540487232.db2.gz ZTBRNHRSFSCQDG-INIZCTEOSA-N 1 1 369.425 2.409 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174599 540573495 /nfs/dbraw/zinc/57/34/95/540573495.db2.gz ZKWXUSRDVHKZHE-UHFFFAOYSA-N 1 1 354.476 2.032 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2csc([N+](=O)[O-])c2)CC1 ZINC000054174599 540573497 /nfs/dbraw/zinc/57/34/97/540573497.db2.gz ZKWXUSRDVHKZHE-UHFFFAOYSA-N 1 1 354.476 2.032 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000055240507 540639275 /nfs/dbraw/zinc/63/92/75/540639275.db2.gz SJECJCAAXNQLJZ-RYUDHWBXSA-N 1 1 359.423 2.133 20 5 FEBDMO Cc1cc(CN2CC[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000055900353 540685091 /nfs/dbraw/zinc/68/50/91/540685091.db2.gz KHYDZMNEQBYWFP-UHFFFAOYSA-N 1 1 360.414 2.478 20 5 FEBDMO O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1[nH+]ccn1CC(F)(F)F ZINC000057742058 540812873 /nfs/dbraw/zinc/81/28/73/540812873.db2.gz ZKKGRQWQAZRZPN-UHFFFAOYSA-N 1 1 353.260 2.112 20 5 FEBDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000066675961 541358941 /nfs/dbraw/zinc/35/89/41/541358941.db2.gz XPVQVGFQJLSCFC-UHFFFAOYSA-N 1 1 371.441 2.162 20 5 FEBDMO CC(=O)NC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000067419448 541461536 /nfs/dbraw/zinc/46/15/36/541461536.db2.gz RVULXIDQLBUSIO-OAHLLOKOSA-N 1 1 362.430 2.080 20 5 FEBDMO CC(=O)NC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000067419441 541461667 /nfs/dbraw/zinc/46/16/67/541461667.db2.gz BKPDHZAYKWEMKB-HNNXBMFYSA-N 1 1 362.430 2.080 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000068305687 541574695 /nfs/dbraw/zinc/57/46/95/541574695.db2.gz ZDBBKRQHAWMABM-ZIAGYGMSSA-N 1 1 363.414 2.023 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000069554655 541696642 /nfs/dbraw/zinc/69/66/42/541696642.db2.gz ZNNSQCCCCMWZBZ-OAHLLOKOSA-N 1 1 374.441 2.447 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000072815581 541871741 /nfs/dbraw/zinc/87/17/41/541871741.db2.gz FRIWGVJNBHRIPY-SFHVURJKSA-N 1 1 369.425 2.183 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000072815581 541871744 /nfs/dbraw/zinc/87/17/44/541871744.db2.gz FRIWGVJNBHRIPY-SFHVURJKSA-N 1 1 369.425 2.183 20 5 FEBDMO CCOC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072977533 541901993 /nfs/dbraw/zinc/90/19/93/541901993.db2.gz DHNJUAAVHHEMIN-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000072977533 541901999 /nfs/dbraw/zinc/90/19/99/541901999.db2.gz DHNJUAAVHHEMIN-ZDUSSCGKSA-N 1 1 351.403 2.290 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073032693 541910605 /nfs/dbraw/zinc/91/06/05/541910605.db2.gz RBWFCGFTMHTXDI-SFHVURJKSA-N 1 1 354.410 2.313 20 5 FEBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073032693 541910608 /nfs/dbraw/zinc/91/06/08/541910608.db2.gz RBWFCGFTMHTXDI-SFHVURJKSA-N 1 1 354.410 2.313 20 5 FEBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000073305684 541941893 /nfs/dbraw/zinc/94/18/93/541941893.db2.gz WLHXSLHLYCLSCG-UHFFFAOYSA-N 1 1 356.382 2.276 20 5 FEBDMO CCOC(=O)c1ccnc(N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1[N+](=O)[O-] ZINC000074772710 542120442 /nfs/dbraw/zinc/12/04/42/542120442.db2.gz WNKZGHAFEFCLTR-AWEZNQCLSA-N 1 1 362.430 2.335 20 5 FEBDMO Cc1c(NC(=O)NCCCC[N@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000076331504 542261336 /nfs/dbraw/zinc/26/13/36/542261336.db2.gz CQZVETOJILLZOM-CQSZACIVSA-N 1 1 350.419 2.262 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000076479317 542283045 /nfs/dbraw/zinc/28/30/45/542283045.db2.gz BMVSWHCTVYKWQN-TZMCWYRMSA-N 1 1 365.430 2.414 20 5 FEBDMO Cc1c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000076639272 542303293 /nfs/dbraw/zinc/30/32/93/542303293.db2.gz NGMRLAFYGLMGEX-OAHLLOKOSA-N 1 1 374.441 2.222 20 5 FEBDMO CCN1CCC([N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000077249345 542359549 /nfs/dbraw/zinc/35/95/49/542359549.db2.gz UMXVIMRJAPFCRH-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000077451416 542383270 /nfs/dbraw/zinc/38/32/70/542383270.db2.gz UYXHMYRFWVTIHW-INIZCTEOSA-N 1 1 360.458 2.003 20 5 FEBDMO CN(CC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000081293947 542645656 /nfs/dbraw/zinc/64/56/56/542645656.db2.gz YDFKSFXJTILSOX-MRXNPFEDSA-N 1 1 360.458 2.412 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000089961940 542778962 /nfs/dbraw/zinc/77/89/62/542778962.db2.gz WPNLFAFDOPXAGE-QZTJIDSGSA-N 1 1 369.421 2.268 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000093001788 542900782 /nfs/dbraw/zinc/90/07/82/542900782.db2.gz NLYWUUBAKWSAFW-TZMCWYRMSA-N 1 1 373.450 2.393 20 5 FEBDMO COc1ccc(CSCC(=O)N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000097213299 543007609 /nfs/dbraw/zinc/00/76/09/543007609.db2.gz TURHYIMNSIVYEH-UHFFFAOYSA-N 1 1 353.444 2.001 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000098098376 543021058 /nfs/dbraw/zinc/02/10/58/543021058.db2.gz FWYUVLUMGDBCFQ-HNNXBMFYSA-N 1 1 357.414 2.031 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1cnn(C)c1 ZINC000103474449 543109819 /nfs/dbraw/zinc/10/98/19/543109819.db2.gz BIYQYMHIWCAPFX-UHFFFAOYSA-N 1 1 361.402 2.188 20 5 FEBDMO Cc1ccc(S(=O)(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000104733268 543140452 /nfs/dbraw/zinc/14/04/52/543140452.db2.gz SEGKNEZYTJSKGV-AWEZNQCLSA-N 1 1 355.460 2.446 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000109987662 543345890 /nfs/dbraw/zinc/34/58/90/543345890.db2.gz FHNNUZCXAQINJC-CYBMUJFWSA-N 1 1 372.425 2.287 20 5 FEBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCn1cccn1 ZINC000111279536 543392423 /nfs/dbraw/zinc/39/24/23/543392423.db2.gz HEHLVTLDMIPBRT-LLVKDONJSA-N 1 1 351.794 2.404 20 5 FEBDMO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCn1cccn1 ZINC000111279536 543392424 /nfs/dbraw/zinc/39/24/24/543392424.db2.gz HEHLVTLDMIPBRT-LLVKDONJSA-N 1 1 351.794 2.404 20 5 FEBDMO COCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000112355951 543443444 /nfs/dbraw/zinc/44/34/44/543443444.db2.gz WSQIPAAASQMVJL-LBPRGKRZSA-N 1 1 351.403 2.289 20 5 FEBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000112921382 543468745 /nfs/dbraw/zinc/46/87/45/543468745.db2.gz FPGZBNWYTRHWTM-UHFFFAOYSA-N 1 1 373.457 2.174 20 5 FEBDMO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000112921382 543468748 /nfs/dbraw/zinc/46/87/48/543468748.db2.gz FPGZBNWYTRHWTM-UHFFFAOYSA-N 1 1 373.457 2.174 20 5 FEBDMO COC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000112989174 543471210 /nfs/dbraw/zinc/47/12/10/543471210.db2.gz NMSRRPGRTMQIOC-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000113198866 543476669 /nfs/dbraw/zinc/47/66/69/543476669.db2.gz WINARWXCJPFDOL-HNNXBMFYSA-N 1 1 363.414 2.167 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000114062585 543503529 /nfs/dbraw/zinc/50/35/29/543503529.db2.gz JAXNYBRGLSBLSI-ZJUUUORDSA-N 1 1 357.794 2.316 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000115439339 543567265 /nfs/dbraw/zinc/56/72/65/543567265.db2.gz DAXAFSFTSLENQM-ZDUSSCGKSA-N 1 1 365.430 2.416 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000124703636 543838115 /nfs/dbraw/zinc/83/81/15/543838115.db2.gz SIYKVMAPYMZNEO-LLVKDONJSA-N 1 1 370.247 2.358 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000125764565 543899804 /nfs/dbraw/zinc/89/98/04/543899804.db2.gz AYCPUNVUCQNNFC-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1CCOC ZINC000131016775 544174013 /nfs/dbraw/zinc/17/40/13/544174013.db2.gz UHECDNZGIOTWGQ-AWEZNQCLSA-N 1 1 353.394 2.307 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC[N@H+]1CCOC ZINC000131016775 544174015 /nfs/dbraw/zinc/17/40/15/544174015.db2.gz UHECDNZGIOTWGQ-AWEZNQCLSA-N 1 1 353.394 2.307 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000131604409 544197906 /nfs/dbraw/zinc/19/79/06/544197906.db2.gz OMSRCZVJUVBKRO-ZDUSSCGKSA-N 1 1 367.471 2.283 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000131814181 544207635 /nfs/dbraw/zinc/20/76/35/544207635.db2.gz BNYKJHUUWVMWNU-AWEZNQCLSA-N 1 1 371.441 2.373 20 5 FEBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)[C@@H](CO)C(C)(C)C ZINC000134434995 544307844 /nfs/dbraw/zinc/30/78/44/544307844.db2.gz LYDHUYWJTKWZMV-HNNXBMFYSA-N 1 1 351.403 2.232 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000137175229 544386057 /nfs/dbraw/zinc/38/60/57/544386057.db2.gz LANZJOJLOAYTCQ-CJNGLKHVSA-N 1 1 362.430 2.229 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137502372 544391027 /nfs/dbraw/zinc/39/10/27/544391027.db2.gz CPHDPUYWFPKIOT-SWLSCSKDSA-N 1 1 357.414 2.030 20 5 FEBDMO C[N@@H+](CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1Cc2ccccc2C1 ZINC000141221463 544412079 /nfs/dbraw/zinc/41/20/79/544412079.db2.gz KFAACVKAQIRWPY-UHFFFAOYSA-N 1 1 369.377 2.361 20 5 FEBDMO Cc1cc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000151637453 544565252 /nfs/dbraw/zinc/56/52/52/544565252.db2.gz IRQOBJQMCKRPFR-CQSZACIVSA-N 1 1 366.849 2.299 20 5 FEBDMO COc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000153750345 544816900 /nfs/dbraw/zinc/81/69/00/544816900.db2.gz FYVANESHZHIGAR-AWEZNQCLSA-N 1 1 351.403 2.024 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000153750345 544816908 /nfs/dbraw/zinc/81/69/08/544816908.db2.gz FYVANESHZHIGAR-AWEZNQCLSA-N 1 1 351.403 2.024 20 5 FEBDMO Cc1cc(NC(=O)NCCCC[N@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000153848791 544831420 /nfs/dbraw/zinc/83/14/20/544831420.db2.gz CUPOFELTEZACAP-HNNXBMFYSA-N 1 1 350.419 2.262 20 5 FEBDMO CN1CCO[C@@H]2C[N@@H+](Cc3cc(=O)oc4ccc5ccccc5c34)C[C@@H]21 ZINC000154364685 544896402 /nfs/dbraw/zinc/89/64/02/544896402.db2.gz JUNFLMRZOIKUHH-PKOBYXMFSA-N 1 1 350.418 2.461 20 5 FEBDMO Cc1c(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000155192558 545000476 /nfs/dbraw/zinc/00/04/76/545000476.db2.gz UOYMCNAVWKVTSB-DOMZBBRYSA-N 1 1 362.386 2.368 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)Nc3ccncc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000183621854 327827070 /nfs/dbraw/zinc/82/70/70/327827070.db2.gz WTFRSOSXSFATIF-UHFFFAOYSA-N 1 1 356.386 2.484 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000184821310 327884500 /nfs/dbraw/zinc/88/45/00/327884500.db2.gz CRIYRLLBWRAWNA-NVXWUHKLSA-N 1 1 363.458 2.248 20 5 FEBDMO Cc1ccc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1Br ZINC000804447025 674287678 /nfs/dbraw/zinc/28/76/78/674287678.db2.gz VEUWIMBTJZLSIF-NSHDSACASA-N 1 1 357.252 2.323 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000187628030 328036653 /nfs/dbraw/zinc/03/66/53/328036653.db2.gz XAFVXYIZXUSSHW-KGLIPLIRSA-N 1 1 364.446 2.142 20 5 FEBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000188079744 328064495 /nfs/dbraw/zinc/06/44/95/328064495.db2.gz ZMZOTXQHFZVCAS-FQEVSTJZSA-N 1 1 369.421 2.304 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccco1 ZINC000188453544 328087814 /nfs/dbraw/zinc/08/78/14/328087814.db2.gz SNDMSZMSLZNDLH-INIZCTEOSA-N 1 1 374.397 2.263 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188825546 328112884 /nfs/dbraw/zinc/11/28/84/328112884.db2.gz HZIUQRHSGCBHCK-CYBMUJFWSA-N 1 1 350.419 2.212 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000189150923 328131528 /nfs/dbraw/zinc/13/15/28/328131528.db2.gz NQVMFRPRYYQSMP-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189654290 328160069 /nfs/dbraw/zinc/16/00/69/328160069.db2.gz WTBQJHDSPQKGGG-INIZCTEOSA-N 1 1 353.350 2.090 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000189654290 328160070 /nfs/dbraw/zinc/16/00/70/328160070.db2.gz WTBQJHDSPQKGGG-INIZCTEOSA-N 1 1 353.350 2.090 20 5 FEBDMO C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[N@H+]1CCO ZINC000190248366 328196439 /nfs/dbraw/zinc/19/64/39/328196439.db2.gz YSLOGYLIJINIQC-ZDUSSCGKSA-N 1 1 362.455 2.217 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000191987937 328291966 /nfs/dbraw/zinc/29/19/66/328291966.db2.gz YVZDVLXUWIZIEJ-UHFFFAOYSA-N 1 1 366.443 2.475 20 5 FEBDMO COc1ccccc1[C@@H](CNC(=O)COc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000022679041 324399739 /nfs/dbraw/zinc/39/97/39/324399739.db2.gz KGLWKIYCXMFEPA-MRXNPFEDSA-N 1 1 373.409 2.401 20 5 FEBDMO C[C@@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000055467587 324780007 /nfs/dbraw/zinc/78/00/07/324780007.db2.gz BOLZCEPWQSPCNJ-CQSZACIVSA-N 1 1 371.441 2.418 20 5 FEBDMO Nc1c(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000081293442 325168588 /nfs/dbraw/zinc/16/85/88/325168588.db2.gz LBHACNIKYDJODH-ZDUSSCGKSA-N 1 1 350.394 2.310 20 5 FEBDMO COc1ccc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000083027189 325210373 /nfs/dbraw/zinc/21/03/73/325210373.db2.gz LGDSVSVYXZWSQT-OKILXGFUSA-N 1 1 365.430 2.223 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000089154417 325305148 /nfs/dbraw/zinc/30/51/48/325305148.db2.gz NINWKMUSUKMGOZ-IRXDYDNUSA-N 1 1 363.414 2.112 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)co2)cc1 ZINC000089905657 325341469 /nfs/dbraw/zinc/34/14/69/325341469.db2.gz VCQOBTDHGCNRPO-OAHLLOKOSA-N 1 1 372.425 2.404 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)co2)cc1 ZINC000089905657 325341472 /nfs/dbraw/zinc/34/14/72/325341472.db2.gz VCQOBTDHGCNRPO-OAHLLOKOSA-N 1 1 372.425 2.404 20 5 FEBDMO O=C(NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000090465507 325360316 /nfs/dbraw/zinc/36/03/16/325360316.db2.gz JTUXNCJVYWHDLY-CHWSQXEVSA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000090465507 325360317 /nfs/dbraw/zinc/36/03/17/325360317.db2.gz JTUXNCJVYWHDLY-CHWSQXEVSA-N 1 1 353.806 2.231 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000090516361 325361630 /nfs/dbraw/zinc/36/16/30/325361630.db2.gz ORLCFZSPCCFZFW-QPJJXVBHSA-N 1 1 368.437 2.088 20 5 FEBDMO CCN(C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1)S(C)(=O)=O ZINC000093320621 325442759 /nfs/dbraw/zinc/44/27/59/325442759.db2.gz DBOCAOYSZYWYIV-UHFFFAOYSA-N 1 1 355.460 2.149 20 5 FEBDMO O=[N+]([O-])c1ccccc1CS(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000107373822 325626661 /nfs/dbraw/zinc/62/66/61/325626661.db2.gz FIRAPIGYGSQHRD-UHFFFAOYSA-N 1 1 367.471 2.375 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000119468689 326166114 /nfs/dbraw/zinc/16/61/14/326166114.db2.gz LJDIRKYIRBSVET-SNVBAGLBSA-N 1 1 356.220 2.429 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000119629346 326182138 /nfs/dbraw/zinc/18/21/38/326182138.db2.gz OHIPJNLTGKSZHM-ZDUSSCGKSA-N 1 1 365.430 2.320 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000119705985 326190083 /nfs/dbraw/zinc/19/00/83/326190083.db2.gz CHKFJUNBZOJWPC-CZUORRHYSA-N 1 1 362.430 2.030 20 5 FEBDMO Cn1cc(Cl)cc1C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000120209413 326241036 /nfs/dbraw/zinc/24/10/36/326241036.db2.gz RDZDUUKRJLWSEF-OAHLLOKOSA-N 1 1 353.806 2.458 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000120328897 326250106 /nfs/dbraw/zinc/25/01/06/326250106.db2.gz KCLOKRRGCZJKRS-GFCCVEGCSA-N 1 1 350.419 2.301 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000121491026 326342584 /nfs/dbraw/zinc/34/25/84/326342584.db2.gz NBIYJBZDGFPCKL-AWEZNQCLSA-N 1 1 362.430 2.141 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCc1ccncc1 ZINC000121555578 326347743 /nfs/dbraw/zinc/34/77/43/326347743.db2.gz GXTSNAQFURGASS-CYBMUJFWSA-N 1 1 358.398 2.500 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCc1ccncc1 ZINC000121555578 326347745 /nfs/dbraw/zinc/34/77/45/326347745.db2.gz GXTSNAQFURGASS-CYBMUJFWSA-N 1 1 358.398 2.500 20 5 FEBDMO C[NH+](C)CCN(c1ccccc1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000130935399 326565960 /nfs/dbraw/zinc/56/59/60/326565960.db2.gz IYMCUFZWQQERGV-UHFFFAOYSA-N 1 1 367.402 2.491 20 5 FEBDMO NC(=O)CC[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000170733468 327095881 /nfs/dbraw/zinc/09/58/81/327095881.db2.gz MXXLPKGDDPHLDA-GFCCVEGCSA-N 1 1 359.386 2.122 20 5 FEBDMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000170733468 327095883 /nfs/dbraw/zinc/09/58/83/327095883.db2.gz MXXLPKGDDPHLDA-GFCCVEGCSA-N 1 1 359.386 2.122 20 5 FEBDMO C[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2)(N2CCCCC2)CC1 ZINC000172752613 327216917 /nfs/dbraw/zinc/21/69/17/327216917.db2.gz YPXXPPJRBQGTEB-UHFFFAOYSA-N 1 1 360.458 2.275 20 5 FEBDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000172831264 327221208 /nfs/dbraw/zinc/22/12/08/327221208.db2.gz PBKVKQKUJJPEJZ-ZDUSSCGKSA-N 1 1 372.425 2.383 20 5 FEBDMO Cc1nn(CCC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(C)c1[N+](=O)[O-] ZINC000173263036 327244790 /nfs/dbraw/zinc/24/47/90/327244790.db2.gz VBKLUZDOGPKLOT-INIZCTEOSA-N 1 1 363.462 2.179 20 5 FEBDMO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173474447 327259890 /nfs/dbraw/zinc/25/98/90/327259890.db2.gz HZVSANBWSAYJDT-GJZGRUSLSA-N 1 1 363.462 2.369 20 5 FEBDMO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173474447 327259892 /nfs/dbraw/zinc/25/98/92/327259892.db2.gz HZVSANBWSAYJDT-GJZGRUSLSA-N 1 1 363.462 2.369 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000173590899 327269486 /nfs/dbraw/zinc/26/94/86/327269486.db2.gz PYXLCYUSCKGPCB-AWEZNQCLSA-N 1 1 365.430 2.220 20 5 FEBDMO Cc1nn(C)c(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000173710547 327278888 /nfs/dbraw/zinc/27/88/88/327278888.db2.gz ZTRSAZIRSWNURJ-MRXNPFEDSA-N 1 1 371.441 2.373 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173920589 327294565 /nfs/dbraw/zinc/29/45/65/327294565.db2.gz AVZWNCZAEPXFPX-UONOGXRCSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000174248645 327315364 /nfs/dbraw/zinc/31/53/64/327315364.db2.gz POWMTIMEZICGAF-YHWZYXNKSA-N 1 1 363.414 2.357 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@@H+]1C[C@@H](C)O ZINC000174646498 327341107 /nfs/dbraw/zinc/34/11/07/327341107.db2.gz LURUJBAERPQCKK-BXUZGUMPSA-N 1 1 355.822 2.165 20 5 FEBDMO CC[C@@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC[N@H+]1C[C@@H](C)O ZINC000174646498 327341108 /nfs/dbraw/zinc/34/11/08/327341108.db2.gz LURUJBAERPQCKK-BXUZGUMPSA-N 1 1 355.822 2.165 20 5 FEBDMO COc1ccccc1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1 ZINC000174863394 327355993 /nfs/dbraw/zinc/35/59/93/327355993.db2.gz NYSPSHOMGAIVSI-QGZVFWFLSA-N 1 1 360.414 2.481 20 5 FEBDMO COc1ccccc1C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCCO1 ZINC000174863394 327355995 /nfs/dbraw/zinc/35/59/95/327355995.db2.gz NYSPSHOMGAIVSI-QGZVFWFLSA-N 1 1 360.414 2.481 20 5 FEBDMO C[C@@H](CCNc1ncc([N+](=O)[O-])cc1C(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000175161482 327377511 /nfs/dbraw/zinc/37/75/11/327377511.db2.gz CGWGVXUDIOBUOB-ZDUSSCGKSA-N 1 1 357.414 2.411 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000175167510 327377791 /nfs/dbraw/zinc/37/77/91/327377791.db2.gz ABTBQQJKPKDQLX-MRXNPFEDSA-N 1 1 357.414 2.076 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC000175170985 327378181 /nfs/dbraw/zinc/37/81/81/327378181.db2.gz SDWHPMUURSUMMK-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000175399787 327390733 /nfs/dbraw/zinc/39/07/33/327390733.db2.gz FGONNUVPFYWYBY-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCSCC2)cc1SC ZINC000264801934 329062535 /nfs/dbraw/zinc/06/25/35/329062535.db2.gz NDFBVWVSSONVSR-UHFFFAOYSA-N 1 1 371.484 2.104 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000264909443 329073513 /nfs/dbraw/zinc/07/35/13/329073513.db2.gz DYFPXNFRQUPRMZ-HIFRSBDPSA-N 1 1 362.430 2.101 20 5 FEBDMO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[NH+](C2CCC2)CC1 ZINC000264937907 329076342 /nfs/dbraw/zinc/07/63/42/329076342.db2.gz GJLKHGPZYKBIIH-UHFFFAOYSA-N 1 1 355.398 2.091 20 5 FEBDMO COC(=O)[C@H]1CC12CC[NH+]([C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000265012787 329083166 /nfs/dbraw/zinc/08/31/66/329083166.db2.gz FYLVZKQAMVZVSU-IUODEOHRSA-N 1 1 361.398 2.197 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000265294710 329111562 /nfs/dbraw/zinc/11/15/62/329111562.db2.gz NGEPJGIIRBAJKD-HOTGVXAUSA-N 1 1 356.382 2.205 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000265996218 329180021 /nfs/dbraw/zinc/18/00/21/329180021.db2.gz NNOGVCYCESXVGK-GXTWGEPZSA-N 1 1 365.430 2.414 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000266951866 329276097 /nfs/dbraw/zinc/27/60/97/329276097.db2.gz WEPPCCGQBOHKBJ-UHFFFAOYSA-N 1 1 366.418 2.178 20 5 FEBDMO COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267068661 329288678 /nfs/dbraw/zinc/28/86/78/329288678.db2.gz VHSBLCCSNCRHKI-OCCSQVGLSA-N 1 1 353.394 2.097 20 5 FEBDMO COC(=O)[C@@]1(F)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000267729277 329352926 /nfs/dbraw/zinc/35/29/26/329352926.db2.gz BEWDQMRPNCIJKY-QGZVFWFLSA-N 1 1 363.345 2.379 20 5 FEBDMO COC(=O)[C@@]1(F)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000267729277 329352927 /nfs/dbraw/zinc/35/29/27/329352927.db2.gz BEWDQMRPNCIJKY-QGZVFWFLSA-N 1 1 363.345 2.379 20 5 FEBDMO CCCNC(=O)C[NH+]1CCC(Nc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000270550573 329609505 /nfs/dbraw/zinc/60/95/05/329609505.db2.gz HFDMPCCKIREWLK-UHFFFAOYSA-N 1 1 368.409 2.145 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271711395 329717662 /nfs/dbraw/zinc/71/76/62/329717662.db2.gz JQFKICOJQPPKCK-AWEZNQCLSA-N 1 1 350.419 2.020 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1C ZINC000273809945 329893808 /nfs/dbraw/zinc/89/38/08/329893808.db2.gz AOVXYLFDKLULQY-UHFFFAOYSA-N 1 1 363.393 2.127 20 5 FEBDMO C[C@H]1CN(C(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CC(C)(C)O ZINC000275530323 330060300 /nfs/dbraw/zinc/06/03/00/330060300.db2.gz FQGIZTSLVSSOKO-AWEZNQCLSA-N 1 1 363.458 2.176 20 5 FEBDMO C[C@H](NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C1=CC[N@@H+](C)CC1 ZINC000276317629 330140018 /nfs/dbraw/zinc/14/00/18/330140018.db2.gz PMCAZGDPDWFRKX-ZDUSSCGKSA-N 1 1 360.414 2.018 20 5 FEBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276325196 330141047 /nfs/dbraw/zinc/14/10/47/330141047.db2.gz PRESACZEIQIKQB-CYBMUJFWSA-N 1 1 359.423 2.028 20 5 FEBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276325196 330141048 /nfs/dbraw/zinc/14/10/48/330141048.db2.gz PRESACZEIQIKQB-CYBMUJFWSA-N 1 1 359.423 2.028 20 5 FEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000276461848 330154572 /nfs/dbraw/zinc/15/45/72/330154572.db2.gz WUYVSAXXNVVUIU-XHDPSFHLSA-N 1 1 350.371 2.092 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000276461848 330154574 /nfs/dbraw/zinc/15/45/74/330154574.db2.gz WUYVSAXXNVVUIU-XHDPSFHLSA-N 1 1 350.371 2.092 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000361405633 330202440 /nfs/dbraw/zinc/20/24/40/330202440.db2.gz RAMCYWBDMTXVCP-AWEZNQCLSA-N 1 1 357.414 2.140 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000361405633 330202442 /nfs/dbraw/zinc/20/24/42/330202442.db2.gz RAMCYWBDMTXVCP-AWEZNQCLSA-N 1 1 357.414 2.140 20 5 FEBDMO O=C(NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000367108847 330217887 /nfs/dbraw/zinc/21/78/87/330217887.db2.gz GQXNOKXMGJBNDE-STQMWFEESA-N 1 1 353.806 2.231 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCCC[C@H]2CO1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000367108847 330217888 /nfs/dbraw/zinc/21/78/88/330217888.db2.gz GQXNOKXMGJBNDE-STQMWFEESA-N 1 1 353.806 2.231 20 5 FEBDMO Cn1cc([C@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c2ccccc21 ZINC000377929943 330252658 /nfs/dbraw/zinc/25/26/58/330252658.db2.gz BBCVCFHXFMVRBD-HOCLYGCPSA-N 1 1 369.425 2.133 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)[C@@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000426240202 330271518 /nfs/dbraw/zinc/27/15/18/330271518.db2.gz VJJLXPLFNIHZKL-SGIREYDYSA-N 1 1 351.403 2.166 20 5 FEBDMO O=C(CC[N@H+]1CCCN(CC(F)(F)F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000155877897 545579133 /nfs/dbraw/zinc/57/91/33/545579133.db2.gz PKSQBEVZNQBZJV-UHFFFAOYSA-N 1 1 374.363 2.493 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000478401568 561165930 /nfs/dbraw/zinc/16/59/30/561165930.db2.gz RBCSEPVZKCLPPJ-ROUUACIJSA-N 1 1 355.394 2.188 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000159801539 545981428 /nfs/dbraw/zinc/98/14/28/545981428.db2.gz CNEUTTJKWHGEHS-MRXNPFEDSA-N 1 1 371.393 2.365 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000176183408 546417595 /nfs/dbraw/zinc/41/75/95/546417595.db2.gz DUUBKWQFYHCVPG-HOCLYGCPSA-N 1 1 364.446 2.374 20 5 FEBDMO CCOc1ccc(C[NH+]2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000176200241 546418753 /nfs/dbraw/zinc/41/87/53/546418753.db2.gz RLDILTJTFLRLFK-UHFFFAOYSA-N 1 1 359.430 2.008 20 5 FEBDMO Cc1c(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000481472513 561233480 /nfs/dbraw/zinc/23/34/80/561233480.db2.gz DBXMXWNJFNFVMF-LJQANCHMSA-N 1 1 369.421 2.420 20 5 FEBDMO Cc1c(CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1[N+](=O)[O-] ZINC000481472513 561233481 /nfs/dbraw/zinc/23/34/81/561233481.db2.gz DBXMXWNJFNFVMF-LJQANCHMSA-N 1 1 369.421 2.420 20 5 FEBDMO COc1cc(C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)c([N+](=O)[O-])cc1F ZINC000481587547 561236694 /nfs/dbraw/zinc/23/66/94/561236694.db2.gz LEFKDIVPBXGDPG-LLVKDONJSA-N 1 1 353.394 2.479 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000481612346 561237228 /nfs/dbraw/zinc/23/72/28/561237228.db2.gz GVGSFJNTCXPCPP-LBPRGKRZSA-N 1 1 373.413 2.381 20 5 FEBDMO CCOC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000481772425 561241548 /nfs/dbraw/zinc/24/15/48/561241548.db2.gz YCLDVUDBAHXSPI-UHFFFAOYSA-N 1 1 365.430 2.459 20 5 FEBDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000180200154 547067151 /nfs/dbraw/zinc/06/71/51/547067151.db2.gz VZYUHTNTCBHCBD-UHFFFAOYSA-N 1 1 357.410 2.467 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000180518015 547122860 /nfs/dbraw/zinc/12/28/60/547122860.db2.gz VYFAESOWQGFXIB-BETUJISGSA-N 1 1 363.414 2.421 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)CCC[C@@H]1CO ZINC000181404508 547309119 /nfs/dbraw/zinc/30/91/19/547309119.db2.gz QPTVGADVVYFRRM-TZMCWYRMSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182876655 547564660 /nfs/dbraw/zinc/56/46/60/547564660.db2.gz WGHMOKOMRKWMOM-SJCJKPOMSA-N 1 1 371.397 2.045 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182961770 547580491 /nfs/dbraw/zinc/58/04/91/547580491.db2.gz JLEAGDCZSAOKDF-NEPJUHHUSA-N 1 1 359.423 2.146 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1csc([N+](=O)[O-])c1 ZINC000183404491 547651824 /nfs/dbraw/zinc/65/18/24/547651824.db2.gz MCPLBCWZHZAJDS-HNNXBMFYSA-N 1 1 361.423 2.153 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000183444577 547660242 /nfs/dbraw/zinc/66/02/42/547660242.db2.gz WLVOKPCYJBKACQ-GOSISDBHSA-N 1 1 355.394 2.091 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000484443736 561297986 /nfs/dbraw/zinc/29/79/86/561297986.db2.gz SNLXHFZVHUKLOT-AWEZNQCLSA-N 1 1 350.419 2.277 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000184370465 547814939 /nfs/dbraw/zinc/81/49/39/547814939.db2.gz BOUAMNGESNFUQS-GFCCVEGCSA-N 1 1 354.838 2.004 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)C1 ZINC000485011720 561310350 /nfs/dbraw/zinc/31/03/50/561310350.db2.gz BEWSZCUDFKZBPN-ZDUSSCGKSA-N 1 1 358.402 2.057 20 5 FEBDMO C[N@@H+](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCSC1 ZINC000485439482 561319302 /nfs/dbraw/zinc/31/93/02/561319302.db2.gz NVDLNWFYSGQZSC-MRXNPFEDSA-N 1 1 351.472 2.471 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185418158 547981448 /nfs/dbraw/zinc/98/14/48/547981448.db2.gz AFZJNCROXYIJNO-AWEZNQCLSA-N 1 1 367.421 2.407 20 5 FEBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000186034466 548075837 /nfs/dbraw/zinc/07/58/37/548075837.db2.gz KMWLKPRVVOUNFW-CQSZACIVSA-N 1 1 363.439 2.394 20 5 FEBDMO CC[C@H](NC(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000186396432 548129099 /nfs/dbraw/zinc/12/90/99/548129099.db2.gz NXZMEARWNJLAIK-CPUCHLNUSA-N 1 1 364.446 2.142 20 5 FEBDMO O=C(CC[N@@H+]1CCO[C@H](COCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000485907390 561332070 /nfs/dbraw/zinc/33/20/70/561332070.db2.gz MLYGXRIONQTEBJ-KRWDZBQOSA-N 1 1 363.414 2.051 20 5 FEBDMO O=C(CC[N@H+]1CCO[C@H](COCC2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000485907390 561332071 /nfs/dbraw/zinc/33/20/71/561332071.db2.gz MLYGXRIONQTEBJ-KRWDZBQOSA-N 1 1 363.414 2.051 20 5 FEBDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000193781854 548397026 /nfs/dbraw/zinc/39/70/26/548397026.db2.gz WKMHFQIPRUFPSB-CYBMUJFWSA-N 1 1 350.419 2.135 20 5 FEBDMO CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000193997172 548419003 /nfs/dbraw/zinc/41/90/03/548419003.db2.gz SHQNXZDREGGXIF-CVEARBPZSA-N 1 1 365.386 2.255 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000487163932 561365208 /nfs/dbraw/zinc/36/52/08/561365208.db2.gz WXMLDPYNDBAZTN-UONOGXRCSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000487163932 561365209 /nfs/dbraw/zinc/36/52/09/561365209.db2.gz WXMLDPYNDBAZTN-UONOGXRCSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000487163930 561365281 /nfs/dbraw/zinc/36/52/81/561365281.db2.gz WXMLDPYNDBAZTN-KGLIPLIRSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000487163930 561365282 /nfs/dbraw/zinc/36/52/82/561365282.db2.gz WXMLDPYNDBAZTN-KGLIPLIRSA-N 1 1 353.444 2.156 20 5 FEBDMO O=[N+]([O-])c1cncc(Br)c1NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000227537455 548752184 /nfs/dbraw/zinc/75/21/84/548752184.db2.gz HOXQGZRYBXRNLX-ZJUUUORDSA-N 1 1 357.208 2.027 20 5 FEBDMO Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000245447679 548924250 /nfs/dbraw/zinc/92/42/50/548924250.db2.gz MHUNFQXDKMMYRM-WBVHZDCISA-N 1 1 372.425 2.224 20 5 FEBDMO CC(C)[C@@H]1CN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[N@H+]1C ZINC000487957383 561379840 /nfs/dbraw/zinc/37/98/40/561379840.db2.gz XEGVIFFWPUYOAU-INIZCTEOSA-N 1 1 362.430 2.165 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245526217 548939267 /nfs/dbraw/zinc/93/92/67/548939267.db2.gz AJVQJEFOUYJTMD-XJKSGUPXSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245603024 548955940 /nfs/dbraw/zinc/95/59/40/548955940.db2.gz WWVFVLGJCJAIDP-STQMWFEESA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000245603024 548955944 /nfs/dbraw/zinc/95/59/44/548955944.db2.gz WWVFVLGJCJAIDP-STQMWFEESA-N 1 1 350.419 2.130 20 5 FEBDMO CCCC[N@@H+](C)CCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000488146314 561384371 /nfs/dbraw/zinc/38/43/71/561384371.db2.gz ISMOGPOFRDQFQF-UHFFFAOYSA-N 1 1 364.446 2.211 20 5 FEBDMO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246134846 549060426 /nfs/dbraw/zinc/06/04/26/549060426.db2.gz JUDSEWKKHGPAED-HUUCEWRRSA-N 1 1 361.446 2.123 20 5 FEBDMO C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246134846 549060431 /nfs/dbraw/zinc/06/04/31/549060431.db2.gz JUDSEWKKHGPAED-HUUCEWRRSA-N 1 1 361.446 2.123 20 5 FEBDMO C[C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1 ZINC000246253230 549089475 /nfs/dbraw/zinc/08/94/75/549089475.db2.gz KCOJQWGSBZXUEE-LSDHHAIUSA-N 1 1 369.487 2.177 20 5 FEBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000246881025 549233599 /nfs/dbraw/zinc/23/35/99/549233599.db2.gz WOJZADUSWAXTLB-KBPBESRZSA-N 1 1 363.458 2.419 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000246881025 549233601 /nfs/dbraw/zinc/23/36/01/549233601.db2.gz WOJZADUSWAXTLB-KBPBESRZSA-N 1 1 363.458 2.419 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000246937468 549246932 /nfs/dbraw/zinc/24/69/32/549246932.db2.gz XIHKBYNPKMWYFW-MAUKXSAKSA-N 1 1 363.458 2.391 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000247129083 549289426 /nfs/dbraw/zinc/28/94/26/549289426.db2.gz NLLQNAVSYUPBRH-KBXCAEBGSA-N 1 1 369.425 2.337 20 5 FEBDMO CC[C@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000249571001 549605475 /nfs/dbraw/zinc/60/54/75/549605475.db2.gz OGOHXCYOHPNHDD-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000249571001 549605480 /nfs/dbraw/zinc/60/54/80/549605480.db2.gz OGOHXCYOHPNHDD-ACJLOTCBSA-N 1 1 365.430 2.415 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249627725 549612555 /nfs/dbraw/zinc/61/25/55/549612555.db2.gz QPRGCFQFURTXBC-KBPBESRZSA-N 1 1 355.460 2.315 20 5 FEBDMO COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261622846 549735770 /nfs/dbraw/zinc/73/57/70/549735770.db2.gz AJINPEBMMDIDRP-QGZVFWFLSA-N 1 1 355.394 2.319 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000490543296 561434854 /nfs/dbraw/zinc/43/48/54/561434854.db2.gz ZWRUIRGJNZWKOG-SFHVURJKSA-N 1 1 357.414 2.113 20 5 FEBDMO CCOC(=O)CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000490654514 561436842 /nfs/dbraw/zinc/43/68/42/561436842.db2.gz YIUMSRVFJDNAIW-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000268261509 550041938 /nfs/dbraw/zinc/04/19/38/550041938.db2.gz ZIWOAMYIMKISSM-CXAGYDPISA-N 1 1 358.442 2.408 20 5 FEBDMO COc1cc(C[NH2+]C[C@H](O)C(F)(F)F)c([N+](=O)[O-])cc1OCC(F)F ZINC000492212053 561450186 /nfs/dbraw/zinc/45/01/86/561450186.db2.gz XKVFZQPIQGVDJD-NSHDSACASA-N 1 1 374.262 2.260 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000269666073 550215254 /nfs/dbraw/zinc/21/52/54/550215254.db2.gz JLEGGPSEQZZORW-DZGCQCFKSA-N 1 1 364.446 2.475 20 5 FEBDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270603897 550288682 /nfs/dbraw/zinc/28/86/82/550288682.db2.gz XHDIFPOJYNLEGH-QGZVFWFLSA-N 1 1 367.409 2.480 20 5 FEBDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270603897 550288683 /nfs/dbraw/zinc/28/86/83/550288683.db2.gz XHDIFPOJYNLEGH-QGZVFWFLSA-N 1 1 367.409 2.480 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000270619755 550289853 /nfs/dbraw/zinc/28/98/53/550289853.db2.gz HNVWUBWHHWUETL-CQSZACIVSA-N 1 1 360.414 2.043 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270912044 550320137 /nfs/dbraw/zinc/32/01/37/550320137.db2.gz OAWWTVQVLSVLID-IUODEOHRSA-N 1 1 371.397 2.403 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270912044 550320140 /nfs/dbraw/zinc/32/01/40/550320140.db2.gz OAWWTVQVLSVLID-IUODEOHRSA-N 1 1 371.397 2.403 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3nn(C)cc3[N+](=O)[O-])cc2)C1 ZINC000271107046 550340986 /nfs/dbraw/zinc/34/09/86/550340986.db2.gz LMUSKNWPTJXPSL-CQSZACIVSA-N 1 1 371.441 2.490 20 5 FEBDMO CC[C@H]1C[N@@H+](Cc2cc(OC)c(OCC(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000272252721 550431780 /nfs/dbraw/zinc/43/17/80/550431780.db2.gz CEWIQPLRMUUPEP-GWCFXTLKSA-N 1 1 360.357 2.450 20 5 FEBDMO O=[N+]([O-])c1ccc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2nonc21 ZINC000273045682 550482226 /nfs/dbraw/zinc/48/22/26/550482226.db2.gz ARRHNKAHLXCFOH-AWEZNQCLSA-N 1 1 369.381 2.310 20 5 FEBDMO CC[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000273500590 550500733 /nfs/dbraw/zinc/50/07/33/550500733.db2.gz OBYTUKDSMFISOE-HNNXBMFYSA-N 1 1 369.425 2.190 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+]([C@@H]4CCCC[C@H]4O)CC3)nc2c1 ZINC000274871132 550561246 /nfs/dbraw/zinc/56/12/46/550561246.db2.gz XFJVKQCTJKFODA-IAGOWNOFSA-N 1 1 359.430 2.287 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000276767607 550593617 /nfs/dbraw/zinc/59/36/17/550593617.db2.gz HVRYASHYSFJWPV-QGZVFWFLSA-N 1 1 369.425 2.192 20 5 FEBDMO CCOc1cc(C[NH+]2CCC(N3CCCNC3=O)CC2)ccc1[N+](=O)[O-] ZINC000276987925 550618760 /nfs/dbraw/zinc/61/87/60/550618760.db2.gz ZNVNCXRBVLPSBB-UHFFFAOYSA-N 1 1 362.430 2.373 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc([N+](=O)[O-])c1OC ZINC000277630185 550694203 /nfs/dbraw/zinc/69/42/03/550694203.db2.gz XCOAFOSQGIGHNV-CQSZACIVSA-N 1 1 363.414 2.359 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277955738 550732867 /nfs/dbraw/zinc/73/28/67/550732867.db2.gz TTWFQMHGFWNCKK-LBPRGKRZSA-N 1 1 360.418 2.002 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1[N+](=O)[O-] ZINC000278594720 550802294 /nfs/dbraw/zinc/80/22/94/550802294.db2.gz IPMMDPKKJWDEGO-UHFFFAOYSA-N 1 1 359.386 2.024 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278786367 550821960 /nfs/dbraw/zinc/82/19/60/550821960.db2.gz YOSPEPJAODSIPL-OAHLLOKOSA-N 1 1 363.458 2.490 20 5 FEBDMO C[C@H]1CC[C@](CO)([N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)C1 ZINC000495251541 561485624 /nfs/dbraw/zinc/48/56/24/561485624.db2.gz WKCZGMUXPRNYPS-UGSOOPFHSA-N 1 1 363.414 2.376 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000279510479 550898306 /nfs/dbraw/zinc/89/83/06/550898306.db2.gz UHFULMJGAREVSF-BXUZGUMPSA-N 1 1 352.410 2.212 20 5 FEBDMO C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280264680 550975314 /nfs/dbraw/zinc/97/53/14/550975314.db2.gz MCDHJXMZQVIHEQ-LIRRHRJNSA-N 1 1 372.425 2.375 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@]2(CCOC2)O1 ZINC000280264680 550975315 /nfs/dbraw/zinc/97/53/15/550975315.db2.gz MCDHJXMZQVIHEQ-LIRRHRJNSA-N 1 1 372.425 2.375 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000281034838 551056899 /nfs/dbraw/zinc/05/68/99/551056899.db2.gz URDOHQLDUKKXBM-AWEZNQCLSA-N 1 1 356.382 2.463 20 5 FEBDMO CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1c1ccccc1 ZINC000497360709 561499293 /nfs/dbraw/zinc/49/92/93/561499293.db2.gz GJHSNDMXSNYVKZ-WMZOPIPTSA-N 1 1 372.425 2.125 20 5 FEBDMO CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])n2C)[C@@H]1c1ccccc1 ZINC000497360709 561499294 /nfs/dbraw/zinc/49/92/94/561499294.db2.gz GJHSNDMXSNYVKZ-WMZOPIPTSA-N 1 1 372.425 2.125 20 5 FEBDMO COC(=O)[C@]1(C)C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000282250369 551201559 /nfs/dbraw/zinc/20/15/59/551201559.db2.gz CAAPBVHYPPQNDK-FZKQIMNGSA-N 1 1 363.414 2.363 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@H]2C1 ZINC000284836852 551647044 /nfs/dbraw/zinc/64/70/44/551647044.db2.gz NFCODTQVTLHHQM-IRXDYDNUSA-N 1 1 358.398 2.155 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000498583122 561529582 /nfs/dbraw/zinc/52/95/82/561529582.db2.gz IYGKSFLCRFOOCL-CHWSQXEVSA-N 1 1 363.414 2.326 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285324508 551738434 /nfs/dbraw/zinc/73/84/34/551738434.db2.gz NJNBGWZWIGBJDH-SFHVURJKSA-N 1 1 363.414 2.113 20 5 FEBDMO Cc1noc(C)c1C(C)(C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000285795685 551811930 /nfs/dbraw/zinc/81/19/30/551811930.db2.gz UYFNJYIHPBAWIK-UHFFFAOYSA-N 1 1 367.427 2.498 20 5 FEBDMO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC000286287490 551870023 /nfs/dbraw/zinc/87/00/23/551870023.db2.gz WTUNIERYVNWYSY-KRWDZBQOSA-N 1 1 359.382 2.342 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287224042 551977998 /nfs/dbraw/zinc/97/79/98/551977998.db2.gz FQLUKKHBQDVSJD-OAHLLOKOSA-N 1 1 374.441 2.176 20 5 FEBDMO CC[C@H](C)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(=O)OC ZINC000499785228 561558339 /nfs/dbraw/zinc/55/83/39/561558339.db2.gz IBEXTNGAMJQYDX-LBPRGKRZSA-N 1 1 365.386 2.166 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000500118114 561566300 /nfs/dbraw/zinc/56/63/00/561566300.db2.gz CTXPXYDXSOCFER-NEPJUHHUSA-N 1 1 351.403 2.167 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1(C)C ZINC000289618728 552350739 /nfs/dbraw/zinc/35/07/39/552350739.db2.gz JPRBLZSJFLBWJH-UHFFFAOYSA-N 1 1 369.853 2.396 20 5 FEBDMO Cc1ccc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000289658020 552357327 /nfs/dbraw/zinc/35/73/27/552357327.db2.gz YLBSWIKDSMMXEC-HNNXBMFYSA-N 1 1 355.460 2.007 20 5 FEBDMO O=C(NCCC[NH+]1CCCC1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000289791382 552379434 /nfs/dbraw/zinc/37/94/34/552379434.db2.gz LXMROOODEYEJNL-UHFFFAOYSA-N 1 1 374.485 2.409 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290514312 552491094 /nfs/dbraw/zinc/49/10/94/552491094.db2.gz AYFOABAXOGXAHA-SWLSCSKDSA-N 1 1 355.398 2.021 20 5 FEBDMO CCN1CC[NH+]([C@@H]2CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)CC1 ZINC000291957233 552678646 /nfs/dbraw/zinc/67/86/46/552678646.db2.gz NWCWCIUWQUWQRY-OAHLLOKOSA-N 1 1 355.442 2.359 20 5 FEBDMO C[C@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000501503904 561599175 /nfs/dbraw/zinc/59/91/75/561599175.db2.gz PNIVWPGEZWNRKA-HUUCEWRRSA-N 1 1 363.462 2.426 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000292698556 552750475 /nfs/dbraw/zinc/75/04/75/552750475.db2.gz SRRQPTUCLBNGOY-INIZCTEOSA-N 1 1 352.822 2.485 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H](O)Cc1ccccc1 ZINC000293243268 552802746 /nfs/dbraw/zinc/80/27/46/552802746.db2.gz HTZDHGFHQAMEIH-SFHVURJKSA-N 1 1 369.421 2.019 20 5 FEBDMO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C[C@@H](O)Cc1ccccc1 ZINC000293243268 552802747 /nfs/dbraw/zinc/80/27/47/552802747.db2.gz HTZDHGFHQAMEIH-SFHVURJKSA-N 1 1 369.421 2.019 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293250450 552803371 /nfs/dbraw/zinc/80/33/71/552803371.db2.gz TWOFHINWDTUBIY-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293250450 552803372 /nfs/dbraw/zinc/80/33/72/552803372.db2.gz TWOFHINWDTUBIY-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293334467 552812410 /nfs/dbraw/zinc/81/24/10/552812410.db2.gz MVKIMPYAZFNICR-HOCLYGCPSA-N 1 1 357.410 2.457 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293334467 552812412 /nfs/dbraw/zinc/81/24/12/552812412.db2.gz MVKIMPYAZFNICR-HOCLYGCPSA-N 1 1 357.410 2.457 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000295043755 552953682 /nfs/dbraw/zinc/95/36/82/552953682.db2.gz GDJFRZFPUXASCX-ZDUSSCGKSA-N 1 1 368.865 2.252 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295234433 552973426 /nfs/dbraw/zinc/97/34/26/552973426.db2.gz CWIRIECLGXTNEG-AGUYFDCRSA-N 1 1 353.444 2.061 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)c1ccccc1Br ZINC000295239697 552974337 /nfs/dbraw/zinc/97/43/37/552974337.db2.gz DKLONXCUHNWDET-ZDUSSCGKSA-N 1 1 369.219 2.219 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295296918 552983448 /nfs/dbraw/zinc/98/34/48/552983448.db2.gz JAUXTXLKEUATPH-SNVBAGLBSA-N 1 1 361.427 2.156 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C ZINC000295356319 552992742 /nfs/dbraw/zinc/99/27/42/552992742.db2.gz ONYALDQYCKCGCK-AGUYFDCRSA-N 1 1 353.444 2.115 20 5 FEBDMO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)c2cnn(CC)c2)c([N+](=O)[O-])c1 ZINC000296072209 553099984 /nfs/dbraw/zinc/09/99/84/553099984.db2.gz OROKDAZFYPZYSP-LBPRGKRZSA-N 1 1 361.402 2.499 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296653928 553193727 /nfs/dbraw/zinc/19/37/27/553193727.db2.gz FSEDZPRYRUVJKY-LLVKDONJSA-N 1 1 356.810 2.217 20 5 FEBDMO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)CC1 ZINC000296964679 553235972 /nfs/dbraw/zinc/23/59/72/553235972.db2.gz OGGDLYRPVQABCN-NSHDSACASA-N 1 1 350.375 2.368 20 5 FEBDMO C[C@H](NC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000297750846 553333959 /nfs/dbraw/zinc/33/39/59/553333959.db2.gz VBLMNJQNBLOKJP-KGLIPLIRSA-N 1 1 364.446 2.142 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000299427828 553561811 /nfs/dbraw/zinc/56/18/11/553561811.db2.gz XJPSPZFMWKIITI-KGLIPLIRSA-N 1 1 364.446 2.347 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000299481578 553569345 /nfs/dbraw/zinc/56/93/45/553569345.db2.gz ZLDCASFRFUTYHO-LJQANCHMSA-N 1 1 374.441 2.094 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1[N+](=O)[O-] ZINC000299627172 553590987 /nfs/dbraw/zinc/59/09/87/553590987.db2.gz XRYPTCVMQLPYTM-GFCCVEGCSA-N 1 1 363.443 2.330 20 5 FEBDMO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000299702591 553603287 /nfs/dbraw/zinc/60/32/87/553603287.db2.gz FKAUYJOKPRNYBP-ZDUSSCGKSA-N 1 1 354.476 2.144 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000302549359 553720911 /nfs/dbraw/zinc/72/09/11/553720911.db2.gz PTMSRUWDCBRMHL-NSHDSACASA-N 1 1 359.373 2.478 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000505614322 561675339 /nfs/dbraw/zinc/67/53/39/561675339.db2.gz SXYSJYVYQHBDCD-INIZCTEOSA-N 1 1 357.414 2.131 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000506529180 561701230 /nfs/dbraw/zinc/70/12/30/561701230.db2.gz YWJJTFINMBFOGY-CYBMUJFWSA-N 1 1 357.414 2.480 20 5 FEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000507594338 561734539 /nfs/dbraw/zinc/73/45/39/561734539.db2.gz ABRPZGYPHLPKAD-GXTWGEPZSA-N 1 1 356.382 2.261 20 5 FEBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000331014382 554201315 /nfs/dbraw/zinc/20/13/15/554201315.db2.gz XERNJWARLJPFTN-OAHLLOKOSA-N 1 1 354.838 2.459 20 5 FEBDMO CC(C)[C@@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000331173424 554225909 /nfs/dbraw/zinc/22/59/09/554225909.db2.gz VARNDFPFXIEFGB-KRWDZBQOSA-N 1 1 357.414 2.193 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+]1C ZINC000331173427 554226067 /nfs/dbraw/zinc/22/60/67/554226067.db2.gz VARNDFPFXIEFGB-QGZVFWFLSA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000331323769 554247019 /nfs/dbraw/zinc/24/70/19/554247019.db2.gz MPMLOSKBMIMAFF-JQWIXIFHSA-N 1 1 370.247 2.499 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331388438 554255739 /nfs/dbraw/zinc/25/57/39/554255739.db2.gz PIKCPEHIJSMCNR-LSDHHAIUSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000331388438 554255742 /nfs/dbraw/zinc/25/57/42/554255742.db2.gz PIKCPEHIJSMCNR-LSDHHAIUSA-N 1 1 374.441 2.256 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000332337589 554428505 /nfs/dbraw/zinc/42/85/05/554428505.db2.gz WDZHPFVRAZPWOT-LSDHHAIUSA-N 1 1 370.247 2.262 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000511154313 561859690 /nfs/dbraw/zinc/85/96/90/561859690.db2.gz ZSBDFVFOWYJWMT-CQSZACIVSA-N 1 1 357.414 2.455 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000511154313 561859691 /nfs/dbraw/zinc/85/96/91/561859691.db2.gz ZSBDFVFOWYJWMT-CQSZACIVSA-N 1 1 357.414 2.455 20 5 FEBDMO Cc1sc(C(=O)N2CCC[N@H+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000360961533 554897319 /nfs/dbraw/zinc/89/73/19/554897319.db2.gz UPIUAIMZCOSTEV-UHFFFAOYSA-N 1 1 353.444 2.292 20 5 FEBDMO CCOC(=O)c1ccnc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000361105900 554904444 /nfs/dbraw/zinc/90/44/44/554904444.db2.gz SXFLIOKAGYWROQ-QEJZJMRPSA-N 1 1 360.414 2.087 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000361153629 554906918 /nfs/dbraw/zinc/90/69/18/554906918.db2.gz JJAGIKPQWHVNQE-AWEZNQCLSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Cl)cc([N+](=O)[O-])c3)C2)CC1 ZINC000361153629 554906920 /nfs/dbraw/zinc/90/69/20/554906920.db2.gz JJAGIKPQWHVNQE-AWEZNQCLSA-N 1 1 366.849 2.147 20 5 FEBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CN1 ZINC000361217817 554910316 /nfs/dbraw/zinc/91/03/16/554910316.db2.gz PXFZXNKLTNEPBO-DZGCQCFKSA-N 1 1 371.397 2.135 20 5 FEBDMO COc1cc(OCC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000362176689 554954032 /nfs/dbraw/zinc/95/40/32/554954032.db2.gz GNEBDIQCKRYGRI-MRXNPFEDSA-N 1 1 371.393 2.285 20 5 FEBDMO COc1cc(OCC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)ccc1[N+](=O)[O-] ZINC000362176689 554954034 /nfs/dbraw/zinc/95/40/34/554954034.db2.gz GNEBDIQCKRYGRI-MRXNPFEDSA-N 1 1 371.393 2.285 20 5 FEBDMO COCc1nccc([C@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000362781597 554988114 /nfs/dbraw/zinc/98/81/14/554988114.db2.gz NRCKLMNESUFLSO-YJBOKZPZSA-N 1 1 372.425 2.444 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363043093 555017018 /nfs/dbraw/zinc/01/70/18/555017018.db2.gz VOKVRMCKADQMIP-ZIAGYGMSSA-N 1 1 357.414 2.220 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1C ZINC000363160811 555042949 /nfs/dbraw/zinc/04/29/49/555042949.db2.gz KXRXRRBKPVTGFO-AWEZNQCLSA-N 1 1 353.444 2.070 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000363424293 555102250 /nfs/dbraw/zinc/10/22/50/555102250.db2.gz QIXYMACANZTIAS-JLSDUUJJSA-N 1 1 361.442 2.143 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000363424212 555102339 /nfs/dbraw/zinc/10/23/39/555102339.db2.gz PMQNMCSCHPMJJJ-HACGYAERSA-N 1 1 365.405 2.353 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC000363641572 555152783 /nfs/dbraw/zinc/15/27/83/555152783.db2.gz PHVUELXCPPMQHI-CSMYWGQOSA-N 1 1 363.414 2.287 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000363647763 555154610 /nfs/dbraw/zinc/15/46/10/555154610.db2.gz AOIIZPGEVBFARQ-UHFFFAOYSA-N 1 1 355.822 2.433 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000364038877 555238018 /nfs/dbraw/zinc/23/80/18/555238018.db2.gz OHMZMQXTQXIHJR-GHMZBOCLSA-N 1 1 369.805 2.310 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207922 555270291 /nfs/dbraw/zinc/27/02/91/555270291.db2.gz PXEDFEOUUGJMOH-CYBMUJFWSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207922 555270293 /nfs/dbraw/zinc/27/02/93/555270293.db2.gz PXEDFEOUUGJMOH-CYBMUJFWSA-N 1 1 366.849 2.147 20 5 FEBDMO O=C(CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000364232889 555275430 /nfs/dbraw/zinc/27/54/30/555275430.db2.gz BVABDDNYMDRRRU-CHWSQXEVSA-N 1 1 351.378 2.421 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345260 555295160 /nfs/dbraw/zinc/29/51/60/555295160.db2.gz UYCJBFPHVHGMHM-IKGGRYGDSA-N 1 1 363.458 2.453 20 5 FEBDMO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000364345261 555295398 /nfs/dbraw/zinc/29/53/98/555295398.db2.gz UYCJBFPHVHGMHM-IXDOHACOSA-N 1 1 363.458 2.453 20 5 FEBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)C1 ZINC000364887153 555426021 /nfs/dbraw/zinc/42/60/21/555426021.db2.gz ZUUSKXWKOSEPMR-OAHLLOKOSA-N 1 1 355.442 2.359 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000365206677 555511162 /nfs/dbraw/zinc/51/11/62/555511162.db2.gz YPQKGMZZEDBPKY-AWEZNQCLSA-N 1 1 353.444 2.070 20 5 FEBDMO C[C@H]1C[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)c2)C[C@H](C)O1 ZINC000513377693 561936127 /nfs/dbraw/zinc/93/61/27/561936127.db2.gz VYFQPHKUDUPEGF-RYUDHWBXSA-N 1 1 359.386 2.179 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365793157 555668776 /nfs/dbraw/zinc/66/87/76/555668776.db2.gz FGILMWHEXBJQBF-CVEARBPZSA-N 1 1 362.386 2.478 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365793157 555668778 /nfs/dbraw/zinc/66/87/78/555668778.db2.gz FGILMWHEXBJQBF-CVEARBPZSA-N 1 1 362.386 2.478 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000513820799 561951343 /nfs/dbraw/zinc/95/13/43/561951343.db2.gz WLMKHMDRQVQXHB-UHFFFAOYSA-N 1 1 363.458 2.408 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000366196410 555778035 /nfs/dbraw/zinc/77/80/35/555778035.db2.gz XMUNKOPQAMCUKI-NEPJUHHUSA-N 1 1 350.394 2.109 20 5 FEBDMO O=C(N[C@@H]1CCc2nc[nH]c2C1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000366455914 555849126 /nfs/dbraw/zinc/84/91/26/555849126.db2.gz KCEMJDVKRBKGFV-CYBMUJFWSA-N 1 1 355.398 2.205 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000367531905 556075776 /nfs/dbraw/zinc/07/57/76/556075776.db2.gz UXPORRLLDATVMV-MSOLQXFVSA-N 1 1 369.421 2.292 20 5 FEBDMO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000367938239 556177617 /nfs/dbraw/zinc/17/76/17/556177617.db2.gz JTZKFQLDLVNBRZ-INIZCTEOSA-N 1 1 360.458 2.261 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000368375604 556291747 /nfs/dbraw/zinc/29/17/47/556291747.db2.gz WUYJMYATQDGJGM-KBPBESRZSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000368375604 556291749 /nfs/dbraw/zinc/29/17/49/556291749.db2.gz WUYJMYATQDGJGM-KBPBESRZSA-N 1 1 352.387 2.146 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@@H]2[C@H]1c1ccccc1 ZINC000368472161 556319895 /nfs/dbraw/zinc/31/98/95/556319895.db2.gz ZBVVLVHSGOGMGA-ZRGWGRIASA-N 1 1 364.409 2.377 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000515474179 562011994 /nfs/dbraw/zinc/01/19/94/562011994.db2.gz IKYJSQHTNBQLMT-UHFFFAOYSA-N 1 1 360.256 2.048 20 5 FEBDMO CN(CCCNc1ncc(Br)cc1[N+](=O)[O-])CC[NH+](C)C ZINC000515474179 562011995 /nfs/dbraw/zinc/01/19/95/562011995.db2.gz IKYJSQHTNBQLMT-UHFFFAOYSA-N 1 1 360.256 2.048 20 5 FEBDMO CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369006921 556474016 /nfs/dbraw/zinc/47/40/16/556474016.db2.gz FBXIXJNFEVYVNK-RDJZCZTQSA-N 1 1 357.414 2.258 20 5 FEBDMO CN(C)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369006921 556474020 /nfs/dbraw/zinc/47/40/20/556474020.db2.gz FBXIXJNFEVYVNK-RDJZCZTQSA-N 1 1 357.414 2.258 20 5 FEBDMO Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369007041 556474060 /nfs/dbraw/zinc/47/40/60/556474060.db2.gz BTSFNULYDLNHKA-NVXWUHKLSA-N 1 1 360.414 2.177 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)cccc1[N+](=O)[O-] ZINC000369069006 556496633 /nfs/dbraw/zinc/49/66/33/556496633.db2.gz YCLWCANHCOPYKN-HNNXBMFYSA-N 1 1 374.441 2.222 20 5 FEBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229928 556542513 /nfs/dbraw/zinc/54/25/13/556542513.db2.gz UJCRFVJGPITGHD-FUHWJXTLSA-N 1 1 360.414 2.295 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)CC2)C1 ZINC000369412118 556594878 /nfs/dbraw/zinc/59/48/78/556594878.db2.gz PAULZJDCFOLTQZ-INIZCTEOSA-N 1 1 352.866 2.460 20 5 FEBDMO Cc1cc(C2=CC[N@H+](C[C@H]3CCS(=O)(=O)C3)CC2)cc([N+](=O)[O-])c1N ZINC000369476139 556607314 /nfs/dbraw/zinc/60/73/14/556607314.db2.gz ITVXCDZZYOUSSL-CYBMUJFWSA-N 1 1 365.455 2.009 20 5 FEBDMO Cc1cc(C2=CC[N@@H+](C[C@H]3CCS(=O)(=O)C3)CC2)cc([N+](=O)[O-])c1N ZINC000369476139 556607315 /nfs/dbraw/zinc/60/73/15/556607315.db2.gz ITVXCDZZYOUSSL-CYBMUJFWSA-N 1 1 365.455 2.009 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c([N+](=O)[O-])cc1F ZINC000370409705 556864737 /nfs/dbraw/zinc/86/47/37/556864737.db2.gz IDYUQWSVZVYILD-KRWDZBQOSA-N 1 1 351.378 2.187 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1 ZINC000370724908 556950344 /nfs/dbraw/zinc/95/03/44/556950344.db2.gz NKQPOGLVPAPDLS-ZDUSSCGKSA-N 1 1 367.471 2.236 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370861114 556993861 /nfs/dbraw/zinc/99/38/61/556993861.db2.gz LTLUMKPKOCJHET-QMMMGPOBSA-N 1 1 372.353 2.284 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370861114 556993863 /nfs/dbraw/zinc/99/38/63/556993863.db2.gz LTLUMKPKOCJHET-QMMMGPOBSA-N 1 1 372.353 2.284 20 5 FEBDMO Cn1cc([C@H]2[C@@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3)CCC[N@H+]2C)cn1 ZINC000370930374 557020295 /nfs/dbraw/zinc/02/02/95/557020295.db2.gz ZZEGLYNTAKSRLJ-DNVCBOLYSA-N 1 1 371.441 2.070 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)c1[N+](=O)[O-] ZINC000371021460 557048957 /nfs/dbraw/zinc/04/89/57/557048957.db2.gz DVUFVOUURCOBKT-CYBMUJFWSA-N 1 1 360.418 2.261 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC000371233242 557114516 /nfs/dbraw/zinc/11/45/16/557114516.db2.gz XKRSIZZAADFRPM-KBPBESRZSA-N 1 1 363.414 2.290 20 5 FEBDMO CCCc1n[nH]c(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000517625125 562094094 /nfs/dbraw/zinc/09/40/94/562094094.db2.gz MFOODSOWLSEBAY-UHFFFAOYSA-N 1 1 351.451 2.463 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000517625125 562094095 /nfs/dbraw/zinc/09/40/95/562094095.db2.gz MFOODSOWLSEBAY-UHFFFAOYSA-N 1 1 351.451 2.463 20 5 FEBDMO CCCc1[nH]nc(C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000517625125 562094096 /nfs/dbraw/zinc/09/40/96/562094096.db2.gz MFOODSOWLSEBAY-UHFFFAOYSA-N 1 1 351.451 2.463 20 5 FEBDMO C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2ncccn2)CC1 ZINC000372150445 557393142 /nfs/dbraw/zinc/39/31/42/557393142.db2.gz OMSIPFGNWNRBQA-QGZVFWFLSA-N 1 1 357.414 2.019 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372156396 557394596 /nfs/dbraw/zinc/39/45/96/557394596.db2.gz KHIOCXUHTLMPFA-ZIAGYGMSSA-N 1 1 363.414 2.290 20 5 FEBDMO C[N@H+]1CC[C@@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1cccs1 ZINC000372842257 557573449 /nfs/dbraw/zinc/57/34/49/557573449.db2.gz VWDNCDNHTGEVRW-ZBEGNZNMSA-N 1 1 358.427 2.804 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000373253212 557658937 /nfs/dbraw/zinc/65/89/37/557658937.db2.gz SLXIEYFWLOFKPP-XQQFMLRXSA-N 1 1 365.434 2.063 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000373253212 557658939 /nfs/dbraw/zinc/65/89/39/557658939.db2.gz SLXIEYFWLOFKPP-XQQFMLRXSA-N 1 1 365.434 2.063 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000373477064 557701137 /nfs/dbraw/zinc/70/11/37/557701137.db2.gz WEQGLNFIZQDBRP-UHFFFAOYSA-N 1 1 359.342 2.485 20 5 FEBDMO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1 ZINC000373528459 557711214 /nfs/dbraw/zinc/71/12/14/557711214.db2.gz IFAOFSAJJVJCCY-CQSZACIVSA-N 1 1 350.438 2.334 20 5 FEBDMO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])CC[N@H+]1C1CCN(C)CC1 ZINC000373528459 557711217 /nfs/dbraw/zinc/71/12/17/557711217.db2.gz IFAOFSAJJVJCCY-CQSZACIVSA-N 1 1 350.438 2.334 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2nc(N(C)C)no2)CC1 ZINC000373545342 557715518 /nfs/dbraw/zinc/71/55/18/557715518.db2.gz SUDLFJGCBDFGKN-UHFFFAOYSA-N 1 1 361.402 2.432 20 5 FEBDMO Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373581219 557722270 /nfs/dbraw/zinc/72/22/70/557722270.db2.gz DVBRGBZVKHTSIF-AEFFLSMTSA-N 1 1 374.441 2.485 20 5 FEBDMO O=C1O[C@H](C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CN1c1ccccc1 ZINC000373586508 557723732 /nfs/dbraw/zinc/72/37/32/557723732.db2.gz SSYIBJMPESISCM-NVXWUHKLSA-N 1 1 371.397 2.454 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000520388097 562155179 /nfs/dbraw/zinc/15/51/79/562155179.db2.gz BJZFYMOCMHTXAD-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000520388097 562155180 /nfs/dbraw/zinc/15/51/80/562155180.db2.gz BJZFYMOCMHTXAD-CQSZACIVSA-N 1 1 353.444 2.069 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1c1ccc(F)cc1 ZINC000373725213 557745740 /nfs/dbraw/zinc/74/57/40/557745740.db2.gz FRBOCROKXWNUAG-IRXDYDNUSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)[C@@H]1c1ccc(F)cc1 ZINC000373725213 557745742 /nfs/dbraw/zinc/74/57/42/557745742.db2.gz FRBOCROKXWNUAG-IRXDYDNUSA-N 1 1 358.373 2.491 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)n1 ZINC000373806754 557763113 /nfs/dbraw/zinc/76/31/13/557763113.db2.gz OPJRVRXPISAOCW-RDTXWAMCSA-N 1 1 372.429 2.181 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000374375703 557874348 /nfs/dbraw/zinc/87/43/48/557874348.db2.gz TWLZNUSZBVHKHL-CHWSQXEVSA-N 1 1 366.393 2.417 20 5 FEBDMO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000374375703 557874350 /nfs/dbraw/zinc/87/43/50/557874350.db2.gz TWLZNUSZBVHKHL-CHWSQXEVSA-N 1 1 366.393 2.417 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000521174854 562170916 /nfs/dbraw/zinc/17/09/16/562170916.db2.gz PNQUHBGMFBPTEF-AWEZNQCLSA-N 1 1 350.419 2.277 20 5 FEBDMO C[C@H]([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000374911556 557950184 /nfs/dbraw/zinc/95/01/84/557950184.db2.gz IZINQOBRGCDAGR-QAPCUYQASA-N 1 1 373.457 2.050 20 5 FEBDMO C[C@H]([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000374911556 557950185 /nfs/dbraw/zinc/95/01/85/557950185.db2.gz IZINQOBRGCDAGR-QAPCUYQASA-N 1 1 373.457 2.050 20 5 FEBDMO O=c1[nH]c(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)nc2ccc([N+](=O)[O-])cc21 ZINC000376399011 558168242 /nfs/dbraw/zinc/16/82/42/558168242.db2.gz WWKPSAMSSAFOJX-JKSUJKDBSA-N 1 1 373.413 2.299 20 5 FEBDMO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c1[N+](=O)[O-] ZINC000377814389 558425574 /nfs/dbraw/zinc/42/55/74/558425574.db2.gz NQTBNXVBRXWIEF-ZMSDIMECSA-N 1 1 369.425 2.012 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000378365095 558539695 /nfs/dbraw/zinc/53/96/95/558539695.db2.gz HUHJBWBVGRJFLA-KRWDZBQOSA-N 1 1 374.485 2.372 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1(C)C ZINC000378367656 558541037 /nfs/dbraw/zinc/54/10/37/558541037.db2.gz FNQDWPWXNXGRPH-LBPRGKRZSA-N 1 1 352.387 2.243 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1(C)C ZINC000378367656 558541039 /nfs/dbraw/zinc/54/10/39/558541039.db2.gz FNQDWPWXNXGRPH-LBPRGKRZSA-N 1 1 352.387 2.243 20 5 FEBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000408182442 558654701 /nfs/dbraw/zinc/65/47/01/558654701.db2.gz KRVWHBQBBWHGCU-PBHICJAKSA-N 1 1 358.442 2.043 20 5 FEBDMO COc1ccc(CSCC(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000524775172 562234434 /nfs/dbraw/zinc/23/44/34/562234434.db2.gz UHPZWFCBKMFBAL-CYBMUJFWSA-N 1 1 367.471 2.295 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000524872546 562236583 /nfs/dbraw/zinc/23/65/83/562236583.db2.gz NOTFPRMCYJNFNF-STQMWFEESA-N 1 1 371.459 2.097 20 5 FEBDMO CCOc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000525104999 562240571 /nfs/dbraw/zinc/24/05/71/562240571.db2.gz VCHAPVNQXXSJQC-NEPJUHHUSA-N 1 1 351.403 2.215 20 5 FEBDMO CC(C)c1cc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nc(N(C)C)[nH+]1 ZINC000525193964 562242668 /nfs/dbraw/zinc/24/26/68/562242668.db2.gz WCFIJWDBYLIDFB-UHFFFAOYSA-N 1 1 371.445 2.296 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1F ZINC000411473574 558901033 /nfs/dbraw/zinc/90/10/33/558901033.db2.gz OZRKWIGPIJBIEU-NWDGAFQWSA-N 1 1 351.378 2.028 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000411583780 558922901 /nfs/dbraw/zinc/92/29/01/558922901.db2.gz AHVKLEXAQBQZPN-UHFFFAOYSA-N 1 1 362.430 2.141 20 5 FEBDMO Cn1ncc2c1CCC[N@@H+](CCCn1c(=O)oc3ccc([N+](=O)[O-])cc31)C2 ZINC000411842662 558974537 /nfs/dbraw/zinc/97/45/37/558974537.db2.gz AKVDIDPLTALCLS-UHFFFAOYSA-N 1 1 371.397 2.075 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412059593 559008276 /nfs/dbraw/zinc/00/82/76/559008276.db2.gz XSCNVNNKBGTVHD-OAHLLOKOSA-N 1 1 374.441 2.319 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412059593 559008277 /nfs/dbraw/zinc/00/82/77/559008277.db2.gz XSCNVNNKBGTVHD-OAHLLOKOSA-N 1 1 374.441 2.319 20 5 FEBDMO CC(C)Oc1cc(C(=O)N[C@@H](C)CC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000412136297 559016430 /nfs/dbraw/zinc/01/64/30/559016430.db2.gz ZKVOSZUJVYJXTL-AWEZNQCLSA-N 1 1 365.430 2.223 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)CC1 ZINC000412284916 559024851 /nfs/dbraw/zinc/02/48/51/559024851.db2.gz DZMKIZOUVABKJI-DLBZAZTESA-N 1 1 369.425 2.217 20 5 FEBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ncc([N+](=O)[O-])cc1F ZINC000413252978 559092240 /nfs/dbraw/zinc/09/22/40/559092240.db2.gz TYFVZNMHMQTASU-SFHVURJKSA-N 1 1 360.389 2.202 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000413503552 559112462 /nfs/dbraw/zinc/11/24/62/559112462.db2.gz PDNIICPCZCVFHR-GXTWGEPZSA-N 1 1 367.421 2.474 20 5 FEBDMO Cc1c(NC(=O)NC2CCC([NH+]3CCNCC3)CC2)cccc1[N+](=O)[O-] ZINC000414716586 559181745 /nfs/dbraw/zinc/18/17/45/559181745.db2.gz XAZCTXLEVCAYLT-UHFFFAOYSA-N 1 1 361.446 2.241 20 5 FEBDMO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000415632090 559256817 /nfs/dbraw/zinc/25/68/17/559256817.db2.gz NVETUKHZPABFFV-UHFFFAOYSA-N 1 1 365.409 2.072 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416397249 559310062 /nfs/dbraw/zinc/31/00/62/559310062.db2.gz ILTITWWYXQNJGA-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCCC[N@@H+](C)C1CC1 ZINC000416503569 559318236 /nfs/dbraw/zinc/31/82/36/559318236.db2.gz VXICFXZFNCQGFT-UHFFFAOYSA-N 1 1 355.460 2.310 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000416550681 559321122 /nfs/dbraw/zinc/32/11/22/559321122.db2.gz FXPXIUQKVDCNPZ-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420928790 559511884 /nfs/dbraw/zinc/51/18/84/559511884.db2.gz PUOVQAAMBXNLTN-UKRRQHHQSA-N 1 1 365.430 2.199 20 5 FEBDMO COc1ccc(CSCC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000421701460 559549895 /nfs/dbraw/zinc/54/98/95/559549895.db2.gz HREVYWDWOHBTHV-AWEZNQCLSA-N 1 1 367.471 2.389 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000421766093 559552475 /nfs/dbraw/zinc/55/24/75/559552475.db2.gz CJQGCKORXMXLSR-SFHVURJKSA-N 1 1 362.474 2.213 20 5 FEBDMO COc1ccc(NC(=O)CN2CC3(C[C@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000424289668 559660844 /nfs/dbraw/zinc/66/08/44/559660844.db2.gz MGIOLKWVHHBOEB-CYBMUJFWSA-N 1 1 362.430 2.006 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000424976172 559681991 /nfs/dbraw/zinc/68/19/91/559681991.db2.gz ISXKYMASUHNLIM-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO C[N@@H+](CCCNC(=O)C1CCC1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429543655 559800839 /nfs/dbraw/zinc/80/08/39/559800839.db2.gz XUROMUKIRNCJKP-UHFFFAOYSA-N 1 1 362.430 2.162 20 5 FEBDMO CC(C)[C@H](CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000429833183 559806638 /nfs/dbraw/zinc/80/66/38/559806638.db2.gz WCSYILJXXIAVFE-KRWDZBQOSA-N 1 1 363.458 2.345 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000429845556 559806922 /nfs/dbraw/zinc/80/69/22/559806922.db2.gz CSIKAPBUXOOONF-UHFFFAOYSA-N 1 1 362.474 2.016 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000433315176 559876729 /nfs/dbraw/zinc/87/67/29/559876729.db2.gz AUKADVKRFSWTIR-INIZCTEOSA-N 1 1 361.398 2.272 20 5 FEBDMO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])C1 ZINC000434028531 559892758 /nfs/dbraw/zinc/89/27/58/559892758.db2.gz UWNFMJGPGHIECD-CYBMUJFWSA-N 1 1 367.450 2.014 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000434348726 559898379 /nfs/dbraw/zinc/89/83/79/559898379.db2.gz DHJJSSAWQZXUCZ-MRXNPFEDSA-N 1 1 374.441 2.384 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000434769292 559908994 /nfs/dbraw/zinc/90/89/94/559908994.db2.gz VMLJGAGQLLJAGL-ZDUSSCGKSA-N 1 1 357.407 2.029 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000434769292 559908995 /nfs/dbraw/zinc/90/89/95/559908995.db2.gz VMLJGAGQLLJAGL-ZDUSSCGKSA-N 1 1 357.407 2.029 20 5 FEBDMO O=C(C[N@@H+](CCO)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000439303736 559991791 /nfs/dbraw/zinc/99/17/91/559991791.db2.gz XRPKRLODYAAFFP-UHFFFAOYSA-N 1 1 372.219 2.143 20 5 FEBDMO O=C(C[N@H+](CCO)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000439303736 559991792 /nfs/dbraw/zinc/99/17/92/559991792.db2.gz XRPKRLODYAAFFP-UHFFFAOYSA-N 1 1 372.219 2.143 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000441084619 560023122 /nfs/dbraw/zinc/02/31/22/560023122.db2.gz BSRUCXQOVZERTP-OLZOCXBDSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000441084619 560023123 /nfs/dbraw/zinc/02/31/23/560023123.db2.gz BSRUCXQOVZERTP-OLZOCXBDSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000441095437 560023712 /nfs/dbraw/zinc/02/37/12/560023712.db2.gz RCKNDMDICHUVBR-QWRGUYRKSA-N 1 1 368.821 2.128 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000441095437 560023713 /nfs/dbraw/zinc/02/37/13/560023713.db2.gz RCKNDMDICHUVBR-QWRGUYRKSA-N 1 1 368.821 2.128 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441229172 560026719 /nfs/dbraw/zinc/02/67/19/560026719.db2.gz OIVIPDFREYOVGM-CVEARBPZSA-N 1 1 359.426 2.232 20 5 FEBDMO C[C@@H]1CN(C[C@@H](O)C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000441244374 560026859 /nfs/dbraw/zinc/02/68/59/560026859.db2.gz BTEWFKHAJXYQHO-RVKKMQEKSA-N 1 1 363.458 2.029 20 5 FEBDMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000441244374 560026860 /nfs/dbraw/zinc/02/68/60/560026860.db2.gz BTEWFKHAJXYQHO-RVKKMQEKSA-N 1 1 363.458 2.029 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H](O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000441244374 560026861 /nfs/dbraw/zinc/02/68/61/560026861.db2.gz BTEWFKHAJXYQHO-RVKKMQEKSA-N 1 1 363.458 2.029 20 5 FEBDMO C[C@@H]1C[N@H+](C[C@@H](O)CN(Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@H](C)O1 ZINC000441244374 560026862 /nfs/dbraw/zinc/02/68/62/560026862.db2.gz BTEWFKHAJXYQHO-RVKKMQEKSA-N 1 1 363.458 2.029 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000443331969 560080597 /nfs/dbraw/zinc/08/05/97/560080597.db2.gz WUXDLOYWSJCSEZ-ZENOOKHLSA-N 1 1 365.430 2.413 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000444605074 560116595 /nfs/dbraw/zinc/11/65/95/560116595.db2.gz BKZPLAZNCXRSFC-UHFFFAOYSA-N 1 1 372.429 2.027 20 5 FEBDMO 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Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000476376166 561117834 /nfs/dbraw/zinc/11/78/34/561117834.db2.gz QGNMFPSMRFBXPW-UHFFFAOYSA-N 1 1 357.414 2.065 20 5 FEBDMO CN1CC[NH+](Cc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3N)cc2)CC1 ZINC000530670503 562420012 /nfs/dbraw/zinc/42/00/12/562420012.db2.gz CTUHPTGEDLNKMR-UHFFFAOYSA-N 1 1 369.425 2.177 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000531540401 562449133 /nfs/dbraw/zinc/44/91/33/562449133.db2.gz MCEKJPXXWQVDBE-ZDUSSCGKSA-N 1 1 363.414 2.074 20 5 FEBDMO COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000531883193 562459911 /nfs/dbraw/zinc/45/99/11/562459911.db2.gz CKIDXPRXUHRXMN-QGZVFWFLSA-N 1 1 372.425 2.429 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000533309688 562504878 /nfs/dbraw/zinc/50/48/78/562504878.db2.gz VAFIFZSWMLAAOI-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cccc(C[C@H]2CCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000534139002 562526392 /nfs/dbraw/zinc/52/63/92/562526392.db2.gz YAQNRZDMEXLSEE-MRXNPFEDSA-N 1 1 357.410 2.472 20 5 FEBDMO COc1ccc(CC(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000536033574 562571841 /nfs/dbraw/zinc/57/18/41/562571841.db2.gz YJDMMLYFJQLHBO-MRXNPFEDSA-N 1 1 355.394 2.449 20 5 FEBDMO COc1ccc(CC(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000536033574 562571842 /nfs/dbraw/zinc/57/18/42/562571842.db2.gz YJDMMLYFJQLHBO-MRXNPFEDSA-N 1 1 355.394 2.449 20 5 FEBDMO CC(C)C[N@@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751088 568175242 /nfs/dbraw/zinc/17/52/42/568175242.db2.gz XRVQJSBCBPCPCP-DLBZAZTESA-N 1 1 365.474 2.292 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000568751088 568175243 /nfs/dbraw/zinc/17/52/43/568175243.db2.gz XRVQJSBCBPCPCP-DLBZAZTESA-N 1 1 365.474 2.292 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000811812235 674630048 /nfs/dbraw/zinc/63/00/48/674630048.db2.gz PAXSTDTUCXAJPC-CABZTGNLSA-N 1 1 350.375 2.341 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC3(CC1)OCCCO3)OCCO2 ZINC000816645883 675070690 /nfs/dbraw/zinc/07/06/90/675070690.db2.gz MJVUVVMQIJUUFW-UHFFFAOYSA-N 1 1 350.371 2.095 20 5 FEBDMO C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000816750303 675077819 /nfs/dbraw/zinc/07/78/19/675077819.db2.gz LDLOYDINFHOUKB-GJZGRUSLSA-N 1 1 353.806 2.183 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000113198632 670881266 /nfs/dbraw/zinc/88/12/66/670881266.db2.gz LATLECNAOVBVBR-ZDUSSCGKSA-N 1 1 350.375 2.497 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1ccco1 ZINC000573518546 671132579 /nfs/dbraw/zinc/13/25/79/671132579.db2.gz GGGUNFCRUHFBNO-AWEZNQCLSA-N 1 1 353.325 2.428 20 5 FEBDMO Cc1nn(CCC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000608812488 675904514 /nfs/dbraw/zinc/90/45/14/675904514.db2.gz QRQZGBUUFPCCMD-CHWSQXEVSA-N 1 1 351.451 2.035 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609848426 675939028 /nfs/dbraw/zinc/93/90/28/675939028.db2.gz IVWZFDAIWAUXKE-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CCO)C1 ZINC000609848426 675939031 /nfs/dbraw/zinc/93/90/31/675939031.db2.gz IVWZFDAIWAUXKE-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cc(Br)cc([N+](=O)[O-])c2=O)C1 ZINC000582797421 672034968 /nfs/dbraw/zinc/03/49/68/672034968.db2.gz RLAGHXACTGDYBC-PHIMTYICSA-N 1 1 358.236 2.497 20 5 FEBDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000583866932 672133442 /nfs/dbraw/zinc/13/34/42/672133442.db2.gz LYNSBTNAAPIQCJ-INMHGKMJSA-N 1 1 351.447 2.187 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000584581724 672202232 /nfs/dbraw/zinc/20/22/32/672202232.db2.gz WLEJKAKYWLVARR-DJIMGWMZSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000584581724 672202234 /nfs/dbraw/zinc/20/22/34/672202234.db2.gz WLEJKAKYWLVARR-DJIMGWMZSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@@H]1C[NH+](CCn2ccc([N+](=O)[O-])n2)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000176243515 672374701 /nfs/dbraw/zinc/37/47/01/672374701.db2.gz ZULTZCKHHIOKKF-CHWSQXEVSA-N 1 1 353.423 2.121 20 5 FEBDMO CS[C@@H]1CCCC[N@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610990453 676009268 /nfs/dbraw/zinc/00/92/68/676009268.db2.gz NNAFRGJQIKZPHJ-LLVKDONJSA-N 1 1 367.427 2.480 20 5 FEBDMO CS[C@@H]1CCCC[N@@H+](CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000610990453 676009270 /nfs/dbraw/zinc/00/92/70/676009270.db2.gz NNAFRGJQIKZPHJ-LLVKDONJSA-N 1 1 367.427 2.480 20 5 FEBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCOC1 ZINC000178776678 672395071 /nfs/dbraw/zinc/39/50/71/672395071.db2.gz WFHSPWJEJUKJBS-SNVBAGLBSA-N 1 1 372.219 2.264 20 5 FEBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)[C@@H]2C1 ZINC000590043743 672555341 /nfs/dbraw/zinc/55/53/41/672555341.db2.gz FLFNMYFYBYJWPG-IUODEOHRSA-N 1 1 358.423 2.494 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)[C@@H]2C1 ZINC000590045728 672556175 /nfs/dbraw/zinc/55/61/75/672556175.db2.gz TYWBXCJSCOJPSQ-SMDDNHRTSA-N 1 1 368.231 2.062 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000590165412 672562862 /nfs/dbraw/zinc/56/28/62/672562862.db2.gz RVAOPKKDJWDKPV-QGZVFWFLSA-N 1 1 367.471 2.318 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000590590633 672594009 /nfs/dbraw/zinc/59/40/09/672594009.db2.gz HGJRBNQNGFRSGE-GFCCVEGCSA-N 1 1 359.423 2.005 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000194335959 672756666 /nfs/dbraw/zinc/75/66/66/672756666.db2.gz BOJPOWFFRISMAI-LBPRGKRZSA-N 1 1 359.423 2.277 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H]1CCCOC1 ZINC000593070346 672871784 /nfs/dbraw/zinc/87/17/84/672871784.db2.gz WQIHGHPPKJAFJK-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO CC(C)C[N@@H+](C)CCCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000593479665 672929117 /nfs/dbraw/zinc/92/91/17/672929117.db2.gz HZFQOUCFOYWWIP-UHFFFAOYSA-N 1 1 372.491 2.235 20 5 FEBDMO CN(CC[NH+]1CCCCC1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000593666214 672974197 /nfs/dbraw/zinc/97/41/97/672974197.db2.gz MKWATFPWHSUPSM-UHFFFAOYSA-N 1 1 361.851 2.355 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027225 673022423 /nfs/dbraw/zinc/02/24/23/673022423.db2.gz SSUYFQGKWYNEJL-GDBMZVCRSA-N 1 1 350.415 2.368 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1C ZINC000594800033 673147124 /nfs/dbraw/zinc/14/71/24/673147124.db2.gz BBKNYBOBRBDYIJ-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595294904 673217786 /nfs/dbraw/zinc/21/77/86/673217786.db2.gz UHYSGJZAAUYCJR-TZMCWYRMSA-N 1 1 353.394 2.097 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000595382139 673238648 /nfs/dbraw/zinc/23/86/48/673238648.db2.gz QUDMSVNABCNDDA-UHFFFAOYSA-N 1 1 359.448 2.002 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000595670774 673281475 /nfs/dbraw/zinc/28/14/75/673281475.db2.gz CRSUCAOHABCOEZ-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000595670774 673281476 /nfs/dbraw/zinc/28/14/76/673281476.db2.gz CRSUCAOHABCOEZ-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c([N+](=O)[O-])cc1F ZINC000613383354 676126816 /nfs/dbraw/zinc/12/68/16/676126816.db2.gz CAUODJSUQIJKIE-INIZCTEOSA-N 1 1 353.394 2.479 20 5 FEBDMO COC[C@]1(C(=O)OC)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595803286 673326540 /nfs/dbraw/zinc/32/65/40/673326540.db2.gz SXQWWGHOLJMGAD-KRWDZBQOSA-N 1 1 352.387 2.018 20 5 FEBDMO COC[C@]1(C(=O)OC)CCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595803286 673326544 /nfs/dbraw/zinc/32/65/44/673326544.db2.gz SXQWWGHOLJMGAD-KRWDZBQOSA-N 1 1 352.387 2.018 20 5 FEBDMO CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000595826949 673328268 /nfs/dbraw/zinc/32/82/68/673328268.db2.gz PWMBISMSWTYGRA-OAHLLOKOSA-N 1 1 350.419 2.051 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000595827528 673328468 /nfs/dbraw/zinc/32/84/68/673328468.db2.gz DLJMNKIEAJUUHA-GFCCVEGCSA-N 1 1 351.378 2.187 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c([N+](=O)[O-])cc1F ZINC000595827528 673328471 /nfs/dbraw/zinc/32/84/71/673328471.db2.gz DLJMNKIEAJUUHA-GFCCVEGCSA-N 1 1 351.378 2.187 20 5 FEBDMO NS(=O)(=O)c1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000596480160 673388760 /nfs/dbraw/zinc/38/87/60/673388760.db2.gz WMPFFEWXXJVRBY-LBPRGKRZSA-N 1 1 368.459 2.061 20 5 FEBDMO O=C(c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1)N1CCOCC1 ZINC000538369505 673436256 /nfs/dbraw/zinc/43/62/56/673436256.db2.gz PRHKUOYPJTVJEH-UHFFFAOYSA-N 1 1 361.423 2.419 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000597090171 673445867 /nfs/dbraw/zinc/44/58/67/673445867.db2.gz ILSAFINTCCJDMN-TVQRCGJNSA-N 1 1 353.810 2.388 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000540348629 673535405 /nfs/dbraw/zinc/53/54/05/673535405.db2.gz RNOYGKSJMYGBES-KBPBESRZSA-N 1 1 350.419 2.066 20 5 FEBDMO CCC[N@H+]1CC[C@@H](NC(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000598342409 673561311 /nfs/dbraw/zinc/56/13/11/673561311.db2.gz MUNHSHNTJVTATC-CQSZACIVSA-N 1 1 367.471 2.437 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598966838 673625333 /nfs/dbraw/zinc/62/53/33/673625333.db2.gz JFJBCRUIUWSXQA-AWEZNQCLSA-N 1 1 350.419 2.135 20 5 FEBDMO NS(=O)(=O)c1ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)c([N+](=O)[O-])c1 ZINC000599126512 673635065 /nfs/dbraw/zinc/63/50/65/673635065.db2.gz IZALWDLMMWQBLE-CYBMUJFWSA-N 1 1 368.459 2.061 20 5 FEBDMO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599125865 673635239 /nfs/dbraw/zinc/63/52/39/673635239.db2.gz DUFWYJXLDBAALU-AWEZNQCLSA-N 1 1 368.459 2.061 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000543673262 673660612 /nfs/dbraw/zinc/66/06/12/673660612.db2.gz MLWCEKATLYFQAF-OCCSQVGLSA-N 1 1 355.460 2.172 20 5 FEBDMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000599416931 673673164 /nfs/dbraw/zinc/67/31/64/673673164.db2.gz YQZRLELZIMEIFK-NSHDSACASA-N 1 1 361.851 2.258 20 5 FEBDMO COc1cc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000599542845 673689783 /nfs/dbraw/zinc/68/97/83/673689783.db2.gz FHLUVSVJJUGGBX-OAHLLOKOSA-N 1 1 350.415 2.357 20 5 FEBDMO C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411480 673727004 /nfs/dbraw/zinc/72/70/04/673727004.db2.gz FUCJZKOVHVHKJG-VHSXEESVSA-N 1 1 363.386 2.486 20 5 FEBDMO C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000742411480 673727005 /nfs/dbraw/zinc/72/70/05/673727005.db2.gz FUCJZKOVHVHKJG-VHSXEESVSA-N 1 1 363.386 2.486 20 5 FEBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000614445269 676175444 /nfs/dbraw/zinc/17/54/44/676175444.db2.gz XHLIZYREKPLWOV-GFCCVEGCSA-N 1 1 353.444 2.157 20 5 FEBDMO COC(=O)CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000743871816 673774290 /nfs/dbraw/zinc/77/42/90/673774290.db2.gz UUJGOOWHBLNBTM-UHFFFAOYSA-N 1 1 352.387 2.018 20 5 FEBDMO COC(=O)CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000743872681 673774414 /nfs/dbraw/zinc/77/44/14/673774414.db2.gz XYHRLBZTTVTELG-UHFFFAOYSA-N 1 1 352.387 2.018 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000601447880 673863854 /nfs/dbraw/zinc/86/38/54/673863854.db2.gz XSCKHHUDFKGJJA-OAHLLOKOSA-N 1 1 373.862 2.271 20 5 FEBDMO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602545075 673907940 /nfs/dbraw/zinc/90/79/40/673907940.db2.gz MPDRZZQOQVLNET-ZETCQYMHSA-N 1 1 371.278 2.332 20 5 FEBDMO COC(=O)[C@]1(OC)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602722301 673910218 /nfs/dbraw/zinc/91/02/18/673910218.db2.gz AUCKHSMSIKAIQQ-AWEZNQCLSA-N 1 1 362.304 2.378 20 5 FEBDMO COC(=O)[C@]1(OC)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602722301 673910220 /nfs/dbraw/zinc/91/02/20/673910220.db2.gz AUCKHSMSIKAIQQ-AWEZNQCLSA-N 1 1 362.304 2.378 20 5 FEBDMO CN(Cc1cccs1)C(=O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965581 673914711 /nfs/dbraw/zinc/91/47/11/673914711.db2.gz IYRXUVPHAINPNO-QGZVFWFLSA-N 1 1 363.439 2.112 20 5 FEBDMO CCOC(=O)c1sc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)nc1C ZINC000819137832 675263945 /nfs/dbraw/zinc/26/39/45/675263945.db2.gz FDFJTBAHFHWJBF-CYBMUJFWSA-N 1 1 365.411 2.360 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000819635842 675306371 /nfs/dbraw/zinc/30/63/71/675306371.db2.gz JVMAUJDQTFVGMT-UHFFFAOYSA-N 1 1 353.394 2.225 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC12COC2 ZINC000824490143 675606103 /nfs/dbraw/zinc/60/61/03/675606103.db2.gz XLHNXELTKCWNBU-ZDUSSCGKSA-N 1 1 354.790 2.260 20 5 FEBDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC12COC2 ZINC000824490143 675606104 /nfs/dbraw/zinc/60/61/04/675606104.db2.gz XLHNXELTKCWNBU-ZDUSSCGKSA-N 1 1 354.790 2.260 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000603930592 675802427 /nfs/dbraw/zinc/80/24/27/675802427.db2.gz ZEFPATWSZOQXSH-CYBMUJFWSA-N 1 1 370.475 2.309 20 5 FEBDMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000604199909 675803878 /nfs/dbraw/zinc/80/38/78/675803878.db2.gz WXTXESXSSLSXSL-VIFPVBQESA-N 1 1 359.329 2.029 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000838344950 680687746 /nfs/dbraw/zinc/68/77/46/680687746.db2.gz KAUKZYLCIWBZMM-LBPRGKRZSA-N 1 1 370.427 2.030 20 5 FEBDMO CSc1cccc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000838905075 680726971 /nfs/dbraw/zinc/72/69/71/680726971.db2.gz WWDDWFJRNOWFJQ-TXEJJXNPSA-N 1 1 352.412 2.337 20 5 FEBDMO COC[C@@]1(CO)CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839616951 680766920 /nfs/dbraw/zinc/76/69/20/680766920.db2.gz FKIVRFFUAHRXIO-AWEZNQCLSA-N 1 1 359.220 2.188 20 5 FEBDMO COC[C@@]1(CO)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839616951 680766921 /nfs/dbraw/zinc/76/69/21/680766921.db2.gz FKIVRFFUAHRXIO-AWEZNQCLSA-N 1 1 359.220 2.188 20 5 FEBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139801 680101040 /nfs/dbraw/zinc/10/10/40/680101040.db2.gz NERZCJDBVJKMOM-PRULPYPASA-N 1 1 358.225 2.395 20 5 FEBDMO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001020139873 680101088 /nfs/dbraw/zinc/10/10/88/680101088.db2.gz QIVRHNKWRPGNHU-AAVRWANBSA-N 1 1 357.332 2.107 20 5 FEBDMO CCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl)[C@@H]1CC[N@@H+](C)C1 ZINC000832742458 680171425 /nfs/dbraw/zinc/17/14/25/680171425.db2.gz IHTPGWBTYHHQDX-LLVKDONJSA-N 1 1 368.821 2.129 20 5 FEBDMO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001022063931 680193585 /nfs/dbraw/zinc/19/35/85/680193585.db2.gz PQOWJKIZGPPSFD-FBKDDSFISA-N 1 1 358.225 2.395 20 5 FEBDMO Cc1ccc2sc(C[NH2+][C@H]3C[C@@H](NC(=O)[C@@H]4CC4[N+](=O)[O-])C3)nc2c1 ZINC001022063969 680193594 /nfs/dbraw/zinc/19/35/94/680193594.db2.gz RIWLKKDGLBSJOZ-GFQSEFKGSA-N 1 1 360.439 2.007 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2sccc2Cl)CC1 ZINC000997773820 680365854 /nfs/dbraw/zinc/36/58/54/680365854.db2.gz YKSRQVNBCYLGMW-DGCLKSJQSA-N 1 1 357.863 2.395 20 5 FEBDMO O=C(NCC1CC[NH+](CCCc2ccsc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001400988 680460580 /nfs/dbraw/zinc/46/05/80/680460580.db2.gz WXTBLURHDXJYLR-HZPDHXFCSA-N 1 1 351.472 2.174 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1Cl ZINC000836717492 680503148 /nfs/dbraw/zinc/50/31/48/680503148.db2.gz BMWFXMGCUGDNBV-ZDUSSCGKSA-N 1 1 367.833 2.351 20 5 FEBDMO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000767637205 680919844 /nfs/dbraw/zinc/91/98/44/680919844.db2.gz IQTVTISDBNSYAH-UHFFFAOYSA-N 1 1 359.423 2.134 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000767637205 680919845 /nfs/dbraw/zinc/91/98/45/680919845.db2.gz IQTVTISDBNSYAH-UHFFFAOYSA-N 1 1 359.423 2.134 20 5 FEBDMO CSC[C@H]1CCC[N@@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000767771561 680925568 /nfs/dbraw/zinc/92/55/68/680925568.db2.gz RPGHZPRGIPMRCS-CQSZACIVSA-N 1 1 364.427 2.148 20 5 FEBDMO CSC[C@H]1CCC[N@H+]1CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000767771561 680925569 /nfs/dbraw/zinc/92/55/69/680925569.db2.gz RPGHZPRGIPMRCS-CQSZACIVSA-N 1 1 364.427 2.148 20 5 FEBDMO Cc1c(C[N@H+](CCO)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000767921993 680932196 /nfs/dbraw/zinc/93/21/96/680932196.db2.gz CFBCPUNRPCPMTF-UHFFFAOYSA-N 1 1 353.419 2.222 20 5 FEBDMO Cc1c(C[N@@H+](CCO)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000767921993 680932197 /nfs/dbraw/zinc/93/21/97/680932197.db2.gz CFBCPUNRPCPMTF-UHFFFAOYSA-N 1 1 353.419 2.222 20 5 FEBDMO C[C@@H](SC[C@@H]1C[N@H+](C)CCO1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000842651594 680957281 /nfs/dbraw/zinc/95/72/81/680957281.db2.gz ALBITVLABXLRPT-PWSUYJOCSA-N 1 1 357.407 2.125 20 5 FEBDMO C[C@@H](SC[C@@H]1C[N@@H+](C)CCO1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000842651594 680957283 /nfs/dbraw/zinc/95/72/83/680957283.db2.gz ALBITVLABXLRPT-PWSUYJOCSA-N 1 1 357.407 2.125 20 5 FEBDMO CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000770016275 681003034 /nfs/dbraw/zinc/00/30/34/681003034.db2.gz MMYOBVBJFAGPMN-UHFFFAOYSA-N 1 1 356.810 2.169 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)[nH+]1 ZINC000771775389 681069332 /nfs/dbraw/zinc/06/93/32/681069332.db2.gz XZPIWZIZNLNTFR-UHFFFAOYSA-N 1 1 368.390 2.136 20 5 FEBDMO Cc1c(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844640984 681069729 /nfs/dbraw/zinc/06/97/29/681069729.db2.gz MMUUBEXGQFOWJN-USWWRNFRSA-N 1 1 350.375 2.365 20 5 FEBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000844643415 681070032 /nfs/dbraw/zinc/07/00/32/681070032.db2.gz RFIILMARVNXINP-QJPTWQEYSA-N 1 1 352.410 2.353 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000932702932 681291664 /nfs/dbraw/zinc/29/16/64/681291664.db2.gz ZBRKPTDUXIURGO-UHFFFAOYSA-N 1 1 351.451 2.070 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848509021 681566165 /nfs/dbraw/zinc/56/61/65/681566165.db2.gz RJAXNFMHXKLWAI-KBPBESRZSA-N 1 1 371.434 2.338 20 5 FEBDMO C[C@@H](NC(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000848587826 681584105 /nfs/dbraw/zinc/58/41/05/681584105.db2.gz YCUPVRXNEABKRF-LLVKDONJSA-N 1 1 355.341 2.333 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848587267 681584287 /nfs/dbraw/zinc/58/42/87/681584287.db2.gz HILGGZJEHRFBPW-GFCCVEGCSA-N 1 1 357.357 2.367 20 5 FEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCOC[C@@H]2CC2CCOCC2)cc1 ZINC000934638330 681604261 /nfs/dbraw/zinc/60/42/61/681604261.db2.gz MMGMEEQWXBPSSC-ROUUACIJSA-N 1 1 350.415 2.146 20 5 FEBDMO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCOC[C@@H]2CC2CCOCC2)cc1 ZINC000934638330 681604266 /nfs/dbraw/zinc/60/42/66/681604266.db2.gz MMGMEEQWXBPSSC-ROUUACIJSA-N 1 1 350.415 2.146 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000850364911 681892990 /nfs/dbraw/zinc/89/29/90/681892990.db2.gz YOGWGTWFRYMXTJ-UHFFFAOYSA-N 1 1 360.741 2.315 20 5 FEBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cnc(Br)n1 ZINC000852018721 682203965 /nfs/dbraw/zinc/20/39/65/682203965.db2.gz PVGCTLRUTDQZLF-UHFFFAOYSA-N 1 1 354.208 2.123 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000917082686 685529580 /nfs/dbraw/zinc/52/95/80/685529580.db2.gz YAJWSOUFVXFQGL-OLZOCXBDSA-N 1 1 350.375 2.342 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000917908864 685535610 /nfs/dbraw/zinc/53/56/10/685535610.db2.gz KDYDLMFIRHVIMY-NWDGAFQWSA-N 1 1 359.835 2.153 20 5 FEBDMO O=C(C[N@H+]1CCC[C@](O)(C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852502288 682291468 /nfs/dbraw/zinc/29/14/68/682291468.db2.gz FGEVEZOBWBSPHT-MRXNPFEDSA-N 1 1 353.806 2.424 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@](O)(C2CC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852502288 682291472 /nfs/dbraw/zinc/29/14/72/682291472.db2.gz FGEVEZOBWBSPHT-MRXNPFEDSA-N 1 1 353.806 2.424 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000918194034 685537860 /nfs/dbraw/zinc/53/78/60/685537860.db2.gz QJUFPXYBGNCKRG-NWDGAFQWSA-N 1 1 359.423 2.275 20 5 FEBDMO C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000790452282 682678949 /nfs/dbraw/zinc/67/89/49/682678949.db2.gz XGUDSVOEFNQOKR-ZDUSSCGKSA-N 1 1 359.423 2.133 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000790452282 682678952 /nfs/dbraw/zinc/67/89/52/682678952.db2.gz XGUDSVOEFNQOKR-ZDUSSCGKSA-N 1 1 359.423 2.133 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000791328822 682735017 /nfs/dbraw/zinc/73/50/17/682735017.db2.gz XIXHSCAWJGCEAT-TXEJJXNPSA-N 1 1 352.410 2.414 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000856283191 682760979 /nfs/dbraw/zinc/76/09/79/682760979.db2.gz PYETVBRZROFNTC-UHFFFAOYSA-N 1 1 351.432 2.450 20 5 FEBDMO C[C@H]1CSCC[N@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000792719844 682829913 /nfs/dbraw/zinc/82/99/13/682829913.db2.gz LKFIADBQYJDCAH-GFCCVEGCSA-N 1 1 364.427 2.006 20 5 FEBDMO C[C@H]1CSCC[N@@H+](CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000792719844 682829920 /nfs/dbraw/zinc/82/99/20/682829920.db2.gz LKFIADBQYJDCAH-GFCCVEGCSA-N 1 1 364.427 2.006 20 5 FEBDMO C[NH+]1CCN(CC2CN(c3ccc([N+](=O)[O-])cc3Br)C2)CC1 ZINC000858610890 682984682 /nfs/dbraw/zinc/98/46/82/682984682.db2.gz ISMVYBIFNBBYLT-UHFFFAOYSA-N 1 1 369.263 2.041 20 5 FEBDMO CC[N@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)c3ccc([N+](=O)[O-])s3)C2)[C@H]1C(C)C ZINC000926263156 683100360 /nfs/dbraw/zinc/10/03/60/683100360.db2.gz OQAKSPLTIVDRBQ-RYPCIWMOSA-N 1 1 367.471 2.256 20 5 FEBDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796164842 683135520 /nfs/dbraw/zinc/13/55/20/683135520.db2.gz ZKFDEXCIRPWQPM-JKSUJKDBSA-N 1 1 351.403 2.229 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@H+]1C ZINC000798173278 683317756 /nfs/dbraw/zinc/31/77/56/683317756.db2.gz WJDLVVPZWALBJN-NXEZZACHSA-N 1 1 371.235 2.307 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000921199707 683406180 /nfs/dbraw/zinc/40/61/80/683406180.db2.gz OSWIZLTWDPSFGF-ZDUSSCGKSA-N 1 1 355.822 2.335 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000930158926 683687173 /nfs/dbraw/zinc/68/71/73/683687173.db2.gz ARJUQYNBMBFDFL-HUUCEWRRSA-N 1 1 368.821 2.311 20 5 FEBDMO CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC[N+](=O)[O-])C2)C1 ZINC000930844184 683791980 /nfs/dbraw/zinc/79/19/80/683791980.db2.gz BQUZTIZVDOJEAE-ZNMIVQPWSA-N 1 1 357.451 2.047 20 5 FEBDMO CC(C)(O)C[N@H+]1CC[C@H](Nc2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000865997300 684058310 /nfs/dbraw/zinc/05/83/10/684058310.db2.gz XYSJXQWOGWRAJS-JTQLQIEISA-N 1 1 359.224 2.009 20 5 FEBDMO C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866340978 684093192 /nfs/dbraw/zinc/09/31/92/684093192.db2.gz JJXIRYJJRMBRSC-CABCVRRESA-N 1 1 352.454 2.281 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000931434086 684282421 /nfs/dbraw/zinc/28/24/21/684282421.db2.gz LZUGCNWDNCGPMQ-NEPJUHHUSA-N 1 1 352.822 2.070 20 5 FEBDMO C[C@H]1[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000924009047 684387374 /nfs/dbraw/zinc/38/73/74/684387374.db2.gz SLJGGJRLFAHWMM-CABZTGNLSA-N 1 1 371.235 2.249 20 5 FEBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000868926680 684558391 /nfs/dbraw/zinc/55/83/91/684558391.db2.gz DCENDRMRGFOOMA-GFCCVEGCSA-N 1 1 370.247 2.452 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1C ZINC000872663581 685000346 /nfs/dbraw/zinc/00/03/46/685000346.db2.gz KMAWBIAEOWSSOZ-CABCVRRESA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1C ZINC000872663581 685000348 /nfs/dbraw/zinc/00/03/48/685000348.db2.gz KMAWBIAEOWSSOZ-CABCVRRESA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000872665527 685001192 /nfs/dbraw/zinc/00/11/92/685001192.db2.gz ZYIGCYBVEIYEBB-QWHCGFSZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000872665527 685001193 /nfs/dbraw/zinc/00/11/93/685001193.db2.gz ZYIGCYBVEIYEBB-QWHCGFSZSA-N 1 1 373.862 2.414 20 5 FEBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000872720363 685008368 /nfs/dbraw/zinc/00/83/68/685008368.db2.gz NHPMSFIJQCVEKQ-VXGBXAGGSA-N 1 1 362.411 2.054 20 5 FEBDMO O=c1oc(-c2ccccc2[N+](=O)[O-])nn1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000872720363 685008370 /nfs/dbraw/zinc/00/83/70/685008370.db2.gz NHPMSFIJQCVEKQ-VXGBXAGGSA-N 1 1 362.411 2.054 20 5 FEBDMO O=C1N(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)CCN1c1ccccc1[N+](=O)[O-] ZINC000872720209 685008504 /nfs/dbraw/zinc/00/85/04/685008504.db2.gz JSYIGMYEOMDFCW-KGLIPLIRSA-N 1 1 362.455 2.479 20 5 FEBDMO C[C@@]([NH3+])(C(=O)N1CCO[C@@H](c2cccs2)C1)c1cccc([N+](=O)[O-])c1 ZINC000876627472 686232088 /nfs/dbraw/zinc/23/20/88/686232088.db2.gz HXPKVMLZKAGODI-PBHICJAKSA-N 1 1 361.423 2.430 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@H](c2nccs2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880318658 687033697 /nfs/dbraw/zinc/03/36/97/687033697.db2.gz KCYVGQWIYZNOKV-CYBMUJFWSA-N 1 1 358.423 2.430 20 5 FEBDMO O=C(C[N@H+]1CC[C@@H](c2nccs2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000880318658 687033700 /nfs/dbraw/zinc/03/37/00/687033700.db2.gz KCYVGQWIYZNOKV-CYBMUJFWSA-N 1 1 358.423 2.430 20 5 FEBDMO NC(=O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCOCC1 ZINC000880395056 687043944 /nfs/dbraw/zinc/04/39/44/687043944.db2.gz DYBDCGLVNFKGDI-UHFFFAOYSA-N 1 1 361.320 2.080 20 5 FEBDMO NC(=O)C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CCOCC1 ZINC000880395056 687043948 /nfs/dbraw/zinc/04/39/48/687043948.db2.gz DYBDCGLVNFKGDI-UHFFFAOYSA-N 1 1 361.320 2.080 20 5 FEBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@H+](CCF)C1 ZINC000882568274 687398567 /nfs/dbraw/zinc/39/85/67/687398567.db2.gz RTHRAFMDVADDSV-CYBMUJFWSA-N 1 1 350.394 2.333 20 5 FEBDMO O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000882568274 687398570 /nfs/dbraw/zinc/39/85/70/687398570.db2.gz RTHRAFMDVADDSV-CYBMUJFWSA-N 1 1 350.394 2.333 20 5 FEBDMO CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412362 688248473 /nfs/dbraw/zinc/24/84/73/688248473.db2.gz CYSYVXRVQFNNAM-CYBMUJFWSA-N 1 1 353.423 2.123 20 5 FEBDMO C[C@]1(Br)C[C@H]1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000894801419 689598957 /nfs/dbraw/zinc/59/89/57/689598957.db2.gz JBWCFKZPCZIECW-FZMZJTMJSA-N 1 1 355.236 2.285 20 5 FEBDMO C[C@H](Nc1cccc(Br)c1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895244920 689683292 /nfs/dbraw/zinc/68/32/92/689683292.db2.gz ATKKDTRDWLNFDV-GXFFZTMASA-N 1 1 357.252 2.404 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000896521571 689884545 /nfs/dbraw/zinc/88/45/45/689884545.db2.gz JQEBOYAUJOGGAW-GFCCVEGCSA-N 1 1 371.235 2.418 20 5 FEBDMO COc1cc(CN2CC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000904405348 691025287 /nfs/dbraw/zinc/02/52/87/691025287.db2.gz LCXKYULWTGEEJH-LLVKDONJSA-N 1 1 359.373 2.418 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000906978040 691358697 /nfs/dbraw/zinc/35/86/97/691358697.db2.gz VXYQJRVPJNHYIN-OAHLLOKOSA-N 1 1 367.833 2.114 20 5 FEBDMO C[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000485411763 719482361 /nfs/dbraw/zinc/48/23/61/719482361.db2.gz LOSGJIKHLAIZER-CVEARBPZSA-N 1 1 358.373 2.315 20 5 FEBDMO O=[N+]([O-])c1cccc2nc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)ccc21 ZINC001164966781 722071064 /nfs/dbraw/zinc/07/10/64/722071064.db2.gz BZYKSIDVQJKBHU-GASCZTMLSA-N 1 1 354.410 2.442 20 5 FEBDMO Cc1cc([N+](=O)[O-])cnc1NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000518660957 539440355 /nfs/dbraw/zinc/44/03/55/539440355.db2.gz MKUQSZYOJDFXCD-UHFFFAOYSA-N 1 1 356.430 2.317 20 5 FEBDMO Cc1nn(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)c1[N+](=O)[O-] ZINC000016626582 539634285 /nfs/dbraw/zinc/63/42/85/539634285.db2.gz AYLLVFHWBBWJFQ-HNNXBMFYSA-N 1 1 371.441 2.314 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000550141821 674083390 /nfs/dbraw/zinc/08/33/90/674083390.db2.gz JZFTYJOWIAMZGX-IRXDYDNUSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000550141821 674083392 /nfs/dbraw/zinc/08/33/92/674083392.db2.gz JZFTYJOWIAMZGX-IRXDYDNUSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000044533792 540130002 /nfs/dbraw/zinc/13/00/02/540130002.db2.gz FFHRVZLVRDKZEE-AWEZNQCLSA-N 1 1 357.414 2.242 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)Cc1ccccc1 ZINC000045279553 540208624 /nfs/dbraw/zinc/20/86/24/540208624.db2.gz DSRHHELHIAGDCO-HNNXBMFYSA-N 1 1 367.409 2.374 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)NCc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000045378047 540210985 /nfs/dbraw/zinc/21/09/85/540210985.db2.gz UKPLCHIUCXAXMG-KBPBESRZSA-N 1 1 364.446 2.282 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000051001858 540419154 /nfs/dbraw/zinc/41/91/54/540419154.db2.gz YNKBEAQTQXDZBC-CQSZACIVSA-N 1 1 362.430 2.080 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000051001858 540419156 /nfs/dbraw/zinc/41/91/56/540419156.db2.gz YNKBEAQTQXDZBC-CQSZACIVSA-N 1 1 362.430 2.080 20 5 FEBDMO CC(C)(C)NC(=O)C[N@@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051499951 540436292 /nfs/dbraw/zinc/43/62/92/540436292.db2.gz XLSVVSVAQHLGRH-UHFFFAOYSA-N 1 1 366.437 2.156 20 5 FEBDMO CC(C)(C)NC(=O)C[N@H+]1CCCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000051499951 540436294 /nfs/dbraw/zinc/43/62/94/540436294.db2.gz XLSVVSVAQHLGRH-UHFFFAOYSA-N 1 1 366.437 2.156 20 5 FEBDMO C[NH+]1CCN(C(=O)C2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)CC1 ZINC000052161185 540456714 /nfs/dbraw/zinc/45/67/14/540456714.db2.gz PYUIDZYXDCCHCB-UHFFFAOYSA-N 1 1 366.849 2.239 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000052950672 540501813 /nfs/dbraw/zinc/50/18/13/540501813.db2.gz BOSMOWLZRYXHHP-UHFFFAOYSA-N 1 1 362.430 2.063 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000052753737 540487350 /nfs/dbraw/zinc/48/73/50/540487350.db2.gz YINFLXIWZGWURL-ZDUSSCGKSA-N 1 1 363.414 2.433 20 5 FEBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1cccs1 ZINC000055216034 540636279 /nfs/dbraw/zinc/63/62/79/540636279.db2.gz OEFOFWQWKFTXNU-GFCCVEGCSA-N 1 1 373.431 2.377 20 5 FEBDMO COC(=O)c1cc(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000055400805 540650652 /nfs/dbraw/zinc/65/06/52/540650652.db2.gz RHHLESJHIAMAIY-QWHCGFSZSA-N 1 1 363.414 2.232 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000056240509 540713805 /nfs/dbraw/zinc/71/38/05/540713805.db2.gz QHPSSZBPRCWPCG-UONOGXRCSA-N 1 1 372.429 2.026 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000056786173 540745638 /nfs/dbraw/zinc/74/56/38/540745638.db2.gz DLUOZTHJOYZYPP-LSDHHAIUSA-N 1 1 363.462 2.426 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000058562638 540848806 /nfs/dbraw/zinc/84/88/06/540848806.db2.gz OQDQQRGGBCZHIS-ZIAGYGMSSA-N 1 1 355.460 2.444 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2)C1 ZINC000058395146 540841645 /nfs/dbraw/zinc/84/16/45/540841645.db2.gz BEWSZCUDFKZBPN-CYBMUJFWSA-N 1 1 358.402 2.057 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000060443111 541112123 /nfs/dbraw/zinc/11/21/23/541112123.db2.gz FKXJLKYRZZOJKA-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO CCC[NH+]1CCN(C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000061205674 541127730 /nfs/dbraw/zinc/12/77/30/541127730.db2.gz ZLROQEANUYSZHE-UHFFFAOYSA-N 1 1 351.403 2.170 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000063852982 541189188 /nfs/dbraw/zinc/18/91/88/541189188.db2.gz WZFGIWNVDOZBIS-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000065512348 541242288 /nfs/dbraw/zinc/24/22/88/541242288.db2.gz WWFABPZQJZYPJZ-MSOLQXFVSA-N 1 1 352.431 2.362 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000066196547 541289560 /nfs/dbraw/zinc/28/95/60/541289560.db2.gz UAHLRXDDIQABLV-OAHLLOKOSA-N 1 1 363.462 2.157 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)Cc1ccccc1 ZINC000066629909 541349958 /nfs/dbraw/zinc/34/99/58/541349958.db2.gz PGDBKCYCAPMOKD-UHFFFAOYSA-N 1 1 371.393 2.228 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000068999749 541647223 /nfs/dbraw/zinc/64/72/23/541647223.db2.gz XNFMPSCKRWAZFI-UHFFFAOYSA-N 1 1 371.441 2.224 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000071906055 541775155 /nfs/dbraw/zinc/77/51/55/541775155.db2.gz UTTAEPUVSQCSBO-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000072815577 541871890 /nfs/dbraw/zinc/87/18/90/541871890.db2.gz FRIWGVJNBHRIPY-GOSISDBHSA-N 1 1 369.425 2.183 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000072815577 541871894 /nfs/dbraw/zinc/87/18/94/541871894.db2.gz FRIWGVJNBHRIPY-GOSISDBHSA-N 1 1 369.425 2.183 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000076660585 542308152 /nfs/dbraw/zinc/30/81/52/542308152.db2.gz CNBDQEYHDMHBRN-AWEZNQCLSA-N 1 1 362.430 2.032 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC[N@H+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000077990331 542435866 /nfs/dbraw/zinc/43/58/66/542435866.db2.gz YWZHSVXHXQEQCK-UHFFFAOYSA-N 1 1 350.375 2.194 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000080543911 542594387 /nfs/dbraw/zinc/59/43/87/542594387.db2.gz QCVWQNJLUAIDNE-INIZCTEOSA-N 1 1 354.426 2.426 20 5 FEBDMO NC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090069757 542781912 /nfs/dbraw/zinc/78/19/12/542781912.db2.gz WNNZZTSWIGGHFR-UHFFFAOYSA-N 1 1 355.398 2.018 20 5 FEBDMO Cc1cccc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000089961880 542778354 /nfs/dbraw/zinc/77/83/54/542778354.db2.gz SQXHZIGDUYJUNF-SJORKVTESA-N 1 1 369.421 2.268 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000092765284 542886452 /nfs/dbraw/zinc/88/64/52/542886452.db2.gz JFHXEIKUBISSHH-MRXNPFEDSA-N 1 1 363.458 2.487 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc([N+](=O)[O-])c1F ZINC000093001673 542900949 /nfs/dbraw/zinc/90/09/49/542900949.db2.gz TZEQKRVTKSVUDA-AAEUAGOBSA-N 1 1 359.423 2.003 20 5 FEBDMO COC(=O)c1ccccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534198 542933698 /nfs/dbraw/zinc/93/36/98/542933698.db2.gz WMNXIZGMZWFGKV-CQSZACIVSA-N 1 1 356.382 2.463 20 5 FEBDMO COC(=O)c1ccccc1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534198 542933703 /nfs/dbraw/zinc/93/37/03/542933703.db2.gz WMNXIZGMZWFGKV-CQSZACIVSA-N 1 1 356.382 2.463 20 5 FEBDMO COc1ccc(-c2ccc(C[NH2+][C@H]3CCS(=O)(=O)C3)o2)c([N+](=O)[O-])c1 ZINC000102420191 543070001 /nfs/dbraw/zinc/07/00/01/543070001.db2.gz JCRIJRYOSRIVBS-NSHDSACASA-N 1 1 366.395 2.140 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)C1 ZINC000103006854 543088424 /nfs/dbraw/zinc/08/84/24/543088424.db2.gz OCGLTJPMARIQMJ-ZDUSSCGKSA-N 1 1 372.381 2.137 20 5 FEBDMO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104733185 543139812 /nfs/dbraw/zinc/13/98/12/543139812.db2.gz HAAMIEBRXAHMCI-LBPRGKRZSA-N 1 1 359.423 2.277 20 5 FEBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000104733185 543139815 /nfs/dbraw/zinc/13/98/15/543139815.db2.gz HAAMIEBRXAHMCI-LBPRGKRZSA-N 1 1 359.423 2.277 20 5 FEBDMO CCN1CC[NH+]([C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000106479585 543231563 /nfs/dbraw/zinc/23/15/63/543231563.db2.gz ZZRFOWVIODHPLP-QGZVFWFLSA-N 1 1 355.442 2.359 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1OC ZINC000108304993 543285955 /nfs/dbraw/zinc/28/59/55/543285955.db2.gz IZPIKRNGWZKBQR-ZDUSSCGKSA-N 1 1 363.414 2.216 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](CCCO)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000109747391 543335917 /nfs/dbraw/zinc/33/59/17/543335917.db2.gz SFDZBDCWVQWMPI-UHFFFAOYSA-N 1 1 353.419 2.272 20 5 FEBDMO O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000110953037 543375285 /nfs/dbraw/zinc/37/52/85/543375285.db2.gz LHYCGRHILRFWOK-HNNXBMFYSA-N 1 1 372.425 2.403 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000111635855 543410251 /nfs/dbraw/zinc/41/02/51/543410251.db2.gz FXXDQXUAMKRADW-ZDUSSCGKSA-N 1 1 358.398 2.041 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000113438299 543487964 /nfs/dbraw/zinc/48/79/64/543487964.db2.gz OJVTZAFZEMCXIH-CYBMUJFWSA-N 1 1 372.425 2.431 20 5 FEBDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000114188156 543507069 /nfs/dbraw/zinc/50/70/69/543507069.db2.gz GMQCETDYGNMJMD-ZBFHGGJFSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000114188156 543507071 /nfs/dbraw/zinc/50/70/71/543507071.db2.gz GMQCETDYGNMJMD-ZBFHGGJFSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000115433013 543566989 /nfs/dbraw/zinc/56/69/89/543566989.db2.gz OTEGSMULDOSHDB-CYBMUJFWSA-N 1 1 365.430 2.416 20 5 FEBDMO Cc1n[nH]c(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1[N+](=O)[O-] ZINC000116206339 543604250 /nfs/dbraw/zinc/60/42/50/543604250.db2.gz NRFAEWZQJMJPJP-GFCCVEGCSA-N 1 1 351.794 2.312 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3cccc4c3OCCO4)C2)nc1 ZINC000118866232 543660973 /nfs/dbraw/zinc/66/09/73/543660973.db2.gz FPXFAUVBGGMBAX-AWEZNQCLSA-N 1 1 356.382 2.447 20 5 FEBDMO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000122869638 543728409 /nfs/dbraw/zinc/72/84/09/543728409.db2.gz RRCYKHQFGYOPAK-YOEHRIQHSA-N 1 1 357.414 2.337 20 5 FEBDMO C[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000122869638 543728412 /nfs/dbraw/zinc/72/84/12/543728412.db2.gz RRCYKHQFGYOPAK-YOEHRIQHSA-N 1 1 357.414 2.337 20 5 FEBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000122585833 543711999 /nfs/dbraw/zinc/71/19/99/543711999.db2.gz BBIBHARUKWGVKB-INIZCTEOSA-N 1 1 357.414 2.048 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000123299999 543753167 /nfs/dbraw/zinc/75/31/67/543753167.db2.gz YJVFAOVVNOTMRA-UHFFFAOYSA-N 1 1 371.434 2.373 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000123377701 543758097 /nfs/dbraw/zinc/75/80/97/543758097.db2.gz ZEYRFTOGGGUEDA-NSHDSACASA-N 1 1 361.489 2.363 20 5 FEBDMO CCOC(=O)c1cc(C(=O)NCCCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000129784712 544127332 /nfs/dbraw/zinc/12/73/32/544127332.db2.gz IOTXHOGHFNFKPL-UHFFFAOYSA-N 1 1 374.397 2.487 20 5 FEBDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000133523207 544273460 /nfs/dbraw/zinc/27/34/60/544273460.db2.gz SCHJVOZNRQAUDW-UHFFFAOYSA-N 1 1 374.445 2.131 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000136070419 544365805 /nfs/dbraw/zinc/36/58/05/544365805.db2.gz COCLAZXLQVUUAB-ZDUSSCGKSA-N 1 1 357.414 2.480 20 5 FEBDMO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136070419 544365806 /nfs/dbraw/zinc/36/58/06/544365806.db2.gz COCLAZXLQVUUAB-ZDUSSCGKSA-N 1 1 357.414 2.480 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2n[nH]cc2[N+](=O)[O-])C1 ZINC000136070419 544365808 /nfs/dbraw/zinc/36/58/08/544365808.db2.gz COCLAZXLQVUUAB-ZDUSSCGKSA-N 1 1 357.414 2.480 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000137502527 544391271 /nfs/dbraw/zinc/39/12/71/544391271.db2.gz CPHDPUYWFPKIOT-IUODEOHRSA-N 1 1 357.414 2.030 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000142016871 544415758 /nfs/dbraw/zinc/41/57/58/544415758.db2.gz WHOWJPDUMRYHON-CYBMUJFWSA-N 1 1 363.414 2.312 20 5 FEBDMO COc1cccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000152648406 544678545 /nfs/dbraw/zinc/67/85/45/544678545.db2.gz LOFKSDYOTJQAJJ-UHFFFAOYSA-N 1 1 358.398 2.199 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000152877908 544706780 /nfs/dbraw/zinc/70/67/80/544706780.db2.gz ZCGHEGSYVHSLPQ-RWMBFGLXSA-N 1 1 351.403 2.166 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000152877908 544706785 /nfs/dbraw/zinc/70/67/85/544706785.db2.gz ZCGHEGSYVHSLPQ-RWMBFGLXSA-N 1 1 351.403 2.166 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1SC ZINC000153550877 544789747 /nfs/dbraw/zinc/78/97/47/544789747.db2.gz PSAXSVLOMDFPIZ-LLVKDONJSA-N 1 1 353.444 2.492 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000153571352 544793149 /nfs/dbraw/zinc/79/31/49/544793149.db2.gz YOFHELQXGBSPKR-OAHLLOKOSA-N 1 1 362.817 2.474 20 5 FEBDMO Cc1c(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000154427120 544905448 /nfs/dbraw/zinc/90/54/48/544905448.db2.gz SQHYHTSVNWVIJA-CQSZACIVSA-N 1 1 362.430 2.175 20 5 FEBDMO CNC(=O)CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000154962358 544971581 /nfs/dbraw/zinc/97/15/81/544971581.db2.gz CXFANAKIZIYSFQ-SNVBAGLBSA-N 1 1 356.810 2.033 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000553280060 674249917 /nfs/dbraw/zinc/24/99/17/674249917.db2.gz QDGURRWEURAHFF-STQMWFEESA-N 1 1 350.419 2.760 20 5 FEBDMO COC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184772768 327882767 /nfs/dbraw/zinc/88/27/67/327882767.db2.gz QAEHYGWZBUSBPB-ZIAGYGMSSA-N 1 1 350.371 2.213 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000187118747 328003186 /nfs/dbraw/zinc/00/31/86/328003186.db2.gz GYNWWBIFKNPQKO-AWEZNQCLSA-N 1 1 370.409 2.432 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C(N)=O)C1 ZINC000187451181 328026433 /nfs/dbraw/zinc/02/64/33/328026433.db2.gz WFXVUPSCWRVROJ-DOMZBBRYSA-N 1 1 358.398 2.378 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187903677 328053544 /nfs/dbraw/zinc/05/35/44/328053544.db2.gz MIVMSQVSNMEIAL-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000188033144 328061799 /nfs/dbraw/zinc/06/17/99/328061799.db2.gz WHZBBFHXBHPOCJ-YVEFUNNKSA-N 1 1 351.403 2.025 20 5 FEBDMO COC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000188351239 328082075 /nfs/dbraw/zinc/08/20/75/328082075.db2.gz FCEMYFFFAJESJU-SUMWQHHRSA-N 1 1 360.414 2.231 20 5 FEBDMO COC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000188351239 328082077 /nfs/dbraw/zinc/08/20/77/328082077.db2.gz FCEMYFFFAJESJU-SUMWQHHRSA-N 1 1 360.414 2.231 20 5 FEBDMO CCCN1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1=O ZINC000189418222 328147056 /nfs/dbraw/zinc/14/70/56/328147056.db2.gz FUZJAXLPXSSYIG-UHFFFAOYSA-N 1 1 362.430 2.176 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCNC(=O)[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000189785626 328167960 /nfs/dbraw/zinc/16/79/60/328167960.db2.gz LDSMLHUFENZBAP-MRXNPFEDSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCNC(=O)[C@H]2CC(C)C)cccc1[N+](=O)[O-] ZINC000189785626 328167961 /nfs/dbraw/zinc/16/79/61/328167961.db2.gz LDSMLHUFENZBAP-MRXNPFEDSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1[nH+]ccn1CCCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000189885162 328173847 /nfs/dbraw/zinc/17/38/47/328173847.db2.gz WVIMRJXSTLBJRX-UHFFFAOYSA-N 1 1 352.416 2.396 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190032857 328183805 /nfs/dbraw/zinc/18/38/05/328183805.db2.gz BZSGBWGUOLRJGN-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO COC(=O)c1cnc(N(C)CC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000190169990 328192347 /nfs/dbraw/zinc/19/23/47/328192347.db2.gz WOVXUFODUNWDJI-UHFFFAOYSA-N 1 1 350.419 2.477 20 5 FEBDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191479574 328267628 /nfs/dbraw/zinc/26/76/28/328267628.db2.gz LGROCIOTCIDUHS-KRWDZBQOSA-N 1 1 357.410 2.383 20 5 FEBDMO Cc1c(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)cccc1[N+](=O)[O-] ZINC000193722152 328391709 /nfs/dbraw/zinc/39/17/09/328391709.db2.gz HUHOUJOVVKNYHY-UHFFFAOYSA-N 1 1 357.414 2.487 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193790169 328395301 /nfs/dbraw/zinc/39/53/01/328395301.db2.gz AXPBRKHWFRRBQP-KRWDZBQOSA-N 1 1 371.441 2.128 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C(C)C)[NH+]1CCOCC1 ZINC000043149457 324540543 /nfs/dbraw/zinc/54/05/43/324540543.db2.gz FUAWJRBOHRHZGA-MRXNPFEDSA-N 1 1 350.419 2.382 20 5 FEBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000052892115 324724767 /nfs/dbraw/zinc/72/47/67/324724767.db2.gz HLZBJUZUTIVKJO-UHFFFAOYSA-N 1 1 355.460 2.337 20 5 FEBDMO CCC[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000804586417 674293042 /nfs/dbraw/zinc/29/30/42/674293042.db2.gz BWHVJHGHLKTXTM-CYBMUJFWSA-N 1 1 352.391 2.440 20 5 FEBDMO CCC[C@@H]1CN(c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000804586417 674293043 /nfs/dbraw/zinc/29/30/43/674293043.db2.gz BWHVJHGHLKTXTM-CYBMUJFWSA-N 1 1 352.391 2.440 20 5 FEBDMO C[NH+]1CCN([C@@H]2CCCCN(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000091689202 325390156 /nfs/dbraw/zinc/39/01/56/325390156.db2.gz BCPAWCWQRBGIMF-QPGLYAHGSA-N 1 1 372.469 2.237 20 5 FEBDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000117727123 326068674 /nfs/dbraw/zinc/06/86/74/326068674.db2.gz FFGBUDLOSUWENJ-ZDUSSCGKSA-N 1 1 358.402 2.199 20 5 FEBDMO COC(=O)c1ccc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000118866774 326110065 /nfs/dbraw/zinc/11/00/65/326110065.db2.gz PMKHOUFCKBLCKV-HNNXBMFYSA-N 1 1 356.382 2.463 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119730646 326192628 /nfs/dbraw/zinc/19/26/28/326192628.db2.gz NILABHXGIIGGQW-HIFRSBDPSA-N 1 1 362.430 2.030 20 5 FEBDMO O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000119841765 326204141 /nfs/dbraw/zinc/20/41/41/326204141.db2.gz QIMKUMPJAKWJGH-GOSISDBHSA-N 1 1 359.426 2.123 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121434005 326338179 /nfs/dbraw/zinc/33/81/79/326338179.db2.gz VOGJYEYNTUYCOB-UHFFFAOYSA-N 1 1 374.441 2.176 20 5 FEBDMO C[NH+](C)CCC1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000121651151 326354987 /nfs/dbraw/zinc/35/49/87/326354987.db2.gz LNAFGMLVMFNKED-GOSISDBHSA-N 1 1 360.458 2.364 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000124597869 326456763 /nfs/dbraw/zinc/45/67/63/326456763.db2.gz PBVAHRPQGNPTTP-MCIONIFRSA-N 1 1 363.418 2.095 20 5 FEBDMO CCOc1ccc([C@H](C)[NH2+][C@H](C)CN2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000153674309 326739364 /nfs/dbraw/zinc/73/93/64/326739364.db2.gz DLZYZZWKQQRBMN-CABCVRRESA-N 1 1 350.463 2.280 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000157493016 326866872 /nfs/dbraw/zinc/86/68/72/326866872.db2.gz AGHKGZJGEFIIOI-CYBMUJFWSA-N 1 1 360.418 2.147 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccco1 ZINC000161056495 326986334 /nfs/dbraw/zinc/98/63/34/326986334.db2.gz SKJCJBUPALKLRN-INIZCTEOSA-N 1 1 369.381 2.406 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000162776571 327034436 /nfs/dbraw/zinc/03/44/36/327034436.db2.gz CTYYLLNSUQIJEF-INIZCTEOSA-N 1 1 369.487 2.321 20 5 FEBDMO CC[NH+]1CCN(C(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 ZINC000163021048 327040612 /nfs/dbraw/zinc/04/06/12/327040612.db2.gz XVQZIKVMCFENIQ-UHFFFAOYSA-N 1 1 356.220 2.443 20 5 FEBDMO COc1cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000164275079 327067718 /nfs/dbraw/zinc/06/77/18/327067718.db2.gz WDGBWYUCHKODJR-TZMCWYRMSA-N 1 1 363.414 2.168 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCCO1 ZINC000172173158 327185575 /nfs/dbraw/zinc/18/55/75/327185575.db2.gz GWKCFPMULRHLNL-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172604015 327210700 /nfs/dbraw/zinc/21/07/00/327210700.db2.gz ASZBMNZFCDRGQW-ZFWWWQNUSA-N 1 1 357.414 2.193 20 5 FEBDMO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1([NH+]2CCOCC2)CCCC1 ZINC000173179198 327239668 /nfs/dbraw/zinc/23/96/68/327239668.db2.gz VNSALSYVYHOPQE-LBPRGKRZSA-N 1 1 353.444 2.420 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000174201313 327312662 /nfs/dbraw/zinc/31/26/62/327312662.db2.gz AJRDUZCBRNIAIQ-GFCCVEGCSA-N 1 1 353.806 2.043 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000174477909 327329621 /nfs/dbraw/zinc/32/96/21/327329621.db2.gz PSNBCUVDQXSVOF-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO C[N@H+](Cc1ccc(Br)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174656001 327341794 /nfs/dbraw/zinc/34/17/94/327341794.db2.gz CTKHKSHJGFYEPG-CQSZACIVSA-N 1 1 369.219 2.047 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000174772798 327350025 /nfs/dbraw/zinc/35/00/25/327350025.db2.gz ZTZABZHEAQMNDO-RHSMWYFYSA-N 1 1 360.458 2.146 20 5 FEBDMO Cc1nn(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(C)c1[N+](=O)[O-] ZINC000174992343 327366249 /nfs/dbraw/zinc/36/62/49/327366249.db2.gz OHQPZLKWOOQHHQ-CVEARBPZSA-N 1 1 363.462 2.272 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175397896 327390817 /nfs/dbraw/zinc/39/08/17/327390817.db2.gz OSCRNLDQKSACHD-HNNXBMFYSA-N 1 1 355.460 2.262 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000175398328 327390860 /nfs/dbraw/zinc/39/08/60/327390860.db2.gz ABTCALYLDLHBTL-LBPRGKRZSA-N 1 1 361.851 2.353 20 5 FEBDMO Cc1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000264381637 329016408 /nfs/dbraw/zinc/01/64/08/329016408.db2.gz FNCLBTCEKYBYBB-KRWDZBQOSA-N 1 1 360.458 2.145 20 5 FEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265920577 329172738 /nfs/dbraw/zinc/17/27/38/329172738.db2.gz CAQIJLIYKIAPRA-AAEUAGOBSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc([N+](=O)[O-])c1OC ZINC000265986809 329179381 /nfs/dbraw/zinc/17/93/81/329179381.db2.gz KVRHHJQCCWMCBM-YPMHNXCESA-N 1 1 351.403 2.024 20 5 FEBDMO C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000266205667 329200237 /nfs/dbraw/zinc/20/02/37/329200237.db2.gz KRMSAPXBILTZEX-CQSZACIVSA-N 1 1 369.425 2.190 20 5 FEBDMO Cc1n[nH]c(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323289 329211396 /nfs/dbraw/zinc/21/13/96/329211396.db2.gz HMPKYTXSZRKTLE-CYBMUJFWSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323289 329211397 /nfs/dbraw/zinc/21/13/97/329211397.db2.gz HMPKYTXSZRKTLE-CYBMUJFWSA-N 1 1 357.414 2.363 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000266323289 329211398 /nfs/dbraw/zinc/21/13/98/329211398.db2.gz HMPKYTXSZRKTLE-CYBMUJFWSA-N 1 1 357.414 2.363 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566487 329236872 /nfs/dbraw/zinc/23/68/72/329236872.db2.gz RLQDHQZYPFLRAC-ZIAGYGMSSA-N 1 1 363.414 2.311 20 5 FEBDMO CCc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000266910590 329271898 /nfs/dbraw/zinc/27/18/98/329271898.db2.gz JEBMAUBGIQZSAN-UHFFFAOYSA-N 1 1 362.474 2.255 20 5 FEBDMO CCc1ccc(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000266910590 329271900 /nfs/dbraw/zinc/27/19/00/329271900.db2.gz JEBMAUBGIQZSAN-UHFFFAOYSA-N 1 1 362.474 2.255 20 5 FEBDMO CCOC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000267064819 329288225 /nfs/dbraw/zinc/28/82/25/329288225.db2.gz JMWINYXNDDYGTL-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO CCOC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000267064819 329288227 /nfs/dbraw/zinc/28/82/27/329288227.db2.gz JMWINYXNDDYGTL-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1cccc([C@H](CNC(=O)c2cc(O)cc([N+](=O)[O-])c2)[NH+](C)C)c1 ZINC000269159354 329491595 /nfs/dbraw/zinc/49/15/95/329491595.db2.gz WWERVPMQZCDGJU-KRWDZBQOSA-N 1 1 359.382 2.342 20 5 FEBDMO Cc1cc([N+](=O)[O-])cnc1NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000271370532 329688410 /nfs/dbraw/zinc/68/84/10/329688410.db2.gz WALCQFLRIZIRTD-UHFFFAOYSA-N 1 1 369.425 2.298 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]CCSCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000272515385 329787114 /nfs/dbraw/zinc/78/71/14/329787114.db2.gz JZLYZQIPPPFIRK-HNNXBMFYSA-N 1 1 350.444 2.123 20 5 FEBDMO COc1ccsc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273497276 329869437 /nfs/dbraw/zinc/86/94/37/329869437.db2.gz OMBDPVABPPFELN-UHFFFAOYSA-N 1 1 356.425 2.228 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C)c1nnc(C)s1 ZINC000273616748 329879310 /nfs/dbraw/zinc/87/93/10/329879310.db2.gz PNSSBIHZLKSVSR-VIFPVBQESA-N 1 1 365.415 2.443 20 5 FEBDMO O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000275078842 330008059 /nfs/dbraw/zinc/00/80/59/330008059.db2.gz CTUSBFWEQOKGAV-SECBINFHSA-N 1 1 372.303 2.236 20 5 FEBDMO COCCC[N@@H+](CCOC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275425121 330047295 /nfs/dbraw/zinc/04/72/95/330047295.db2.gz DBSKNSCIYJPABB-UHFFFAOYSA-N 1 1 357.382 2.047 20 5 FEBDMO C[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@]1(c2ccccc2)CCCCC1=O ZINC000276279725 330136602 /nfs/dbraw/zinc/13/66/02/330136602.db2.gz FEEBDVTYOVILLX-MJGOQNOKSA-N 1 1 372.425 2.123 20 5 FEBDMO COC(=O)[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000276394354 330148366 /nfs/dbraw/zinc/14/83/66/330148366.db2.gz CLLGBXNWSMFEMR-DGCLKSJQSA-N 1 1 352.387 2.243 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C[C@H]1C ZINC000276394354 330148367 /nfs/dbraw/zinc/14/83/67/330148367.db2.gz CLLGBXNWSMFEMR-DGCLKSJQSA-N 1 1 352.387 2.243 20 5 FEBDMO CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000367251347 330236474 /nfs/dbraw/zinc/23/64/74/330236474.db2.gz FRWNBIOPBZOPOQ-LLVKDONJSA-N 1 1 361.377 2.380 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000411390701 330257349 /nfs/dbraw/zinc/25/73/49/330257349.db2.gz ARCOFNQLPFOQIT-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C[NH+]1CCOCC1 ZINC000414054648 330258251 /nfs/dbraw/zinc/25/82/51/330258251.db2.gz UYOHMDZNQQITLP-UHFFFAOYSA-N 1 1 369.849 2.360 20 5 FEBDMO [NH3+]C1CCN(CCCC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433152527 330273698 /nfs/dbraw/zinc/27/36/98/330273698.db2.gz MJLLMHIDCFLNKH-UHFFFAOYSA-N 1 1 362.474 2.237 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CC1 ZINC000804679858 674296809 /nfs/dbraw/zinc/29/68/09/674296809.db2.gz GDOXQFRRYJJRGI-UHFFFAOYSA-N 1 1 364.427 2.345 20 5 FEBDMO O=C(NC1CC1)c1ccc(C[N@H+](CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000157586580 545758090 /nfs/dbraw/zinc/75/80/90/545758090.db2.gz BDDLJJDSVQJCCQ-UHFFFAOYSA-N 1 1 369.425 2.348 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C[C@H]2CCC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000159529108 545960708 /nfs/dbraw/zinc/96/07/08/545960708.db2.gz AXIUHDADXAWVRA-WBMJQRKESA-N 1 1 351.403 2.025 20 5 FEBDMO CCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC(=O)N(C)C ZINC000165733149 546153407 /nfs/dbraw/zinc/15/34/07/546153407.db2.gz ATPXLEKRQRZCKD-UHFFFAOYSA-N 1 1 350.419 2.032 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000480390898 561208313 /nfs/dbraw/zinc/20/83/13/561208313.db2.gz DETNLTMRTRKUSR-ZDUSSCGKSA-N 1 1 355.398 2.208 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000480390898 561208314 /nfs/dbraw/zinc/20/83/14/561208314.db2.gz DETNLTMRTRKUSR-ZDUSSCGKSA-N 1 1 355.398 2.208 20 5 FEBDMO O=C([C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000178003006 546721234 /nfs/dbraw/zinc/72/12/34/546721234.db2.gz MZAPTHPLMVFNHF-AWEZNQCLSA-N 1 1 367.833 2.319 20 5 FEBDMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1)N1CCOCC1 ZINC000178003006 546721235 /nfs/dbraw/zinc/72/12/35/546721235.db2.gz MZAPTHPLMVFNHF-AWEZNQCLSA-N 1 1 367.833 2.319 20 5 FEBDMO CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481617554 561237496 /nfs/dbraw/zinc/23/74/96/561237496.db2.gz UNVUPPQHGUHWOY-QWHCGFSZSA-N 1 1 362.430 2.158 20 5 FEBDMO C[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000179473783 546960237 /nfs/dbraw/zinc/96/02/37/546960237.db2.gz PPFGVSPBNZFANO-SJORKVTESA-N 1 1 368.393 2.095 20 5 FEBDMO C[N@@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2ccccc2C1 ZINC000181542471 547331630 /nfs/dbraw/zinc/33/16/30/547331630.db2.gz PXUFHDFDVMQKMN-UHFFFAOYSA-N 1 1 355.350 2.416 20 5 FEBDMO C[N@H+]1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)c2ccccc2C1 ZINC000181542471 547331634 /nfs/dbraw/zinc/33/16/34/547331634.db2.gz PXUFHDFDVMQKMN-UHFFFAOYSA-N 1 1 355.350 2.416 20 5 FEBDMO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182672028 547530962 /nfs/dbraw/zinc/53/09/62/547530962.db2.gz PTPKWJSLDWWERJ-JTQLQIEISA-N 1 1 357.794 2.460 20 5 FEBDMO CCOC(=O)C[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182672028 547530967 /nfs/dbraw/zinc/53/09/67/547530967.db2.gz PTPKWJSLDWWERJ-JTQLQIEISA-N 1 1 357.794 2.460 20 5 FEBDMO Cc1ccc(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000183893091 547735201 /nfs/dbraw/zinc/73/52/01/547735201.db2.gz WANVHTHSMDYKJV-UHFFFAOYSA-N 1 1 363.462 2.441 20 5 FEBDMO CC[N@@H+](CCO)CCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000183924329 547740413 /nfs/dbraw/zinc/74/04/13/547740413.db2.gz MZTNWZXIMCJOTR-UHFFFAOYSA-N 1 1 372.425 2.382 20 5 FEBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000184924430 547901775 /nfs/dbraw/zinc/90/17/75/547901775.db2.gz VZEPJHWPOPCXJO-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO CC[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000184924430 547901778 /nfs/dbraw/zinc/90/17/78/547901778.db2.gz VZEPJHWPOPCXJO-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO CC(C)OCC[NH+]1CCN(C(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000185418174 547982170 /nfs/dbraw/zinc/98/21/70/547982170.db2.gz AFZJNCROXYIJNO-CQSZACIVSA-N 1 1 367.421 2.407 20 5 FEBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000185877931 548048745 /nfs/dbraw/zinc/04/87/45/548048745.db2.gz FBRVYDDLSZVHAP-DZGCQCFKSA-N 1 1 353.444 2.231 20 5 FEBDMO CCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186335697 548121195 /nfs/dbraw/zinc/12/11/95/548121195.db2.gz KTXDGZPNVJIWCZ-MRXNPFEDSA-N 1 1 371.441 2.373 20 5 FEBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000186924742 548221059 /nfs/dbraw/zinc/22/10/59/548221059.db2.gz KBQSZIIIMHKRRL-NSHDSACASA-N 1 1 355.822 2.165 20 5 FEBDMO C[C@]1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCC[N@H+]1Cc1ccccc1 ZINC000194035950 548425878 /nfs/dbraw/zinc/42/58/78/548425878.db2.gz QESAJOOGAYVKHK-LJQANCHMSA-N 1 1 370.409 2.480 20 5 FEBDMO Nc1c(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000194746395 548526727 /nfs/dbraw/zinc/52/67/27/548526727.db2.gz JQPYROALLMUKSC-OAHLLOKOSA-N 1 1 354.410 2.429 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194752031 548527794 /nfs/dbraw/zinc/52/77/94/548527794.db2.gz XZOHKPJWNWKESY-OAHLLOKOSA-N 1 1 354.410 2.429 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000195079887 548573945 /nfs/dbraw/zinc/57/39/45/548573945.db2.gz HNFYWJNEFALNER-CYBMUJFWSA-N 1 1 363.414 2.312 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000195079887 548573950 /nfs/dbraw/zinc/57/39/50/548573950.db2.gz HNFYWJNEFALNER-CYBMUJFWSA-N 1 1 363.414 2.312 20 5 FEBDMO Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000195303277 548617864 /nfs/dbraw/zinc/61/78/64/548617864.db2.gz GMJJTVQIHZMKLT-AWEZNQCLSA-N 1 1 357.414 2.493 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)n1 ZINC000487264084 561366862 /nfs/dbraw/zinc/36/68/62/561366862.db2.gz BCVLPNJJWSIZHM-UHFFFAOYSA-N 1 1 359.386 2.198 20 5 FEBDMO CN(C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000487441103 561369974 /nfs/dbraw/zinc/36/99/74/561369974.db2.gz FJGKGDNIAPNGGI-CQSZACIVSA-N 1 1 355.398 2.089 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000245441634 548922351 /nfs/dbraw/zinc/92/23/51/548922351.db2.gz VOUIMRSBPQMIER-YJBOKZPZSA-N 1 1 360.458 2.364 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245528504 548939870 /nfs/dbraw/zinc/93/98/70/548939870.db2.gz BLWIBNRTBMCNRT-CXAGYDPISA-N 1 1 365.430 2.415 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245528504 548939873 /nfs/dbraw/zinc/93/98/73/548939873.db2.gz BLWIBNRTBMCNRT-CXAGYDPISA-N 1 1 365.430 2.415 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245545111 548943435 /nfs/dbraw/zinc/94/34/35/548943435.db2.gz LOMFNIVHWFRRPC-MLGOLLRUSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000245545111 548943436 /nfs/dbraw/zinc/94/34/36/548943436.db2.gz LOMFNIVHWFRRPC-MLGOLLRUSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1n1ccnc1 ZINC000245602195 548956318 /nfs/dbraw/zinc/95/63/18/548956318.db2.gz MOETYOGWRVILBU-FHLIZLRMSA-N 1 1 369.425 2.480 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1CC ZINC000246127111 549058553 /nfs/dbraw/zinc/05/85/53/549058553.db2.gz JJHDEDZOXVDWHV-GDBMZVCRSA-N 1 1 367.471 2.405 20 5 FEBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246229182 549084470 /nfs/dbraw/zinc/08/44/70/549084470.db2.gz FPNARGLNIMPHRW-RHSMWYFYSA-N 1 1 360.414 2.077 20 5 FEBDMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000246454254 549136717 /nfs/dbraw/zinc/13/67/17/549136717.db2.gz BZTCFVVIWWLIRN-MJGOQNOKSA-N 1 1 369.421 2.208 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000246478347 549141801 /nfs/dbraw/zinc/14/18/01/549141801.db2.gz WOHPZSBDZABNIV-NEPJUHHUSA-N 1 1 373.862 2.496 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246691583 549190178 /nfs/dbraw/zinc/19/01/78/549190178.db2.gz DCFCOTVZLVMVEN-BBRMVZONSA-N 1 1 364.446 2.044 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCC[NH+]1CCSCC1 ZINC000488915118 561399526 /nfs/dbraw/zinc/39/95/26/561399526.db2.gz JTLOHKKTILVKBS-NSHDSACASA-N 1 1 373.862 2.181 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000247018631 549266320 /nfs/dbraw/zinc/26/63/20/549266320.db2.gz ZJXVNPXCRRYJQK-AHIWAGSCSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000247018631 549266326 /nfs/dbraw/zinc/26/63/26/549266326.db2.gz ZJXVNPXCRRYJQK-AHIWAGSCSA-N 1 1 363.414 2.431 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247199128 549298421 /nfs/dbraw/zinc/29/84/21/549298421.db2.gz WEWOTGNAPFUIQQ-ZFWWWQNUSA-N 1 1 353.444 2.008 20 5 FEBDMO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000247318664 549316730 /nfs/dbraw/zinc/31/67/30/549316730.db2.gz INVRBEHLYQWUNK-UONOGXRCSA-N 1 1 355.460 2.135 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000247654897 549368795 /nfs/dbraw/zinc/36/87/95/549368795.db2.gz WYGRROWAOAOVBP-FZMZJTMJSA-N 1 1 373.862 2.353 20 5 FEBDMO CC[C@@]1(CO)CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000249548343 549603394 /nfs/dbraw/zinc/60/33/94/549603394.db2.gz GZTMTJMSUWGMCC-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@@]1(CO)CCC[N@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000249548343 549603396 /nfs/dbraw/zinc/60/33/96/549603396.db2.gz GZTMTJMSUWGMCC-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000252653419 549676001 /nfs/dbraw/zinc/67/60/01/549676001.db2.gz YUBSJNOUHRJOIL-BJZITVGISA-N 1 1 359.426 2.327 20 5 FEBDMO CCN(CC)C(=O)C[N@H+]1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255322822 549704868 /nfs/dbraw/zinc/70/48/68/549704868.db2.gz NOSHYHKBYCXZLJ-YFHOEESVSA-N 1 1 374.485 2.484 20 5 FEBDMO CCN(CC)C(=O)CN1CCCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255322822 549704871 /nfs/dbraw/zinc/70/48/71/549704871.db2.gz NOSHYHKBYCXZLJ-YFHOEESVSA-N 1 1 374.485 2.484 20 5 FEBDMO O=C(CCCNc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261913992 549769438 /nfs/dbraw/zinc/76/94/38/549769438.db2.gz HWWLRWUSEAXIIX-SFHVURJKSA-N 1 1 369.425 2.355 20 5 FEBDMO Cc1nn(CCC(=O)NCCC[N@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263652062 549913807 /nfs/dbraw/zinc/91/38/07/549913807.db2.gz HHQOCORTMVYWDR-UHFFFAOYSA-N 1 1 373.457 2.437 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000264080384 549976898 /nfs/dbraw/zinc/97/68/98/549976898.db2.gz ZKYPQJPOZONACD-UHFFFAOYSA-N 1 1 353.444 2.493 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@H]21 ZINC000268831399 550121282 /nfs/dbraw/zinc/12/12/82/550121282.db2.gz MKVMUJTULZBPTE-UKRRQHHQSA-N 1 1 360.414 2.472 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])cc3N3CCOC3=O)CC[C@H]21 ZINC000268831393 550121670 /nfs/dbraw/zinc/12/16/70/550121670.db2.gz MKVMUJTULZBPTE-DZGCQCFKSA-N 1 1 360.414 2.472 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000268907518 550129835 /nfs/dbraw/zinc/12/98/35/550129835.db2.gz LSCNLTLPQBGXHE-CABCVRRESA-N 1 1 362.430 2.229 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)n1 ZINC000270787561 550306946 /nfs/dbraw/zinc/30/69/46/550306946.db2.gz LJDAPQTXRZVSEE-UHFFFAOYSA-N 1 1 371.441 2.109 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272410109 550445015 /nfs/dbraw/zinc/44/50/15/550445015.db2.gz CBHVFQDPMDSCOA-YPMHNXCESA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272410109 550445017 /nfs/dbraw/zinc/44/50/17/550445017.db2.gz CBHVFQDPMDSCOA-YPMHNXCESA-N 1 1 373.862 2.271 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000272531807 550456285 /nfs/dbraw/zinc/45/62/85/550456285.db2.gz NCTXXXLLHWKDPE-DLBZAZTESA-N 1 1 360.414 2.203 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000272571131 550458569 /nfs/dbraw/zinc/45/85/69/550458569.db2.gz LGOUUQODUJRDGR-NHYWBVRUSA-N 1 1 352.822 2.484 20 5 FEBDMO CC(C)(C)n1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000273545803 550502557 /nfs/dbraw/zinc/50/25/57/550502557.db2.gz XUJBBCMQIVRPOD-UHFFFAOYSA-N 1 1 366.443 2.110 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277019822 550622620 /nfs/dbraw/zinc/62/26/20/550622620.db2.gz AIZHBPBYCNREGB-RKNYENMMSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000277019822 550622621 /nfs/dbraw/zinc/62/26/21/550622621.db2.gz AIZHBPBYCNREGB-RKNYENMMSA-N 1 1 353.444 2.075 20 5 FEBDMO CCNC(=O)C1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277202418 550642712 /nfs/dbraw/zinc/64/27/12/550642712.db2.gz JNBOXDLIPIHRKT-INIZCTEOSA-N 1 1 371.441 2.314 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277581331 550687372 /nfs/dbraw/zinc/68/73/72/550687372.db2.gz UCNFJJTUPVGLTC-ZDUSSCGKSA-N 1 1 366.418 2.226 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000278350620 550775789 /nfs/dbraw/zinc/77/57/89/550775789.db2.gz AVKOJJNCXHWGKL-CYBMUJFWSA-N 1 1 371.384 2.304 20 5 FEBDMO C[N@H+]1CCCN(C(=O)NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000278381973 550779271 /nfs/dbraw/zinc/77/92/71/550779271.db2.gz ATNIWQPZOFFNQX-UHFFFAOYSA-N 1 1 360.336 2.461 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)NCc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC[C@H]21 ZINC000278640912 550807189 /nfs/dbraw/zinc/80/71/89/550807189.db2.gz JBDMGXLYDYOICR-BLLLJJGKSA-N 1 1 372.429 2.097 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000279158229 550859920 /nfs/dbraw/zinc/85/99/20/550859920.db2.gz FMCFQUFRFKJJKF-CYBMUJFWSA-N 1 1 372.425 2.401 20 5 FEBDMO O=C1C[C@]2(CC[N@H+](Cc3csc(-c4cccc([N+](=O)[O-])c4)n3)C2)CN1 ZINC000279395776 550885520 /nfs/dbraw/zinc/88/55/20/550885520.db2.gz KOLCWRVILFEDEN-QGZVFWFLSA-N 1 1 358.423 2.430 20 5 FEBDMO C[C@@H]1OCC[C@@]12C[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000279600329 550907418 /nfs/dbraw/zinc/90/74/18/550907418.db2.gz DLCWYGIYUWINLM-IFXJQAMLSA-N 1 1 372.425 2.375 20 5 FEBDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)CCO2 ZINC000279600329 550907420 /nfs/dbraw/zinc/90/74/20/550907420.db2.gz DLCWYGIYUWINLM-IFXJQAMLSA-N 1 1 372.425 2.375 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000279745549 550924379 /nfs/dbraw/zinc/92/43/79/550924379.db2.gz KXFZMTXXZCJJPD-DEYYWGMASA-N 1 1 366.414 2.251 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c([N+](=O)[O-])c1 ZINC000279745549 550924380 /nfs/dbraw/zinc/92/43/80/550924380.db2.gz KXFZMTXXZCJJPD-DEYYWGMASA-N 1 1 366.414 2.251 20 5 FEBDMO CC(C)(C)[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000495471498 561488655 /nfs/dbraw/zinc/48/86/55/561488655.db2.gz YJLVLJNERPWBDK-DJIMGWMZSA-N 1 1 352.431 2.063 20 5 FEBDMO CC[C@@H](C)[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(=O)OC ZINC000281191480 551072494 /nfs/dbraw/zinc/07/24/94/551072494.db2.gz BSYVVUCPERMFFX-LLVKDONJSA-N 1 1 355.366 2.336 20 5 FEBDMO C[C@H](c1ccccc1)[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(N)=O ZINC000283194017 551326688 /nfs/dbraw/zinc/32/66/88/551326688.db2.gz FWMVLRRSRYGHSQ-CQSZACIVSA-N 1 1 370.409 2.472 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cncc4ccccc43)CC2)c1 ZINC000283334547 551349610 /nfs/dbraw/zinc/34/96/10/551349610.db2.gz ZHBZNXQGAMDCSS-UHFFFAOYSA-N 1 1 352.398 2.162 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(Cc3cc([N+](=O)[O-])ccc3OC(F)F)[C@H]2C1 ZINC000284641695 551596631 /nfs/dbraw/zinc/59/66/31/551596631.db2.gz OBWIAWDRKYHZEK-DZGCQCFKSA-N 1 1 357.357 2.101 20 5 FEBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000285417454 551753023 /nfs/dbraw/zinc/75/30/23/551753023.db2.gz BRNMXFJRMWULDT-ARFHVFGLSA-N 1 1 352.431 2.350 20 5 FEBDMO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286044630 551842124 /nfs/dbraw/zinc/84/21/24/551842124.db2.gz QWQOZTSJLBSAFB-GOEBONIOSA-N 1 1 370.471 2.384 20 5 FEBDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286044630 551842125 /nfs/dbraw/zinc/84/21/25/551842125.db2.gz QWQOZTSJLBSAFB-GOEBONIOSA-N 1 1 370.471 2.384 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286270712 551867748 /nfs/dbraw/zinc/86/77/48/551867748.db2.gz UBIARZSNJSBACV-HNNXBMFYSA-N 1 1 359.386 2.492 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286270712 551867749 /nfs/dbraw/zinc/86/77/49/551867749.db2.gz UBIARZSNJSBACV-HNNXBMFYSA-N 1 1 359.386 2.492 20 5 FEBDMO C[N@H+]1CCN(CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1(C)C ZINC000286621556 551907207 /nfs/dbraw/zinc/90/72/07/551907207.db2.gz YUIAKJCBUYAVMM-UHFFFAOYSA-N 1 1 350.448 2.037 20 5 FEBDMO CN1CC[N@H+](CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1(C)C ZINC000286621556 551907209 /nfs/dbraw/zinc/90/72/09/551907209.db2.gz YUIAKJCBUYAVMM-UHFFFAOYSA-N 1 1 350.448 2.037 20 5 FEBDMO CN1CC[N@@H+](CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1(C)C ZINC000286621556 551907211 /nfs/dbraw/zinc/90/72/11/551907211.db2.gz YUIAKJCBUYAVMM-UHFFFAOYSA-N 1 1 350.448 2.037 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000288823523 552219251 /nfs/dbraw/zinc/21/92/51/552219251.db2.gz IJERFZIRCGTCTO-IRXDYDNUSA-N 1 1 373.457 2.415 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000289893942 552395684 /nfs/dbraw/zinc/39/56/84/552395684.db2.gz TYLFVOZDGFLLBY-OLZOCXBDSA-N 1 1 350.419 2.076 20 5 FEBDMO CN(C)c1cc(NC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000500416200 561572266 /nfs/dbraw/zinc/57/22/66/561572266.db2.gz OPNSJXXVCYBKRP-UHFFFAOYSA-N 1 1 352.354 2.494 20 5 FEBDMO Cc1cc(N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000291041910 552579372 /nfs/dbraw/zinc/57/93/72/552579372.db2.gz YKBHUKBYOFINHD-UHFFFAOYSA-N 1 1 364.421 2.033 20 5 FEBDMO COc1ccc(F)cc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000291074780 552584030 /nfs/dbraw/zinc/58/40/30/552584030.db2.gz SRNXFJWVQJGHDZ-UHFFFAOYSA-N 1 1 368.386 2.306 20 5 FEBDMO C[C@@H]1[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291191507 552598091 /nfs/dbraw/zinc/59/80/91/552598091.db2.gz STVRBJSFVYINJQ-DOMZBBRYSA-N 1 1 355.398 2.164 20 5 FEBDMO COc1cc(C[NH2+][C@@H](C(N)=O)[C@@H](C)c2ccccc2)c([N+](=O)[O-])cc1F ZINC000292168720 552700570 /nfs/dbraw/zinc/70/05/70/552700570.db2.gz LPFCJRRHSHDMTJ-APPDUMDISA-N 1 1 361.373 2.490 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292574683 552739613 /nfs/dbraw/zinc/73/96/13/552739613.db2.gz BXHBHSNKOLNOEV-INIZCTEOSA-N 1 1 363.414 2.311 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])c1 ZINC000292574683 552739614 /nfs/dbraw/zinc/73/96/14/552739614.db2.gz BXHBHSNKOLNOEV-INIZCTEOSA-N 1 1 363.414 2.311 20 5 FEBDMO C[N@H+]1CCC[C@]2(CCN(S(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])C2)C1 ZINC000292718142 552752414 /nfs/dbraw/zinc/75/24/14/552752414.db2.gz FOCOJGZFCWMILF-HNNXBMFYSA-N 1 1 373.862 2.355 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000292967764 552775734 /nfs/dbraw/zinc/77/57/34/552775734.db2.gz GEVFNVLFTNHKPJ-SFHVURJKSA-N 1 1 365.430 2.272 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC[C@](CO)(C(C)C)C2)c([N+](=O)[O-])c1 ZINC000292967764 552775736 /nfs/dbraw/zinc/77/57/36/552775736.db2.gz GEVFNVLFTNHKPJ-SFHVURJKSA-N 1 1 365.430 2.272 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000294539187 552914110 /nfs/dbraw/zinc/91/41/10/552914110.db2.gz MRSJGMPJBUHXIW-GFCCVEGCSA-N 1 1 355.398 2.199 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000295098678 552958705 /nfs/dbraw/zinc/95/87/05/552958705.db2.gz XCMHISZKQMNWIE-ZDUSSCGKSA-N 1 1 367.833 2.351 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@H+](C2CC2)C1 ZINC000295231995 552973146 /nfs/dbraw/zinc/97/31/46/552973146.db2.gz BSRCVOQFRFSXDY-CQSZACIVSA-N 1 1 369.425 2.337 20 5 FEBDMO COc1cc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000295263164 552978317 /nfs/dbraw/zinc/97/83/17/552978317.db2.gz GGVYFSKDQNZFSY-GFCCVEGCSA-N 1 1 363.414 2.168 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@H+](Cc4cnns4)CC3)nc2c1 ZINC000295709933 553048076 /nfs/dbraw/zinc/04/80/76/553048076.db2.gz KBTBHRCUMIGIJS-UHFFFAOYSA-N 1 1 359.415 2.035 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](Cc4cnns4)CC3)nc2c1 ZINC000295709933 553048077 /nfs/dbraw/zinc/04/80/77/553048077.db2.gz KBTBHRCUMIGIJS-UHFFFAOYSA-N 1 1 359.415 2.035 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297733685 553331900 /nfs/dbraw/zinc/33/19/00/553331900.db2.gz CBLFOCOYPZNOHX-HNNXBMFYSA-N 1 1 362.430 2.222 20 5 FEBDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000297775997 553337448 /nfs/dbraw/zinc/33/74/48/553337448.db2.gz GKTGOOYTMQPEMB-CHWSQXEVSA-N 1 1 351.403 2.431 20 5 FEBDMO CC1=CC[N@@H+](CCNC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC1 ZINC000503269442 561638530 /nfs/dbraw/zinc/63/85/30/561638530.db2.gz ZELMFPHOKBFCOE-UHFFFAOYSA-N 1 1 355.398 2.162 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H](O)c1cccc(Br)c1 ZINC000298410942 553422106 /nfs/dbraw/zinc/42/21/06/553422106.db2.gz PCZKZSOJOFJPRI-ZDUSSCGKSA-N 1 1 369.219 2.219 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000298502625 553433318 /nfs/dbraw/zinc/43/33/18/553433318.db2.gz ZMUCTCHAETVNJN-LBPRGKRZSA-N 1 1 363.414 2.216 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000299113068 553516951 /nfs/dbraw/zinc/51/69/51/553516951.db2.gz WUUYXYVDDODTFL-SJORKVTESA-N 1 1 355.398 2.137 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000299446037 553563910 /nfs/dbraw/zinc/56/39/10/553563910.db2.gz YQRAISKGNCPDOZ-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)[NH+]1CCOCC1 ZINC000299640222 553594091 /nfs/dbraw/zinc/59/40/91/553594091.db2.gz YBGYVWZHHIFXLW-QGZVFWFLSA-N 1 1 360.414 2.163 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1ncc([N+](=O)[O-])cc1C(N)=O ZINC000301572232 553662201 /nfs/dbraw/zinc/66/22/01/553662201.db2.gz LETMUGXUWSEPBU-CXAGYDPISA-N 1 1 369.425 2.411 20 5 FEBDMO Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301767359 553678042 /nfs/dbraw/zinc/67/80/42/553678042.db2.gz ODKNCWQWSHSKSL-BBRMVZONSA-N 1 1 357.414 2.491 20 5 FEBDMO Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301767359 553678043 /nfs/dbraw/zinc/67/80/43/553678043.db2.gz ODKNCWQWSHSKSL-BBRMVZONSA-N 1 1 357.414 2.491 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301803554 553681166 /nfs/dbraw/zinc/68/11/66/553681166.db2.gz UXTRTFPZFQHFHA-CYBMUJFWSA-N 1 1 354.401 2.479 20 5 FEBDMO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000302632089 553723609 /nfs/dbraw/zinc/72/36/09/553723609.db2.gz JKAZILAJVKMDCG-CQSZACIVSA-N 1 1 353.444 2.063 20 5 FEBDMO COC(=O)[C@H]1CC12CC[NH+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC2 ZINC000506245781 561693898 /nfs/dbraw/zinc/69/38/98/561693898.db2.gz APUIAXZNJQUHEQ-CQSZACIVSA-N 1 1 361.398 2.117 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000331099936 554212576 /nfs/dbraw/zinc/21/25/76/554212576.db2.gz OAPZKCZASILAAD-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331280512 554240633 /nfs/dbraw/zinc/24/06/33/554240633.db2.gz FFAYUIZPGLSDNT-VXGBXAGGSA-N 1 1 359.423 2.133 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000331280512 554240635 /nfs/dbraw/zinc/24/06/35/554240635.db2.gz FFAYUIZPGLSDNT-VXGBXAGGSA-N 1 1 359.423 2.133 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000331304384 554244870 /nfs/dbraw/zinc/24/48/70/554244870.db2.gz WJJOMFYDNNTCGF-UHFFFAOYSA-N 1 1 371.459 2.004 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000331304384 554244873 /nfs/dbraw/zinc/24/48/73/554244873.db2.gz WJJOMFYDNNTCGF-UHFFFAOYSA-N 1 1 371.459 2.004 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331388432 554255886 /nfs/dbraw/zinc/25/58/86/554255886.db2.gz PIKCPEHIJSMCNR-GJZGRUSLSA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331388432 554255889 /nfs/dbraw/zinc/25/58/89/554255889.db2.gz PIKCPEHIJSMCNR-GJZGRUSLSA-N 1 1 374.441 2.256 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000332013174 554363382 /nfs/dbraw/zinc/36/33/82/554363382.db2.gz PMRKIGYUJSSYSB-GWCFXTLKSA-N 1 1 355.341 2.362 20 5 FEBDMO CC(C)(C)[C@H]1CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000332314168 554423392 /nfs/dbraw/zinc/42/33/92/554423392.db2.gz NGTNATIKFBTONF-RDJZCZTQSA-N 1 1 361.442 2.213 20 5 FEBDMO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000332314168 554423395 /nfs/dbraw/zinc/42/33/95/554423395.db2.gz NGTNATIKFBTONF-RDJZCZTQSA-N 1 1 361.442 2.213 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000332316742 554423824 /nfs/dbraw/zinc/42/38/24/554423824.db2.gz YRBWYCZAVOSLRG-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO O=C([C@@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000362853152 554993467 /nfs/dbraw/zinc/99/34/67/554993467.db2.gz UBYVAHVOHCSTQF-CVEARBPZSA-N 1 1 358.442 2.118 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000362863657 554994216 /nfs/dbraw/zinc/99/42/16/554994216.db2.gz VXAACCWDEPNJBP-BPUTZDHNSA-N 1 1 362.430 2.127 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000363095582 555029196 /nfs/dbraw/zinc/02/91/96/555029196.db2.gz KPHVUIFATZATJO-AWEZNQCLSA-N 1 1 357.414 2.455 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000363095582 555029198 /nfs/dbraw/zinc/02/91/98/555029198.db2.gz KPHVUIFATZATJO-AWEZNQCLSA-N 1 1 357.414 2.455 20 5 FEBDMO Cc1cc(S(=O)(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363257807 555065898 /nfs/dbraw/zinc/06/58/98/555065898.db2.gz BAFDXXXRLWUIHS-YSVLISHTSA-N 1 1 365.455 2.008 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000363259325 555066092 /nfs/dbraw/zinc/06/60/92/555066092.db2.gz NCHXNLKKUPHLNY-DZKIICNBSA-N 1 1 365.455 2.008 20 5 FEBDMO O=[N+]([O-])c1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c2c(c1)COCO2 ZINC000363414025 555100021 /nfs/dbraw/zinc/10/00/21/555100021.db2.gz JGVNAQGTPCEILX-BPQIPLTHSA-N 1 1 359.426 2.377 20 5 FEBDMO [NH3+][C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1c1ccc(F)cc1 ZINC000363745794 555177329 /nfs/dbraw/zinc/17/73/29/555177329.db2.gz PVUASLGEKNXKJV-HUUCEWRRSA-N 1 1 369.356 2.177 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000363799478 555188627 /nfs/dbraw/zinc/18/86/27/555188627.db2.gz ZAKYRYHSNGEAQF-CYBMUJFWSA-N 1 1 363.414 2.433 20 5 FEBDMO O=C(c1ccncc1)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363950899 555220730 /nfs/dbraw/zinc/22/07/30/555220730.db2.gz FKFQBJCLAMSYIM-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO O=C(c1ccncc1)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363950899 555220731 /nfs/dbraw/zinc/22/07/31/555220731.db2.gz FKFQBJCLAMSYIM-UHFFFAOYSA-N 1 1 370.409 2.217 20 5 FEBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000512402579 561903563 /nfs/dbraw/zinc/90/35/63/561903563.db2.gz CUSVYHHTDOXJJO-UHFFFAOYSA-N 1 1 355.394 2.316 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000364743351 555391675 /nfs/dbraw/zinc/39/16/75/555391675.db2.gz QBJYTMYGULOYLJ-IRXDYDNUSA-N 1 1 360.414 2.086 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])cnc2N)[C@H]1c1cccs1 ZINC000364965460 555451910 /nfs/dbraw/zinc/45/19/10/555451910.db2.gz UBDFUXHIWAKBKA-HZMBPMFUSA-N 1 1 361.427 2.056 20 5 FEBDMO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000365142114 555494067 /nfs/dbraw/zinc/49/40/67/555494067.db2.gz PBDZYNDCJYVLOV-HNNXBMFYSA-N 1 1 361.446 2.086 20 5 FEBDMO CCOc1cc(C[N@@H+]2CCCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000365177461 555502100 /nfs/dbraw/zinc/50/21/00/555502100.db2.gz DKHYFQSWCSSJFU-UHFFFAOYSA-N 1 1 357.414 2.496 20 5 FEBDMO CCOc1cc(C[N@H+]2CCCN(c3ncccn3)CC2)ccc1[N+](=O)[O-] ZINC000365177461 555502102 /nfs/dbraw/zinc/50/21/02/555502102.db2.gz DKHYFQSWCSSJFU-UHFFFAOYSA-N 1 1 357.414 2.496 20 5 FEBDMO O=C1Nc2ccccc2CC[C@H]1[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273158 555528941 /nfs/dbraw/zinc/52/89/41/555528941.db2.gz ZEYPWGZNYBKGBZ-WMLDXEAASA-N 1 1 355.398 2.382 20 5 FEBDMO O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000365273158 555528942 /nfs/dbraw/zinc/52/89/42/555528942.db2.gz ZEYPWGZNYBKGBZ-WMLDXEAASA-N 1 1 355.398 2.382 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cc(Cl)ccc3[N+](=O)[O-])CC2)C1 ZINC000365340195 555548460 /nfs/dbraw/zinc/54/84/60/555548460.db2.gz NRWBVGDRAPOGAG-AWEZNQCLSA-N 1 1 366.849 2.100 20 5 FEBDMO CC1CCC([NH+]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000513309235 561933087 /nfs/dbraw/zinc/93/30/87/561933087.db2.gz ZALAJLPYZPZHMJ-UHFFFAOYSA-N 1 1 367.471 2.480 20 5 FEBDMO C[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](c1ccccc1)c1ccccn1 ZINC000365739113 555656017 /nfs/dbraw/zinc/65/60/17/555656017.db2.gz HHYLROSQFCJAQQ-PKOBYXMFSA-N 1 1 367.409 2.269 20 5 FEBDMO Nc1nccc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000366011325 555726748 /nfs/dbraw/zinc/72/67/48/555726748.db2.gz UAOXXTFOBPTBGM-CYBMUJFWSA-N 1 1 370.413 2.175 20 5 FEBDMO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[N@H+](C2CCOCC2)CC1 ZINC000366068312 555742176 /nfs/dbraw/zinc/74/21/76/555742176.db2.gz PJFHMEMOXJHBGX-UHFFFAOYSA-N 1 1 351.378 2.061 20 5 FEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367437474 556048486 /nfs/dbraw/zinc/04/84/86/556048486.db2.gz WNMUGOGPAWJRGI-RDTXWAMCSA-N 1 1 360.458 2.260 20 5 FEBDMO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C1CCN(C)CC1 ZINC000367454128 556054503 /nfs/dbraw/zinc/05/45/03/556054503.db2.gz LXRQPQKLNFPLBX-WAVCKPEOSA-N 1 1 372.469 2.235 20 5 FEBDMO C[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C1CCN(C)CC1 ZINC000367454128 556054507 /nfs/dbraw/zinc/05/45/07/556054507.db2.gz LXRQPQKLNFPLBX-WAVCKPEOSA-N 1 1 372.469 2.235 20 5 FEBDMO COc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c([N+](=O)[O-])cc1F ZINC000368395864 556296222 /nfs/dbraw/zinc/29/62/22/556296222.db2.gz WUCWUEZSBWRIGE-RISCZKNCSA-N 1 1 351.378 2.233 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(c3ccc4ncc([N+](=O)[O-])n4n3)C[C@H]2[C@@H]1c1ccccc1 ZINC000368472158 556319675 /nfs/dbraw/zinc/31/96/75/556319675.db2.gz ZBVVLVHSGOGMGA-CLCXKQKWSA-N 1 1 364.409 2.377 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000368671759 556381775 /nfs/dbraw/zinc/38/17/75/556381775.db2.gz JOCGKIKQQCBNGV-QZTJIDSGSA-N 1 1 374.441 2.033 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000368671759 556381777 /nfs/dbraw/zinc/38/17/77/556381777.db2.gz JOCGKIKQQCBNGV-QZTJIDSGSA-N 1 1 374.441 2.033 20 5 FEBDMO Cc1nn2c(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)c(C)nc2s1 ZINC000369694087 556670202 /nfs/dbraw/zinc/67/02/02/556670202.db2.gz PRHQGXQWTPGYHQ-UHFFFAOYSA-N 1 1 361.431 2.349 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000370005496 556755578 /nfs/dbraw/zinc/75/55/78/556755578.db2.gz GBNLJIIZIGUVQC-ZIAGYGMSSA-N 1 1 357.414 2.220 20 5 FEBDMO COCCC[N@H+]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370168283 556800485 /nfs/dbraw/zinc/80/04/85/556800485.db2.gz BVHGHRWPKKKTER-UHFFFAOYSA-N 1 1 351.447 2.408 20 5 FEBDMO COCCCN1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370168283 556800489 /nfs/dbraw/zinc/80/04/89/556800489.db2.gz BVHGHRWPKKKTER-UHFFFAOYSA-N 1 1 351.447 2.408 20 5 FEBDMO COCCCN1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000370168283 556800492 /nfs/dbraw/zinc/80/04/92/556800492.db2.gz BVHGHRWPKKKTER-UHFFFAOYSA-N 1 1 351.447 2.408 20 5 FEBDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000516858640 562061059 /nfs/dbraw/zinc/06/10/59/562061059.db2.gz RJDVDQABBGPHLE-OAHLLOKOSA-N 1 1 357.414 2.348 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000371066049 557064700 /nfs/dbraw/zinc/06/47/00/557064700.db2.gz YTWCLVHRNCDDQS-RDJZCZTQSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 ZINC000371066049 557064704 /nfs/dbraw/zinc/06/47/04/557064704.db2.gz YTWCLVHRNCDDQS-RDJZCZTQSA-N 1 1 358.373 2.491 20 5 FEBDMO Cc1ccc(C[N@H+]2CCCN(c3ncccc3C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000371420344 557181677 /nfs/dbraw/zinc/18/16/77/557181677.db2.gz WFDCRWKBINQBKQ-UHFFFAOYSA-N 1 1 369.425 2.109 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000518023961 562102865 /nfs/dbraw/zinc/10/28/65/562102865.db2.gz YAMANWOCSMQQJZ-CQSZACIVSA-N 1 1 362.430 2.231 20 5 FEBDMO CC(C)OC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000372127511 557387151 /nfs/dbraw/zinc/38/71/51/557387151.db2.gz CVFVHIGXPWZMQD-AWEZNQCLSA-N 1 1 351.403 2.049 20 5 FEBDMO CC(C)OC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000372127511 557387153 /nfs/dbraw/zinc/38/71/53/557387153.db2.gz CVFVHIGXPWZMQD-AWEZNQCLSA-N 1 1 351.403 2.049 20 5 FEBDMO CN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000518957481 562121736 /nfs/dbraw/zinc/12/17/36/562121736.db2.gz HTRKORSJPDZUFQ-KRWDZBQOSA-N 1 1 355.398 2.089 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000372296553 557432671 /nfs/dbraw/zinc/43/26/71/557432671.db2.gz RJZZALRXNCJYBN-SJLPKXTDSA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000372328990 557441428 /nfs/dbraw/zinc/44/14/28/557441428.db2.gz DZWGGPKGNIHSFH-CQSZACIVSA-N 1 1 361.358 2.415 20 5 FEBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372349090 557447375 /nfs/dbraw/zinc/44/73/75/557447375.db2.gz ZHIHXKMWPSYHIY-KRWDZBQOSA-N 1 1 370.453 2.353 20 5 FEBDMO O=C1OCC[C@@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]12 ZINC000372353130 557448139 /nfs/dbraw/zinc/44/81/39/557448139.db2.gz CKLNIVCVBVBKLU-YVEFUNNKSA-N 1 1 357.366 2.430 20 5 FEBDMO O=C1OCC[C@@H]2CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]12 ZINC000372353130 557448140 /nfs/dbraw/zinc/44/81/40/557448140.db2.gz CKLNIVCVBVBKLU-YVEFUNNKSA-N 1 1 357.366 2.430 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000372925984 557589541 /nfs/dbraw/zinc/58/95/41/557589541.db2.gz CMRPXGYYGDHIFQ-FKGLVLAHSA-N 1 1 355.797 2.253 20 5 FEBDMO CN1C[C@H]([N@@H+](C)CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1=O ZINC000519759063 562142829 /nfs/dbraw/zinc/14/28/29/562142829.db2.gz MWPHEMJOJBBJRD-OAHLLOKOSA-N 1 1 358.398 2.345 20 5 FEBDMO C[C@H]1[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000372975381 557601389 /nfs/dbraw/zinc/60/13/89/557601389.db2.gz MNDJMADTSWCNLE-GDBMZVCRSA-N 1 1 350.415 2.226 20 5 FEBDMO Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000373568370 557719680 /nfs/dbraw/zinc/71/96/80/557719680.db2.gz QJSSATWRKODLDW-SJLPKXTDSA-N 1 1 374.441 2.485 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374697135 557917947 /nfs/dbraw/zinc/91/79/47/557917947.db2.gz FINWOXIJMGUEIC-CHWSQXEVSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])c1 ZINC000374697135 557917949 /nfs/dbraw/zinc/91/79/49/557917949.db2.gz FINWOXIJMGUEIC-CHWSQXEVSA-N 1 1 351.403 2.431 20 5 FEBDMO C[C@]1(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3Cl)CC2)NC(=O)NC1=O ZINC000374709157 557919579 /nfs/dbraw/zinc/91/95/79/557919579.db2.gz GIOYHPUIJPTZGA-MRXNPFEDSA-N 1 1 366.805 2.058 20 5 FEBDMO Cc1ccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])c(F)cc3N)CC2)[nH+]c1 ZINC000374826752 557937245 /nfs/dbraw/zinc/93/72/45/557937245.db2.gz GMAMYFCXUGUEMS-UHFFFAOYSA-N 1 1 373.388 2.418 20 5 FEBDMO C[C@@H]([C@H]1CN(Cc2ccccc2)CCO1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000374883175 557945636 /nfs/dbraw/zinc/94/56/36/557945636.db2.gz RLPBFJVDSGYPBP-QFBILLFUSA-N 1 1 373.457 2.013 20 5 FEBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000374914867 557950616 /nfs/dbraw/zinc/95/06/16/557950616.db2.gz OAPBZGVSURBYAZ-CQSZACIVSA-N 1 1 350.438 2.334 20 5 FEBDMO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+]1C1CCN(C)CC1 ZINC000374914867 557950617 /nfs/dbraw/zinc/95/06/17/557950617.db2.gz OAPBZGVSURBYAZ-CQSZACIVSA-N 1 1 350.438 2.334 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000375015805 557964366 /nfs/dbraw/zinc/96/43/66/557964366.db2.gz DRSFMHBTUPANFD-NHYWBVRUSA-N 1 1 352.822 2.213 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000375038732 557968125 /nfs/dbraw/zinc/96/81/25/557968125.db2.gz LVOPSONJDKXPAF-ABAIWWIYSA-N 1 1 352.822 2.213 20 5 FEBDMO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000375351620 558013943 /nfs/dbraw/zinc/01/39/43/558013943.db2.gz DNFRBWJRJAJOND-FSBGKCOPSA-N 1 1 371.397 2.353 20 5 FEBDMO C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000375401363 558021084 /nfs/dbraw/zinc/02/10/84/558021084.db2.gz GNONLADQHVESSP-CZUORRHYSA-N 1 1 361.446 2.218 20 5 FEBDMO C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1)C1CC1 ZINC000375401363 558021085 /nfs/dbraw/zinc/02/10/85/558021085.db2.gz GNONLADQHVESSP-CZUORRHYSA-N 1 1 361.446 2.218 20 5 FEBDMO Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375407623 558022203 /nfs/dbraw/zinc/02/22/03/558022203.db2.gz ZNJHWKJMWANSIS-KRWDZBQOSA-N 1 1 371.441 2.395 20 5 FEBDMO Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375407623 558022204 /nfs/dbraw/zinc/02/22/04/558022204.db2.gz ZNJHWKJMWANSIS-KRWDZBQOSA-N 1 1 371.441 2.395 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C(=O)N1CCOCC1 ZINC000375478096 558034743 /nfs/dbraw/zinc/03/47/43/558034743.db2.gz JYIPGYVMRUFAIJ-IUODEOHRSA-N 1 1 367.833 2.175 20 5 FEBDMO CN1CCC[C@H](C[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000375479895 558034908 /nfs/dbraw/zinc/03/49/08/558034908.db2.gz FECKGKCEVXYYPN-YLJYHZDGSA-N 1 1 370.453 2.429 20 5 FEBDMO C[N@@H+]1CCC[C@H](CNCCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000375479895 558034909 /nfs/dbraw/zinc/03/49/09/558034909.db2.gz FECKGKCEVXYYPN-YLJYHZDGSA-N 1 1 370.453 2.429 20 5 FEBDMO C[N@H+]1CCC[C@H](CNCCn2cc([N+](=O)[O-])ccc2=O)[C@H]1c1ccccc1 ZINC000375479895 558034911 /nfs/dbraw/zinc/03/49/11/558034911.db2.gz FECKGKCEVXYYPN-YLJYHZDGSA-N 1 1 370.453 2.429 20 5 FEBDMO Cc1c(C(=O)NCc2c[nH+]c3n2CCCC3)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000375540958 558045812 /nfs/dbraw/zinc/04/58/12/558045812.db2.gz IJUAFFUYMSXCQN-UHFFFAOYSA-N 1 1 359.342 2.274 20 5 FEBDMO CC(C)N1CCN([C@H]2CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375887114 558094017 /nfs/dbraw/zinc/09/40/17/558094017.db2.gz BVVGGQLARIFQRV-SFHVURJKSA-N 1 1 362.474 2.074 20 5 FEBDMO CC(C)N1CCN([C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375887114 558094018 /nfs/dbraw/zinc/09/40/18/558094018.db2.gz BVVGGQLARIFQRV-SFHVURJKSA-N 1 1 362.474 2.074 20 5 FEBDMO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000521988633 562188175 /nfs/dbraw/zinc/18/81/75/562188175.db2.gz MGCGUGNXWONDRK-AWEZNQCLSA-N 1 1 369.381 2.182 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000522535186 562199498 /nfs/dbraw/zinc/19/94/98/562199498.db2.gz VBLJIABGXCLCQW-CHWSQXEVSA-N 1 1 351.451 2.177 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377763841 558415163 /nfs/dbraw/zinc/41/51/63/558415163.db2.gz QJCBRMGTTHHKLJ-CHWSQXEVSA-N 1 1 365.434 2.017 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377763841 558415166 /nfs/dbraw/zinc/41/51/66/558415166.db2.gz QJCBRMGTTHHKLJ-CHWSQXEVSA-N 1 1 365.434 2.017 20 5 FEBDMO O=C([C@H]1CCCc2[nH+]ccn21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000377844599 558433796 /nfs/dbraw/zinc/43/37/96/558433796.db2.gz XNJGGTKIJLXHSR-MRXNPFEDSA-N 1 1 355.398 2.018 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1C ZINC000408059537 558641901 /nfs/dbraw/zinc/64/19/01/558641901.db2.gz QKJXXEQCYMNTKH-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000408063828 558642655 /nfs/dbraw/zinc/64/26/55/558642655.db2.gz XCXVKLSFGRVBCR-ZIAGYGMSSA-N 1 1 373.862 2.462 20 5 FEBDMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000408183023 558654860 /nfs/dbraw/zinc/65/48/60/558654860.db2.gz OUYAGVXAVZMZCE-PBHICJAKSA-N 1 1 358.442 2.043 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000411627667 558931803 /nfs/dbraw/zinc/93/18/03/558931803.db2.gz YWPFNVWESTZDMR-MQMHXKEQSA-N 1 1 351.403 2.167 20 5 FEBDMO O=C1[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCN1c1ccc(F)cc1 ZINC000411655944 558937512 /nfs/dbraw/zinc/93/75/12/558937512.db2.gz OBWFTOMKKURLOP-MRXNPFEDSA-N 1 1 373.388 2.373 20 5 FEBDMO COCC(COC)[NH+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000411868061 558978696 /nfs/dbraw/zinc/97/86/96/558978696.db2.gz XWRDBDFLVLUQSW-HNNXBMFYSA-N 1 1 351.447 2.243 20 5 FEBDMO O=C(C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000411957294 558995067 /nfs/dbraw/zinc/99/50/67/558995067.db2.gz WQCOCBZNBZNEOX-ZWKOTPCHSA-N 1 1 367.405 2.292 20 5 FEBDMO O=C(C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000411957294 558995069 /nfs/dbraw/zinc/99/50/69/558995069.db2.gz WQCOCBZNBZNEOX-ZWKOTPCHSA-N 1 1 367.405 2.292 20 5 FEBDMO NC(=O)[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000411980443 558999092 /nfs/dbraw/zinc/99/90/92/558999092.db2.gz NMBFVHDJZIBGPQ-ZWKOTPCHSA-N 1 1 355.394 2.175 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@H](N2CCCC2=O)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000412059231 559008270 /nfs/dbraw/zinc/00/82/70/559008270.db2.gz WTYDXBSLWGOIEG-HNNXBMFYSA-N 1 1 374.441 2.400 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1F ZINC000412169206 559018102 /nfs/dbraw/zinc/01/81/02/559018102.db2.gz IATVDDRDXQVMBS-MNOVXSKESA-N 1 1 351.378 2.026 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@H]1C ZINC000412232169 559021575 /nfs/dbraw/zinc/02/15/75/559021575.db2.gz NLVVHPIUEWELSQ-VXGBXAGGSA-N 1 1 353.394 2.226 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000412232165 559021592 /nfs/dbraw/zinc/02/15/92/559021592.db2.gz NLVVHPIUEWELSQ-RYUDHWBXSA-N 1 1 353.394 2.226 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416410096 559310948 /nfs/dbraw/zinc/31/09/48/559310948.db2.gz WKYAWFDGLOXUNI-ZIAGYGMSSA-N 1 1 355.460 2.315 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000419010156 559425359 /nfs/dbraw/zinc/42/53/59/559425359.db2.gz XJMKQQGOLSNKRG-GHMZBOCLSA-N 1 1 358.236 2.249 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)cc1[N+](=O)[O-] ZINC000419505458 559445427 /nfs/dbraw/zinc/44/54/27/559445427.db2.gz VSAZXWXPFLNZPM-ZNMIVQPWSA-N 1 1 364.446 2.061 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000420476021 559489609 /nfs/dbraw/zinc/48/96/09/559489609.db2.gz HQMWSHJVAQIFMB-KRWDZBQOSA-N 1 1 361.423 2.238 20 5 FEBDMO NC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420588938 559493195 /nfs/dbraw/zinc/49/31/95/559493195.db2.gz QVPQQNOIECQZPB-UHFFFAOYSA-N 1 1 370.409 2.138 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420998874 559518385 /nfs/dbraw/zinc/51/83/85/559518385.db2.gz ULCCZRPZWPSCAK-AWEZNQCLSA-N 1 1 363.414 2.311 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421011794 559519288 /nfs/dbraw/zinc/51/92/88/559519288.db2.gz HMKJGZIIIRTVTD-KBPBESRZSA-N 1 1 365.430 2.415 20 5 FEBDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019010 559520045 /nfs/dbraw/zinc/52/00/45/559520045.db2.gz NAJIDJHPUPUWIS-KBPBESRZSA-N 1 1 365.430 2.056 20 5 FEBDMO COc1ccc(-c2ccc(C[N@@H+](C[C@@H](O)CO)C(C)C)o2)c([N+](=O)[O-])c1 ZINC000421414649 559541844 /nfs/dbraw/zinc/54/18/44/559541844.db2.gz ZVRVSALMOJMWSW-CYBMUJFWSA-N 1 1 364.398 2.427 20 5 FEBDMO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000424043438 559652383 /nfs/dbraw/zinc/65/23/83/559652383.db2.gz QPAKEYISRMYOQI-INIZCTEOSA-N 1 1 357.414 2.321 20 5 FEBDMO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000424043441 559652400 /nfs/dbraw/zinc/65/24/00/559652400.db2.gz QPAKEYISRMYOQI-MRXNPFEDSA-N 1 1 357.414 2.321 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292867 559660909 /nfs/dbraw/zinc/66/09/09/559660909.db2.gz OKTFDTOMYDLKEX-ZDUSSCGKSA-N 1 1 362.430 2.006 20 5 FEBDMO O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427806326 559762982 /nfs/dbraw/zinc/76/29/82/559762982.db2.gz HDRRBGZBNGEAEO-KRWDZBQOSA-N 1 1 369.425 2.229 20 5 FEBDMO O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000427806326 559762983 /nfs/dbraw/zinc/76/29/83/559762983.db2.gz HDRRBGZBNGEAEO-KRWDZBQOSA-N 1 1 369.425 2.229 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)N2CCC[N@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000428253009 559772357 /nfs/dbraw/zinc/77/23/57/559772357.db2.gz NTIFBFXSSMNQTN-AWEZNQCLSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000428555043 559778196 /nfs/dbraw/zinc/77/81/96/559778196.db2.gz WJAQREWAVVJUHH-INIZCTEOSA-N 1 1 371.393 2.422 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000428858914 559784890 /nfs/dbraw/zinc/78/48/90/559784890.db2.gz GQEHNXUAMIORJW-ACJLOTCBSA-N 1 1 370.409 2.089 20 5 FEBDMO C[C@H]1C[C@@H]1[N@H+]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H](C)C1 ZINC000429026753 559789010 /nfs/dbraw/zinc/78/90/10/559789010.db2.gz AATDBSVGTXXMFX-OHQAAIJDSA-N 1 1 372.469 2.362 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429395021 559797765 /nfs/dbraw/zinc/79/77/65/559797765.db2.gz ATOFHLFWUJKTQU-RDJZCZTQSA-N 1 1 363.414 2.077 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429396834 559797835 /nfs/dbraw/zinc/79/78/35/559797835.db2.gz CYOJURPAURBHGA-RDJZCZTQSA-N 1 1 363.414 2.443 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433061221 559870855 /nfs/dbraw/zinc/87/08/55/559870855.db2.gz OKDGDFCVYXHTFP-KBXCAEBGSA-N 1 1 357.410 2.457 20 5 FEBDMO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000440501398 560012754 /nfs/dbraw/zinc/01/27/54/560012754.db2.gz DRIFAMPCXQCBHU-FQEVSTJZSA-N 1 1 369.421 2.270 20 5 FEBDMO O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000441201016 560026080 /nfs/dbraw/zinc/02/60/80/560026080.db2.gz DCJXMMFMINYOHJ-IIDMSEBBSA-N 1 1 359.426 2.449 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441204905 560026237 /nfs/dbraw/zinc/02/62/37/560026237.db2.gz UMVXPCMTPPGLKV-JKSUJKDBSA-N 1 1 359.426 2.232 20 5 FEBDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442557814 560052790 /nfs/dbraw/zinc/05/27/90/560052790.db2.gz QZUYWBFUAQWSIU-UHFFFAOYSA-N 1 1 362.430 2.256 20 5 FEBDMO COc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000443626416 560088801 /nfs/dbraw/zinc/08/88/01/560088801.db2.gz PZIZAUGKKPMHPP-TZMCWYRMSA-N 1 1 350.419 2.085 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000443787579 560092866 /nfs/dbraw/zinc/09/28/66/560092866.db2.gz JJGSHGGSMRGTFB-INIZCTEOSA-N 1 1 367.471 2.088 20 5 FEBDMO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000445560167 560132922 /nfs/dbraw/zinc/13/29/22/560132922.db2.gz XETCFPNJXHWGDL-RKDXNWHRSA-N 1 1 368.242 2.450 20 5 FEBDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnc(N2CCN(C)CC2)c1 ZINC000449083854 560215380 /nfs/dbraw/zinc/21/53/80/560215380.db2.gz VTLGUNWVUJWIAA-MRXNPFEDSA-N 1 1 369.469 2.462 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000450487598 560263760 /nfs/dbraw/zinc/26/37/60/560263760.db2.gz NIQZQRAXIOAGAH-CQSZACIVSA-N 1 1 374.441 2.486 20 5 FEBDMO Cc1cc(NC[C@@H]2CCCC[N@H+]2CCO)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450617504 560268140 /nfs/dbraw/zinc/26/81/40/560268140.db2.gz RDBTZDZSCOYJDN-KRWDZBQOSA-N 1 1 371.441 2.041 20 5 FEBDMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309428 560299404 /nfs/dbraw/zinc/29/94/04/560299404.db2.gz WPCXAZDWJAFOID-ZMSDIMECSA-N 1 1 350.415 2.355 20 5 FEBDMO O=c1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)[nH]c2ccnn21 ZINC000451543463 560313634 /nfs/dbraw/zinc/31/36/34/560313634.db2.gz BVXOFUBLZMSWLE-CQSZACIVSA-N 1 1 353.382 2.310 20 5 FEBDMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551272 560314104 /nfs/dbraw/zinc/31/41/04/560314104.db2.gz UDCXSJSRXQDVAF-HIFRSBDPSA-N 1 1 362.430 2.397 20 5 FEBDMO CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551272 560314105 /nfs/dbraw/zinc/31/41/05/560314105.db2.gz UDCXSJSRXQDVAF-HIFRSBDPSA-N 1 1 362.430 2.397 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451861544 560333065 /nfs/dbraw/zinc/33/30/65/560333065.db2.gz XSHAPCIZLUMGNQ-JKSUJKDBSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451861544 560333066 /nfs/dbraw/zinc/33/30/66/560333066.db2.gz XSHAPCIZLUMGNQ-JKSUJKDBSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451896450 560335597 /nfs/dbraw/zinc/33/55/97/560335597.db2.gz GFPOQVHQJQMUGE-UGSOOPFHSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451896450 560335598 /nfs/dbraw/zinc/33/55/98/560335598.db2.gz GFPOQVHQJQMUGE-UGSOOPFHSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452136366 560353543 /nfs/dbraw/zinc/35/35/43/560353543.db2.gz YDOHRHNTHPUXOM-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452136366 560353544 /nfs/dbraw/zinc/35/35/44/560353544.db2.gz YDOHRHNTHPUXOM-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452355161 560359858 /nfs/dbraw/zinc/35/98/58/560359858.db2.gz XBDCYQMGNAWPCO-UKRRQHHQSA-N 1 1 367.471 2.038 20 5 FEBDMO CNc1nc(C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000454623859 560451677 /nfs/dbraw/zinc/45/16/77/560451677.db2.gz SAODDGNZTZODTL-CYBMUJFWSA-N 1 1 369.425 2.208 20 5 FEBDMO CCOc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])cc1OC ZINC000456316129 560515087 /nfs/dbraw/zinc/51/50/87/560515087.db2.gz FKIQXEXUXPTVOQ-YHWZYXNKSA-N 1 1 363.414 2.357 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[N@H+](CC)C[C@H]2CC)cc([N+](=O)[O-])c1 ZINC000456356219 560516987 /nfs/dbraw/zinc/51/69/87/560516987.db2.gz RDWNCWJYJGKXFF-OAHLLOKOSA-N 1 1 363.414 2.328 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[N@@H+](CC)C[C@H]2CC)cc([N+](=O)[O-])c1 ZINC000456356219 560516988 /nfs/dbraw/zinc/51/69/88/560516988.db2.gz RDWNCWJYJGKXFF-OAHLLOKOSA-N 1 1 363.414 2.328 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1[N+](=O)[O-] ZINC000458499526 560627652 /nfs/dbraw/zinc/62/76/52/560627652.db2.gz JWABSENFBVXSKH-GOEBONIOSA-N 1 1 364.446 2.110 20 5 FEBDMO CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000458887517 560654292 /nfs/dbraw/zinc/65/42/92/560654292.db2.gz JHEZPGVTODFWDI-GOEBONIOSA-N 1 1 364.446 2.408 20 5 FEBDMO CC(C)C[N@H+](Cc1cnn(C)c1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459591722 560696246 /nfs/dbraw/zinc/69/62/46/560696246.db2.gz LEPPAXXNHKLPSM-QGZVFWFLSA-N 1 1 362.430 2.226 20 5 FEBDMO O=C1[C@H]([N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000459656448 560700519 /nfs/dbraw/zinc/70/05/19/560700519.db2.gz DXGJWKZQNVZBEO-BRWVUGGUSA-N 1 1 357.410 2.201 20 5 FEBDMO CCOc1cc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000467020995 560901641 /nfs/dbraw/zinc/90/16/41/560901641.db2.gz DAIHEBCVCZFTDS-FZMZJTMJSA-N 1 1 363.414 2.215 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CC[C@H]1CCCO1 ZINC000467134509 560904515 /nfs/dbraw/zinc/90/45/15/560904515.db2.gz XJZSQEOYGGYPIS-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCO1 ZINC000467149197 560904966 /nfs/dbraw/zinc/90/49/66/560904966.db2.gz RYBTZRVBVIJBBR-AWEZNQCLSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000467724297 560915994 /nfs/dbraw/zinc/91/59/94/560915994.db2.gz RWHCHRDSYYAAOE-RHSMWYFYSA-N 1 1 372.469 2.410 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCO1 ZINC000470151734 560975613 /nfs/dbraw/zinc/97/56/13/560975613.db2.gz JUGIKMHTZRTNNN-GFCCVEGCSA-N 1 1 354.382 2.356 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000470173732 560976046 /nfs/dbraw/zinc/97/60/46/560976046.db2.gz NFEFGKZBVVJADP-XAVZPLJISA-N 1 1 372.469 2.237 20 5 FEBDMO CC(C)(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc([N+](=O)[O-])cn1 ZINC000471296255 561002085 /nfs/dbraw/zinc/00/20/85/561002085.db2.gz FYNPFEQOCVOPPD-MRXNPFEDSA-N 1 1 371.441 2.165 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000471802010 561012070 /nfs/dbraw/zinc/01/20/70/561012070.db2.gz YWIUUFWTKZTAIU-CVEARBPZSA-N 1 1 371.441 2.439 20 5 FEBDMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472237468 561021581 /nfs/dbraw/zinc/02/15/81/561021581.db2.gz DHEVUEKCSLHQTF-HOCLYGCPSA-N 1 1 350.419 2.235 20 5 FEBDMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000472237468 561021582 /nfs/dbraw/zinc/02/15/82/561021582.db2.gz DHEVUEKCSLHQTF-HOCLYGCPSA-N 1 1 350.419 2.235 20 5 FEBDMO CC[C@@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCS1 ZINC000475692014 561102396 /nfs/dbraw/zinc/10/23/96/561102396.db2.gz FNNIOCNTKZHDDW-CYBMUJFWSA-N 1 1 354.428 2.474 20 5 FEBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCS1 ZINC000475692014 561102397 /nfs/dbraw/zinc/10/23/97/561102397.db2.gz FNNIOCNTKZHDDW-CYBMUJFWSA-N 1 1 354.428 2.474 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722719 561103255 /nfs/dbraw/zinc/10/32/55/561103255.db2.gz STDDJWULRFRNRM-HUUCEWRRSA-N 1 1 364.398 2.005 20 5 FEBDMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000534959865 562546213 /nfs/dbraw/zinc/54/62/13/562546213.db2.gz NTXCVAULBUUUNF-GDBMZVCRSA-N 1 1 372.425 2.449 20 5 FEBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000535263797 562554530 /nfs/dbraw/zinc/55/45/30/562554530.db2.gz BEWJLRVJBQCZNA-SFHVURJKSA-N 1 1 370.409 2.460 20 5 FEBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000535263797 562554531 /nfs/dbraw/zinc/55/45/31/562554531.db2.gz BEWJLRVJBQCZNA-SFHVURJKSA-N 1 1 370.409 2.460 20 5 FEBDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000535315574 562555811 /nfs/dbraw/zinc/55/58/11/562555811.db2.gz YGVUHRHGQJVTEY-CYBMUJFWSA-N 1 1 354.370 2.368 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCCC(=O)NC)CC1 ZINC000535798691 562568348 /nfs/dbraw/zinc/56/83/48/562568348.db2.gz VVZIODQBEQHELY-UHFFFAOYSA-N 1 1 365.430 2.111 20 5 FEBDMO CC(=O)NC1CCC([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000541314889 562608773 /nfs/dbraw/zinc/60/87/73/562608773.db2.gz PQQVGPAZUDJCSJ-UHFFFAOYSA-N 1 1 362.430 2.221 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000569774662 568423649 /nfs/dbraw/zinc/42/36/49/568423649.db2.gz UIOUKXMBCSCLDQ-UHFFFAOYSA-N 1 1 364.471 2.423 20 5 FEBDMO CN(CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)CC[NH+](C)C ZINC000569774662 568423650 /nfs/dbraw/zinc/42/36/50/568423650.db2.gz UIOUKXMBCSCLDQ-UHFFFAOYSA-N 1 1 364.471 2.423 20 5 FEBDMO Cc1cc(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc(N2CCCC2)[nH+]1 ZINC000569869631 568432136 /nfs/dbraw/zinc/43/21/36/568432136.db2.gz SFTFHOGIAVZWSJ-UHFFFAOYSA-N 1 1 372.429 2.146 20 5 FEBDMO CCCC[N@@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736452162 598498984 /nfs/dbraw/zinc/49/89/84/598498984.db2.gz AMRQNNWXOYMCNJ-UHFFFAOYSA-N 1 1 374.449 2.118 20 5 FEBDMO C[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000820280718 606709216 /nfs/dbraw/zinc/70/92/16/606709216.db2.gz NEZGTFDFOGMVAA-LBPRGKRZSA-N 1 1 368.401 2.102 20 5 FEBDMO CC1(C)CC(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000560263089 674573754 /nfs/dbraw/zinc/57/37/54/674573754.db2.gz WJCMWFXDLNDQNW-AWEZNQCLSA-N 1 1 351.447 2.233 20 5 FEBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000815018453 674897888 /nfs/dbraw/zinc/89/78/88/674897888.db2.gz QBSFRIFGFXYWGN-RKDXNWHRSA-N 1 1 365.814 2.148 20 5 FEBDMO C[C@H](C(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000574941514 671287693 /nfs/dbraw/zinc/28/76/93/671287693.db2.gz BNRYDMWKMDHLOD-HNNXBMFYSA-N 1 1 350.463 2.040 20 5 FEBDMO C[C@H](C(=O)N(C)CCCN(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000574941514 671287696 /nfs/dbraw/zinc/28/76/96/671287696.db2.gz BNRYDMWKMDHLOD-HNNXBMFYSA-N 1 1 350.463 2.040 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@]3(CCSC3)C2)cccc1[N+](=O)[O-] ZINC000575043335 671294797 /nfs/dbraw/zinc/29/47/97/671294797.db2.gz VKWPSNKRZHFUSX-QGZVFWFLSA-N 1 1 365.455 2.440 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000609269184 675916279 /nfs/dbraw/zinc/91/62/79/675916279.db2.gz MRAHZVQRRPHLGE-KGLIPLIRSA-N 1 1 367.471 2.302 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000578009290 671634217 /nfs/dbraw/zinc/63/42/17/671634217.db2.gz NWDMYPIZXWJZKB-GJZGRUSLSA-N 1 1 353.444 2.062 20 5 FEBDMO CC(C)(CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000578187150 671647186 /nfs/dbraw/zinc/64/71/86/671647186.db2.gz RDRYOEKKNLIOGX-MRXNPFEDSA-N 1 1 351.447 2.046 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579516487 671741604 /nfs/dbraw/zinc/74/16/04/671741604.db2.gz NAGUOWUKLSAQFO-GUTXKFCHSA-N 1 1 351.451 2.198 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000579516487 671741605 /nfs/dbraw/zinc/74/16/05/671741605.db2.gz NAGUOWUKLSAQFO-GUTXKFCHSA-N 1 1 351.451 2.198 20 5 FEBDMO CS[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1N(C)C ZINC000580209942 671790512 /nfs/dbraw/zinc/79/05/12/671790512.db2.gz SEAKJKSHVPUGET-HOTGVXAUSA-N 1 1 366.487 2.209 20 5 FEBDMO CS[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+](C)C ZINC000580209942 671790514 /nfs/dbraw/zinc/79/05/14/671790514.db2.gz SEAKJKSHVPUGET-HOTGVXAUSA-N 1 1 366.487 2.209 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)cs1 ZINC000120023210 671914538 /nfs/dbraw/zinc/91/45/38/671914538.db2.gz IMCINYHXVWNGJB-UHFFFAOYSA-N 1 1 359.473 2.295 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000610135258 675956169 /nfs/dbraw/zinc/95/61/69/675956169.db2.gz NXGHOGJUBHNIIG-QWHCGFSZSA-N 1 1 371.459 2.097 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)C1 ZINC000121745289 671956341 /nfs/dbraw/zinc/95/63/41/671956341.db2.gz SZDUESJOUUTTLR-GFCCVEGCSA-N 1 1 355.822 2.317 20 5 FEBDMO COCC[N@H+]1[C@H](C)CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000122434280 671966573 /nfs/dbraw/zinc/96/65/73/671966573.db2.gz OLRZCHLJRCEMBQ-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO COCC[N@@H+]1[C@H](C)CN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000122434280 671966574 /nfs/dbraw/zinc/96/65/74/671966574.db2.gz OLRZCHLJRCEMBQ-TXEJJXNPSA-N 1 1 355.822 2.429 20 5 FEBDMO C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000610272753 675964190 /nfs/dbraw/zinc/96/41/90/675964190.db2.gz JKMNFDHCDYNIRO-XWIASGKRSA-N 1 1 355.341 2.295 20 5 FEBDMO C[N@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(C)(C)CO ZINC000610391521 675968952 /nfs/dbraw/zinc/96/89/52/675968952.db2.gz IMGHSHLJDOQLOM-UHFFFAOYSA-N 1 1 364.427 2.360 20 5 FEBDMO C[N@@H+](CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(C)(C)CO ZINC000610391521 675968954 /nfs/dbraw/zinc/96/89/54/675968954.db2.gz IMGHSHLJDOQLOM-UHFFFAOYSA-N 1 1 364.427 2.360 20 5 FEBDMO CN(C)c1ccc(COC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000130290861 672073645 /nfs/dbraw/zinc/07/36/45/672073645.db2.gz MCSPJDMKKRTPEM-CYBMUJFWSA-N 1 1 353.444 2.141 20 5 FEBDMO CN(C)c1ccc(COC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000130290861 672073651 /nfs/dbraw/zinc/07/36/51/672073651.db2.gz MCSPJDMKKRTPEM-CYBMUJFWSA-N 1 1 353.444 2.141 20 5 FEBDMO O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000588863079 672486725 /nfs/dbraw/zinc/48/67/25/672486725.db2.gz OWAJLWLANPWZAZ-UONOGXRCSA-N 1 1 361.423 2.091 20 5 FEBDMO CC[N@@H+](C[C@H]1CCOC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204937 676024534 /nfs/dbraw/zinc/02/45/34/676024534.db2.gz BUCLDBPVDICVHY-QWHCGFSZSA-N 1 1 351.403 2.289 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000590749415 672609689 /nfs/dbraw/zinc/60/96/89/672609689.db2.gz FJPQDYVNKMVTPE-QGPMSJSTSA-N 1 1 350.415 2.226 20 5 FEBDMO CC[C@@H]1CCCC[N@@H+]1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740879 672707116 /nfs/dbraw/zinc/70/71/16/672707116.db2.gz BRLKKXPBRYROOK-NVXWUHKLSA-N 1 1 351.447 2.189 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591740879 672707118 /nfs/dbraw/zinc/70/71/18/672707118.db2.gz BRLKKXPBRYROOK-NVXWUHKLSA-N 1 1 351.447 2.189 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592189370 672769594 /nfs/dbraw/zinc/76/95/94/672769594.db2.gz SWYHWLRHSINTRA-ZBFHGGJFSA-N 1 1 350.415 2.368 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)n2)cc1 ZINC000246572145 672838962 /nfs/dbraw/zinc/83/89/62/672838962.db2.gz BUELNWGPKAPYRR-HUUCEWRRSA-N 1 1 361.427 2.017 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCS[C@@H]4COCC[C@H]43)n2)cc1 ZINC000246572145 672838965 /nfs/dbraw/zinc/83/89/65/672838965.db2.gz BUELNWGPKAPYRR-HUUCEWRRSA-N 1 1 361.427 2.017 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C[C@H](C)C(=O)OC)C2CC2)c1 ZINC000593008182 672863330 /nfs/dbraw/zinc/86/33/30/672863330.db2.gz QIHSVNONUJAKSE-NSHDSACASA-N 1 1 350.371 2.155 20 5 FEBDMO COc1cc(C(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000593187986 672888358 /nfs/dbraw/zinc/88/83/58/672888358.db2.gz SMBCXZWSPBVEAX-GRYCIOLGSA-N 1 1 351.403 2.165 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000262297333 672912722 /nfs/dbraw/zinc/91/27/22/672912722.db2.gz WVMPRLIMZTWTRK-LLVKDONJSA-N 1 1 365.386 2.421 20 5 FEBDMO Cc1c(Br)c(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000612448998 676082730 /nfs/dbraw/zinc/08/27/30/676082730.db2.gz FBFITHNMMDCAEM-GXSJLCMTSA-N 1 1 359.224 2.192 20 5 FEBDMO Cc1c(Br)c(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ncc1[N+](=O)[O-] ZINC000612448998 676082733 /nfs/dbraw/zinc/08/27/33/676082733.db2.gz FBFITHNMMDCAEM-GXSJLCMTSA-N 1 1 359.224 2.192 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594591196 673103601 /nfs/dbraw/zinc/10/36/01/673103601.db2.gz HALPVYSJQCYSSF-UPJWGTAASA-N 1 1 351.403 2.291 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594591196 673103606 /nfs/dbraw/zinc/10/36/06/673103606.db2.gz HALPVYSJQCYSSF-UPJWGTAASA-N 1 1 351.403 2.291 20 5 FEBDMO Cc1sc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793081 673144939 /nfs/dbraw/zinc/14/49/39/673144939.db2.gz UOGGYYSFXOXNKQ-LLVKDONJSA-N 1 1 361.489 2.363 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000594799807 673147269 /nfs/dbraw/zinc/14/72/69/673147269.db2.gz RXCIJFVYWRHWKZ-CYBMUJFWSA-N 1 1 355.460 2.363 20 5 FEBDMO CCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](CC)C1 ZINC000595131799 673198653 /nfs/dbraw/zinc/19/86/53/673198653.db2.gz OYMDBVQUPQNIOM-LBPRGKRZSA-N 1 1 368.821 2.129 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000595411718 673246148 /nfs/dbraw/zinc/24/61/48/673246148.db2.gz SBHFDEMESWHXGE-HNNXBMFYSA-N 1 1 367.471 2.304 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595679777 673282805 /nfs/dbraw/zinc/28/28/05/673282805.db2.gz YCAAJCZZYMLWRR-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595679777 673282813 /nfs/dbraw/zinc/28/28/13/673282813.db2.gz YCAAJCZZYMLWRR-SWLSCSKDSA-N 1 1 351.403 2.025 20 5 FEBDMO COC(=O)c1c(Cl)c(N2CC[C@@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000596141730 673362685 /nfs/dbraw/zinc/36/26/85/673362685.db2.gz NYUDWNZIKFNUFO-LLVKDONJSA-N 1 1 351.790 2.485 20 5 FEBDMO COC(=O)c1c(Cl)c(N2CCN(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000596211743 673368334 /nfs/dbraw/zinc/36/83/34/673368334.db2.gz VHOZQRRSLXDJQX-UHFFFAOYSA-N 1 1 365.777 2.085 20 5 FEBDMO COC(=O)c1c(Cl)c(NC[C@@H]2CCC[N@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000596259340 673372461 /nfs/dbraw/zinc/37/24/61/673372461.db2.gz QVGKGNZIBOVYTH-NSHDSACASA-N 1 1 371.821 2.294 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)O[NH+]=C(N)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000732570794 673372673 /nfs/dbraw/zinc/37/26/73/673372673.db2.gz WAXUMVZHPAMACK-NSHDSACASA-N 1 1 350.375 2.155 20 5 FEBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000596361871 673379481 /nfs/dbraw/zinc/37/94/81/673379481.db2.gz KSDAJRCMDMANOB-NSHDSACASA-N 1 1 374.283 2.436 20 5 FEBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000596361871 673379483 /nfs/dbraw/zinc/37/94/83/673379483.db2.gz KSDAJRCMDMANOB-NSHDSACASA-N 1 1 374.283 2.436 20 5 FEBDMO C[C@@H]1COCC[N@H+]1C1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000597678574 673498485 /nfs/dbraw/zinc/49/84/85/673498485.db2.gz LQTNKQRZRVGJQR-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO CCC[N@H+]1CC[C@@H](NC(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])C1 ZINC000598343371 673561552 /nfs/dbraw/zinc/56/15/52/673561552.db2.gz WHVXTYWIZZZHLX-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1[N+](=O)[O-] ZINC000598608641 673589786 /nfs/dbraw/zinc/58/97/86/673589786.db2.gz OIFCJYBLUPXLJZ-HUUCEWRRSA-N 1 1 367.471 2.316 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000543208303 673632729 /nfs/dbraw/zinc/63/27/29/673632729.db2.gz SJBJYCRBKXHCEI-HOCLYGCPSA-N 1 1 369.487 2.173 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1C ZINC000740841185 673656820 /nfs/dbraw/zinc/65/68/20/673656820.db2.gz NAWFCLSEFDDABY-YPMHNXCESA-N 1 1 350.375 2.448 20 5 FEBDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000543990871 673681904 /nfs/dbraw/zinc/68/19/04/673681904.db2.gz YMKHWXYEVJLBCL-JTQLQIEISA-N 1 1 353.375 2.232 20 5 FEBDMO Cc1sc(C(=O)N2CCC([N@H+]3CCCOCC3)CC2)cc1[N+](=O)[O-] ZINC000600007006 673733660 /nfs/dbraw/zinc/73/36/60/673733660.db2.gz KDWNNMUMGUCVEE-UHFFFAOYSA-N 1 1 353.444 2.292 20 5 FEBDMO CN(C)S(=O)(=O)[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601165389 673830232 /nfs/dbraw/zinc/83/02/32/673830232.db2.gz NRRYULUTFWZKKK-CYBMUJFWSA-N 1 1 364.427 2.003 20 5 FEBDMO C[C@@H](C[N@H+](C)CCCN(C)C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601192450 673832173 /nfs/dbraw/zinc/83/21/73/673832173.db2.gz WECSGPNVFWKBIF-JTQLQIEISA-N 1 1 366.388 2.031 20 5 FEBDMO C[C@@H](C[N@@H+](C)CCCN(C)C)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601192450 673832176 /nfs/dbraw/zinc/83/21/76/673832176.db2.gz WECSGPNVFWKBIF-JTQLQIEISA-N 1 1 366.388 2.031 20 5 FEBDMO O=c1c(Cl)cc([N+](=O)[O-])cn1C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601958225 673900196 /nfs/dbraw/zinc/90/01/96/673900196.db2.gz YVECMMWRMGHGCV-QGZVFWFLSA-N 1 1 363.801 2.047 20 5 FEBDMO COc1cc(CN2CCC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000566425382 675212800 /nfs/dbraw/zinc/21/28/00/675212800.db2.gz VZITWMZUSYMKHD-AWEZNQCLSA-N 1 1 353.394 2.039 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000825644193 675662216 /nfs/dbraw/zinc/66/22/16/675662216.db2.gz XRDAGTDIALJUQE-NEPJUHHUSA-N 1 1 353.806 2.150 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825797237 675669439 /nfs/dbraw/zinc/66/94/39/675669439.db2.gz SJNBQYHJDTTZKI-SNVBAGLBSA-N 1 1 371.235 2.357 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)cc1SC ZINC000827318246 675747718 /nfs/dbraw/zinc/74/77/18/675747718.db2.gz FSRJJYVXJOZLIU-DGCLKSJQSA-N 1 1 365.455 2.492 20 5 FEBDMO Cc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603659078 675800685 /nfs/dbraw/zinc/80/06/85/675800685.db2.gz YGJFSHZQLDEHQP-OCCSQVGLSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000603662536 675800722 /nfs/dbraw/zinc/80/07/22/675800722.db2.gz MFMAAVNGTLGJFN-GFCCVEGCSA-N 1 1 355.460 2.222 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCCCNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)C1 ZINC000603930367 675802127 /nfs/dbraw/zinc/80/21/27/675802127.db2.gz RUVGEDFLVSKCDU-CYBMUJFWSA-N 1 1 370.475 2.166 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000828248450 675809140 /nfs/dbraw/zinc/80/91/40/675809140.db2.gz GRQJOOAOTCVIAA-UWVGGRQHSA-N 1 1 368.821 2.371 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000828248450 675809144 /nfs/dbraw/zinc/80/91/44/675809144.db2.gz GRQJOOAOTCVIAA-UWVGGRQHSA-N 1 1 368.821 2.371 20 5 FEBDMO NC(=O)C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839506064 680757843 /nfs/dbraw/zinc/75/78/43/680757843.db2.gz WETRTDDKAOSPCE-SNVBAGLBSA-N 1 1 356.220 2.445 20 5 FEBDMO NC(=O)C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839506064 680757845 /nfs/dbraw/zinc/75/78/45/680757845.db2.gz WETRTDDKAOSPCE-SNVBAGLBSA-N 1 1 356.220 2.445 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000765208182 680835507 /nfs/dbraw/zinc/83/55/07/680835507.db2.gz KTJWPLYJNNAIED-GXFFZTMASA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000765208182 680835510 /nfs/dbraw/zinc/83/55/10/680835510.db2.gz KTJWPLYJNNAIED-GXFFZTMASA-N 1 1 373.862 2.318 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831818766 680048241 /nfs/dbraw/zinc/04/82/41/680048241.db2.gz PIASYIYYBWSTCT-UHFFFAOYSA-N 1 1 353.423 2.171 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000749990437 680093638 /nfs/dbraw/zinc/09/36/38/680093638.db2.gz VWQKMXWWGZIDRN-GFCCVEGCSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(Cl)c3[N+](=O)[O-])C2)CC1 ZINC000749990437 680093640 /nfs/dbraw/zinc/09/36/40/680093640.db2.gz VWQKMXWWGZIDRN-GFCCVEGCSA-N 1 1 366.849 2.147 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000832765383 680174348 /nfs/dbraw/zinc/17/43/48/680174348.db2.gz WURPCGXCRFNYOE-LBPRGKRZSA-N 1 1 359.423 2.146 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)c1F ZINC000834591713 680244594 /nfs/dbraw/zinc/24/45/94/680244594.db2.gz CESBCVHWMGADKT-MNOVXSKESA-N 1 1 357.332 2.440 20 5 FEBDMO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2Cl)C1)[C@@H]1CC1[N+](=O)[O-] ZINC000983652332 680318010 /nfs/dbraw/zinc/31/80/10/680318010.db2.gz BCPBFWCPQPWHCI-XIDUGBJDSA-N 1 1 355.797 2.129 20 5 FEBDMO CC(C)(C)c1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)cs1 ZINC000996440871 680332523 /nfs/dbraw/zinc/33/25/23/680332523.db2.gz NTNJSJHPPCIWCM-ZIAGYGMSSA-N 1 1 366.487 2.186 20 5 FEBDMO Cc1nc(C)c(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001029964719 680394216 /nfs/dbraw/zinc/39/42/16/680394216.db2.gz VVXAWGLPYBIEQW-HUUCEWRRSA-N 1 1 366.487 2.096 20 5 FEBDMO Cc1nc(C)c(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001029964719 680394221 /nfs/dbraw/zinc/39/42/21/680394221.db2.gz VVXAWGLPYBIEQW-HUUCEWRRSA-N 1 1 366.487 2.096 20 5 FEBDMO Cc1nc(C)c(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)s1 ZINC001029964719 680394226 /nfs/dbraw/zinc/39/42/26/680394226.db2.gz VVXAWGLPYBIEQW-HUUCEWRRSA-N 1 1 366.487 2.096 20 5 FEBDMO Cc1nc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC001029964606 680394483 /nfs/dbraw/zinc/39/44/83/680394483.db2.gz QRZHGRAJOOJBQX-GDBMZVCRSA-N 1 1 366.487 2.096 20 5 FEBDMO C[N@@H+](CCCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000836124831 680424324 /nfs/dbraw/zinc/42/43/24/680424324.db2.gz GSXBNBKUEDSBRY-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO C[N@@H+](Cc1cccc(F)c1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985432210 680447810 /nfs/dbraw/zinc/44/78/10/680447810.db2.gz XIOJCPOASXGCBP-UKRRQHHQSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@H+](Cc1cccc(F)c1F)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985432210 680447811 /nfs/dbraw/zinc/44/78/11/680447811.db2.gz XIOJCPOASXGCBP-UKRRQHHQSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@@H+](Cc1cccc(F)c1F)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985432210 680447812 /nfs/dbraw/zinc/44/78/12/680447812.db2.gz XIOJCPOASXGCBP-UKRRQHHQSA-N 1 1 353.369 2.053 20 5 FEBDMO O=C(NCC1CC[NH+](CCc2ccc(Cl)cc2)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001001399193 680459805 /nfs/dbraw/zinc/45/98/05/680459805.db2.gz JLHXHXAZTMPFKN-IAGOWNOFSA-N 1 1 365.861 2.376 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000836948440 680533168 /nfs/dbraw/zinc/53/31/68/680533168.db2.gz AHKRFNGLSUNOQV-JTQLQIEISA-N 1 1 371.235 2.309 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000836948440 680533170 /nfs/dbraw/zinc/53/31/70/680533170.db2.gz AHKRFNGLSUNOQV-JTQLQIEISA-N 1 1 371.235 2.309 20 5 FEBDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)s1 ZINC001005382241 680573487 /nfs/dbraw/zinc/57/34/87/680573487.db2.gz OQXNJSGUYMCHFZ-HZPDHXFCSA-N 1 1 351.472 2.453 20 5 FEBDMO Cc1c(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000838142482 680675594 /nfs/dbraw/zinc/67/55/94/680675594.db2.gz NSOFZWIUGBCZSD-GFCCVEGCSA-N 1 1 350.375 2.273 20 5 FEBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000842509841 680951397 /nfs/dbraw/zinc/95/13/97/680951397.db2.gz JBPKILAIZBGWSL-UHFFFAOYSA-N 1 1 366.849 2.194 20 5 FEBDMO O=C(NC1CCC([NH+]2CCNCC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000842509892 680951474 /nfs/dbraw/zinc/95/14/74/680951474.db2.gz KKPIDBZOVLRUEO-UHFFFAOYSA-N 1 1 366.849 2.194 20 5 FEBDMO C[N@@H+]1CCO[C@@H](CSCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842652708 680957254 /nfs/dbraw/zinc/95/72/54/680957254.db2.gz XBOSWLSKBBXZDT-LLVKDONJSA-N 1 1 359.835 2.251 20 5 FEBDMO C[N@H+]1CCO[C@@H](CSCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000842652708 680957256 /nfs/dbraw/zinc/95/72/56/680957256.db2.gz XBOSWLSKBBXZDT-LLVKDONJSA-N 1 1 359.835 2.251 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000912537729 685394469 /nfs/dbraw/zinc/39/44/69/685394469.db2.gz JGZCMCRKKNHDKY-UHFFFAOYSA-N 1 1 371.796 2.324 20 5 FEBDMO CC[NH2+]Cc1noc(-c2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000843141926 680989668 /nfs/dbraw/zinc/98/96/68/680989668.db2.gz WMILHJPMEQTQKZ-UHFFFAOYSA-N 1 1 374.138 2.359 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000769908436 681000131 /nfs/dbraw/zinc/00/01/31/681000131.db2.gz QEUVQIDADGKKEI-MFKMUULPSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000769908436 681000132 /nfs/dbraw/zinc/00/01/32/681000132.db2.gz QEUVQIDADGKKEI-MFKMUULPSA-N 1 1 373.862 2.318 20 5 FEBDMO COCCOCC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000844466859 681060670 /nfs/dbraw/zinc/06/06/70/681060670.db2.gz FXCPRWVLAPORDA-UHFFFAOYSA-N 1 1 357.838 2.029 20 5 FEBDMO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000846017043 681173750 /nfs/dbraw/zinc/17/37/50/681173750.db2.gz AKNJBGVMRTWZHG-UHFFFAOYSA-N 1 1 370.837 2.281 20 5 FEBDMO CC(=O)NC1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000775061636 681271885 /nfs/dbraw/zinc/27/18/85/681271885.db2.gz ZVODQFVXVDYECX-UHFFFAOYSA-N 1 1 350.375 2.382 20 5 FEBDMO O=C1NCC[C@@H]1CC[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000846895138 681304370 /nfs/dbraw/zinc/30/43/70/681304370.db2.gz LUMRFTMSERCETO-SNVBAGLBSA-N 1 1 368.231 2.242 20 5 FEBDMO COc1cc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c([N+](=O)[O-])cc1F ZINC000933055720 681355673 /nfs/dbraw/zinc/35/56/73/681355673.db2.gz FJSQNMAKTWKWHE-ZDUSSCGKSA-N 1 1 354.378 2.248 20 5 FEBDMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCOC[C@@H]2C[C@H]2CCOC2)cc1 ZINC000933678176 681450155 /nfs/dbraw/zinc/45/01/55/681450155.db2.gz YOERLUVHUACELG-WBVHZDCISA-N 1 1 350.415 2.491 20 5 FEBDMO O=C(N1CC[C@H]([NH+]2CC=CC2)C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584360 681583632 /nfs/dbraw/zinc/58/36/32/681583632.db2.gz VZMWXQCOGXNSJD-ZDUSSCGKSA-N 1 1 353.325 2.039 20 5 FEBDMO CC(C)(C)[N@@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849412529 681720804 /nfs/dbraw/zinc/72/08/04/681720804.db2.gz QAGCEQUGCHMUGX-NSHDSACASA-N 1 1 361.851 2.399 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849412529 681720805 /nfs/dbraw/zinc/72/08/05/681720805.db2.gz QAGCEQUGCHMUGX-NSHDSACASA-N 1 1 361.851 2.399 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000935532492 681769469 /nfs/dbraw/zinc/76/94/69/681769469.db2.gz ISTWZIROYSFSEX-LBPRGKRZSA-N 1 1 367.471 2.234 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000935532492 681769474 /nfs/dbraw/zinc/76/94/74/681769474.db2.gz ISTWZIROYSFSEX-LBPRGKRZSA-N 1 1 367.471 2.234 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000779910098 681770260 /nfs/dbraw/zinc/77/02/60/681770260.db2.gz MRUWOYVIJKQNFZ-CMPLNLGQSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000779910098 681770264 /nfs/dbraw/zinc/77/02/64/681770264.db2.gz MRUWOYVIJKQNFZ-CMPLNLGQSA-N 1 1 373.862 2.318 20 5 FEBDMO CSc1ccc(C(=O)N2CC[NH+](CCCCCO)CC2)cc1[N+](=O)[O-] ZINC000913689368 685482165 /nfs/dbraw/zinc/48/21/65/685482165.db2.gz KVKFIEJWXRFQGM-UHFFFAOYSA-N 1 1 367.471 2.237 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781627186 681954226 /nfs/dbraw/zinc/95/42/26/681954226.db2.gz PWVIGEJDISNUJV-LBPRGKRZSA-N 1 1 352.391 2.282 20 5 FEBDMO O=C(OCCC[NH+]1CCOCC1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000781712997 681963485 /nfs/dbraw/zinc/96/34/85/681963485.db2.gz PLCKDLGVYWXPSB-UHFFFAOYSA-N 1 1 360.313 2.075 20 5 FEBDMO CC1([NH2+]Cc2csc(C3CC3)n2)CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000940107321 682030041 /nfs/dbraw/zinc/03/00/41/682030041.db2.gz IHEDNOMCEICBKN-ZIAGYGMSSA-N 1 1 364.471 2.156 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000917597545 685533215 /nfs/dbraw/zinc/53/32/15/685533215.db2.gz MSIADFIFEXYRBB-CYBMUJFWSA-N 1 1 352.460 2.052 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cc(Br)nn1C ZINC000785456868 682299151 /nfs/dbraw/zinc/29/91/51/682299151.db2.gz YSAXACINBVJXGH-UHFFFAOYSA-N 1 1 355.192 2.389 20 5 FEBDMO O=C1C[C@@]2(CC[N@@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)CN1 ZINC000789770558 682630454 /nfs/dbraw/zinc/63/04/54/682630454.db2.gz ZELBALCLZTWXPK-AWEZNQCLSA-N 1 1 354.204 2.069 20 5 FEBDMO O=C1C[C@@]2(CC[N@H+](Cc3c(Br)cccc3[N+](=O)[O-])C2)CN1 ZINC000789770558 682630459 /nfs/dbraw/zinc/63/04/59/682630459.db2.gz ZELBALCLZTWXPK-AWEZNQCLSA-N 1 1 354.204 2.069 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855286671 682653818 /nfs/dbraw/zinc/65/38/18/682653818.db2.gz VFEJESBGALCXHV-LLVKDONJSA-N 1 1 352.410 2.403 20 5 FEBDMO CC(C)N1CC[NH+](CCCOC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000791883355 682773014 /nfs/dbraw/zinc/77/30/14/682773014.db2.gz HWGRZPRFSGMHKP-UHFFFAOYSA-N 1 1 353.394 2.307 20 5 FEBDMO COC(=O)[C@]12C[N@@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]1COCC2 ZINC000793347222 682883720 /nfs/dbraw/zinc/88/37/20/682883720.db2.gz RDWIGGDWRCBPHO-BLLLJJGKSA-N 1 1 354.790 2.260 20 5 FEBDMO CCc1[nH]nc(C(=O)OCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000795614277 683073204 /nfs/dbraw/zinc/07/32/04/683073204.db2.gz UZMYJNNZJSXJHP-UHFFFAOYSA-N 1 1 350.350 2.308 20 5 FEBDMO O=C(CN1CC[NH+](CCCF)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000860010391 683187238 /nfs/dbraw/zinc/18/72/38/683187238.db2.gz WDLYLIAQAQVOQB-UHFFFAOYSA-N 1 1 358.801 2.164 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+](Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C1 ZINC000797414614 683248473 /nfs/dbraw/zinc/24/84/73/683248473.db2.gz ONWKDTQLUPRUHR-HNNXBMFYSA-N 1 1 350.400 2.287 20 5 FEBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000919853892 683303754 /nfs/dbraw/zinc/30/37/54/683303754.db2.gz PBTZQDGAFRBBJC-NWDGAFQWSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000919853892 683303756 /nfs/dbraw/zinc/30/37/56/683303756.db2.gz PBTZQDGAFRBBJC-NWDGAFQWSA-N 1 1 359.835 2.105 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000920315978 683334006 /nfs/dbraw/zinc/33/40/06/683334006.db2.gz SQSLLMADESHHCF-QWRGUYRKSA-N 1 1 359.835 2.153 20 5 FEBDMO Cc1cc(F)cc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000928097959 683387840 /nfs/dbraw/zinc/38/78/40/683387840.db2.gz XKETVFLPBJMHFB-UONOGXRCSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1cc(F)cc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000928097959 683387847 /nfs/dbraw/zinc/38/78/47/683387847.db2.gz XKETVFLPBJMHFB-UONOGXRCSA-N 1 1 353.419 2.352 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000928434155 683449882 /nfs/dbraw/zinc/44/98/82/683449882.db2.gz HMBSHPOGLRQQGT-ZANVPECISA-N 1 1 356.220 2.488 20 5 FEBDMO C[C@@H]1[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000928456112 683455658 /nfs/dbraw/zinc/45/56/58/683455658.db2.gz NTEWBRURSPVMHZ-BXKDBHETSA-N 1 1 361.320 2.358 20 5 FEBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000799581852 683469354 /nfs/dbraw/zinc/46/93/54/683469354.db2.gz JJMUSAYYFMZOJS-ZDUSSCGKSA-N 1 1 353.423 2.376 20 5 FEBDMO CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000799581852 683469358 /nfs/dbraw/zinc/46/93/58/683469358.db2.gz JJMUSAYYFMZOJS-ZDUSSCGKSA-N 1 1 353.423 2.376 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000930883803 683796572 /nfs/dbraw/zinc/79/65/72/683796572.db2.gz IRCKPVROOLFUET-JSGCOSHPSA-N 1 1 366.443 2.305 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866205566 684082912 /nfs/dbraw/zinc/08/29/12/684082912.db2.gz MTCQGMDWLXZYJF-NHYWBVRUSA-N 1 1 351.378 2.441 20 5 FEBDMO O=C1CC2(CCOCC2)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000872284957 684934868 /nfs/dbraw/zinc/93/48/68/684934868.db2.gz VLMQGTYNFBJGHQ-UHFFFAOYSA-N 1 1 353.806 2.119 20 5 FEBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CCN1 ZINC000872284957 684934871 /nfs/dbraw/zinc/93/48/71/684934871.db2.gz VLMQGTYNFBJGHQ-UHFFFAOYSA-N 1 1 353.806 2.119 20 5 FEBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872661977 684999703 /nfs/dbraw/zinc/99/97/03/684999703.db2.gz BFLYBVIKWXMROQ-RYUDHWBXSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000872661977 684999707 /nfs/dbraw/zinc/99/97/07/684999707.db2.gz BFLYBVIKWXMROQ-RYUDHWBXSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000872662536 684999784 /nfs/dbraw/zinc/99/97/84/684999784.db2.gz FWYSIHLVVGNIKO-OLZOCXBDSA-N 1 1 359.835 2.105 20 5 FEBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000872662536 684999789 /nfs/dbraw/zinc/99/97/89/684999789.db2.gz FWYSIHLVVGNIKO-OLZOCXBDSA-N 1 1 359.835 2.105 20 5 FEBDMO O=[N+]([O-])c1sc(C[NH2+]CCS(=O)(=O)C2CC2)cc1Br ZINC000877591104 686417250 /nfs/dbraw/zinc/41/72/50/686417250.db2.gz OXMJEDZVSWTHCI-UHFFFAOYSA-N 1 1 369.262 2.086 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000878169905 686534250 /nfs/dbraw/zinc/53/42/50/686534250.db2.gz WYVSZLVGWXPIEF-ZDUSSCGKSA-N 1 1 353.423 2.041 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879558194 686854653 /nfs/dbraw/zinc/85/46/53/686854653.db2.gz HUANODKARSKUCA-RYUDHWBXSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879558194 686854660 /nfs/dbraw/zinc/85/46/60/686854660.db2.gz HUANODKARSKUCA-RYUDHWBXSA-N 1 1 351.428 2.227 20 5 FEBDMO CC(C)[C@H]1CN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+]1C ZINC000879599752 686867006 /nfs/dbraw/zinc/86/70/06/686867006.db2.gz AGQVSMDDJTVYBH-OAHLLOKOSA-N 1 1 354.838 2.459 20 5 FEBDMO CC1(C)[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000880495454 687054208 /nfs/dbraw/zinc/05/42/08/687054208.db2.gz HMZFOQKCYHJJLR-ZIAGYGMSSA-N 1 1 367.833 2.477 20 5 FEBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000880500146 687054740 /nfs/dbraw/zinc/05/47/40/687054740.db2.gz TYERAJTXSKGHCY-LSDHHAIUSA-N 1 1 367.833 2.477 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1Cn1cc(CCC[NH+]2CCOCC2)nn1 ZINC000881353243 687126634 /nfs/dbraw/zinc/12/66/34/687126634.db2.gz YFSBAEJVBQKMRN-UHFFFAOYSA-N 1 1 365.821 2.153 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000884959451 687975848 /nfs/dbraw/zinc/97/58/48/687975848.db2.gz LOYQMUSWMYNXTR-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000884959453 687975912 /nfs/dbraw/zinc/97/59/12/687975912.db2.gz LOYQMUSWMYNXTR-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895569720 689736628 /nfs/dbraw/zinc/73/66/28/689736628.db2.gz MZAQMOCAMJYJIQ-QWHCGFSZSA-N 1 1 366.443 2.077 20 5 FEBDMO COC(=O)c1cc(C)nc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)c1[N+](=O)[O-] ZINC000895569720 689736630 /nfs/dbraw/zinc/73/66/30/689736630.db2.gz MZAQMOCAMJYJIQ-QWHCGFSZSA-N 1 1 366.443 2.077 20 5 FEBDMO CCC[N@@H+](CC)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906881347 691335570 /nfs/dbraw/zinc/33/55/70/691335570.db2.gz TWNWQBGKZNSHDQ-UHFFFAOYSA-N 1 1 351.403 2.218 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164770864 721292935 /nfs/dbraw/zinc/29/29/35/721292935.db2.gz WZTNHBZSYQTOHB-UHFFFAOYSA-N 1 1 360.414 2.089 20 5 FEBDMO COc1cc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164784324 721405879 /nfs/dbraw/zinc/40/58/79/721405879.db2.gz JMOGDFYHKIVQBE-VXGBXAGGSA-N 1 1 361.427 2.023 20 5 FEBDMO O=[N+]([O-])c1cccc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164984077 722105661 /nfs/dbraw/zinc/10/56/61/722105661.db2.gz RRDHSUWDEIFYLA-IRXDYDNUSA-N 1 1 369.425 2.112 20 5 FEBDMO CC(C)[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1)N1CC[NH+](C)CC1 ZINC000486428298 887893149 /nfs/dbraw/zinc/89/31/49/887893149.db2.gz BZXCEOZIZTWAOZ-MRXNPFEDSA-N 1 1 374.445 2.329 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025389408 539758844 /nfs/dbraw/zinc/75/88/44/539758844.db2.gz CHLRVFWQYCKKAD-UHFFFAOYSA-N 1 1 355.394 2.318 20 5 FEBDMO NC(=O)c1ccc(CN2CC[NH+](Cc3cccs3)CC2)c([N+](=O)[O-])c1 ZINC000027363730 539805858 /nfs/dbraw/zinc/80/58/58/539805858.db2.gz UXMXJCRSKWGMLQ-UHFFFAOYSA-N 1 1 360.439 2.073 20 5 FEBDMO CNC(=O)c1ccc(C[N@@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000029931543 539869402 /nfs/dbraw/zinc/86/94/02/539869402.db2.gz HEAYDDSMWOLRDL-UHFFFAOYSA-N 1 1 370.409 2.415 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000032441197 539939140 /nfs/dbraw/zinc/93/91/40/539939140.db2.gz BQJYOAWZSXPVAQ-STQMWFEESA-N 1 1 371.459 2.145 20 5 FEBDMO C[N@@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000032313965 539933955 /nfs/dbraw/zinc/93/39/55/539933955.db2.gz XPLWRHIQKILEIV-GOSISDBHSA-N 1 1 355.394 2.489 20 5 FEBDMO C[N@H+]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000032313965 539933960 /nfs/dbraw/zinc/93/39/60/539933960.db2.gz XPLWRHIQKILEIV-GOSISDBHSA-N 1 1 355.394 2.489 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000550141819 674083337 /nfs/dbraw/zinc/08/33/37/674083337.db2.gz JZFTYJOWIAMZGX-DLBZAZTESA-N 1 1 350.415 2.226 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCOC[C@@H]2CC2CCC2)c1 ZINC000550141819 674083342 /nfs/dbraw/zinc/08/33/42/674083342.db2.gz JZFTYJOWIAMZGX-DLBZAZTESA-N 1 1 350.415 2.226 20 5 FEBDMO Cc1cc(CN2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000041894678 540039117 /nfs/dbraw/zinc/03/91/17/540039117.db2.gz VCLQXULUAHGFTK-UHFFFAOYSA-N 1 1 373.413 2.038 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043121835 540089810 /nfs/dbraw/zinc/08/98/10/540089810.db2.gz RRIQUVYTEJZEKV-RWMBFGLXSA-N 1 1 366.418 2.223 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000043121835 540089813 /nfs/dbraw/zinc/08/98/13/540089813.db2.gz RRIQUVYTEJZEKV-RWMBFGLXSA-N 1 1 366.418 2.223 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000047145405 540292699 /nfs/dbraw/zinc/29/26/99/540292699.db2.gz KADCQILHTPEFES-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929403 540500878 /nfs/dbraw/zinc/50/08/78/540500878.db2.gz ZWETYWYQDNRVQH-ZFWWWQNUSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929403 540500881 /nfs/dbraw/zinc/50/08/81/540500881.db2.gz ZWETYWYQDNRVQH-ZFWWWQNUSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@@H](CNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)[N@@H+](C)C1CC1 ZINC000057702320 540809316 /nfs/dbraw/zinc/80/93/16/540809316.db2.gz JDCAANZHENSNLX-LBPRGKRZSA-N 1 1 357.414 2.208 20 5 FEBDMO C[C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[N@H+]1CCC[C@H](C)C1 ZINC000060645035 541120049 /nfs/dbraw/zinc/12/00/49/541120049.db2.gz WUQPLTCCWYUYSF-STQMWFEESA-N 1 1 363.414 2.216 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000064242635 541196211 /nfs/dbraw/zinc/19/62/11/541196211.db2.gz UIGCQVGKLCAPLA-VIFPVBQESA-N 1 1 361.470 2.299 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH+](CCc2cccs2)CC1 ZINC000065892548 541268622 /nfs/dbraw/zinc/26/86/22/541268622.db2.gz HNSAUODJGSWSPO-UHFFFAOYSA-N 1 1 374.466 2.455 20 5 FEBDMO CC(C)[C@@H]1C(=O)NCC[N@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000066498369 541328784 /nfs/dbraw/zinc/32/87/84/541328784.db2.gz MCZBFNXUMHFODE-QGZVFWFLSA-N 1 1 358.398 2.249 20 5 FEBDMO CC(C)[C@@H]1C(=O)NCC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000066498369 541328788 /nfs/dbraw/zinc/32/87/88/541328788.db2.gz MCZBFNXUMHFODE-QGZVFWFLSA-N 1 1 358.398 2.249 20 5 FEBDMO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[N@H+]1CCC[C@H](C)C1 ZINC000067137259 541422736 /nfs/dbraw/zinc/42/27/36/541422736.db2.gz OAQHGEYTMLERQO-KBPBESRZSA-N 1 1 372.429 2.026 20 5 FEBDMO Cc1c(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000067398125 541457166 /nfs/dbraw/zinc/45/71/66/541457166.db2.gz JHUZDOPUHBNHOM-STQMWFEESA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1ccc(NCCCNc2cc[nH+]c(N3CCOCC3)n2)c([N+](=O)[O-])c1 ZINC000542764420 541462751 /nfs/dbraw/zinc/46/27/51/541462751.db2.gz JAPUZNZOGKTFPI-UHFFFAOYSA-N 1 1 372.429 2.444 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000067634434 541493339 /nfs/dbraw/zinc/49/33/39/541493339.db2.gz IZJPGQQPNNXZLO-CYBMUJFWSA-N 1 1 365.430 2.462 20 5 FEBDMO CC[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@H+]1CCc2ccccc2C1 ZINC000068101431 541548962 /nfs/dbraw/zinc/54/89/62/541548962.db2.gz GMJCJGUSYQGPAQ-QGZVFWFLSA-N 1 1 371.441 2.135 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCc2sccc2C1 ZINC000068226342 541565850 /nfs/dbraw/zinc/56/58/50/541565850.db2.gz LEVDDBRGCSWELF-UHFFFAOYSA-N 1 1 360.439 2.243 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@H+]1CCc2sccc2C1 ZINC000068226342 541565853 /nfs/dbraw/zinc/56/58/53/541565853.db2.gz LEVDDBRGCSWELF-UHFFFAOYSA-N 1 1 360.439 2.243 20 5 FEBDMO CCOc1cc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c([N+](=O)[O-])cc1OC ZINC000069138633 541661909 /nfs/dbraw/zinc/66/19/09/541661909.db2.gz XLTGUWVBBPRQQD-ZDUSSCGKSA-N 1 1 365.430 2.464 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000070892007 541748821 /nfs/dbraw/zinc/74/88/21/541748821.db2.gz MVVGUWMNEYCEFZ-CYBMUJFWSA-N 1 1 363.414 2.360 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000072716228 541855913 /nfs/dbraw/zinc/85/59/13/541855913.db2.gz JWMBBZNQPSAGKN-OAHLLOKOSA-N 1 1 367.471 2.256 20 5 FEBDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000075766946 542202813 /nfs/dbraw/zinc/20/28/13/542202813.db2.gz XDUMSNRJFBRXRR-YPMHNXCESA-N 1 1 353.448 2.173 20 5 FEBDMO CCC[N@@H+](CCc1cccc(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743359 542201284 /nfs/dbraw/zinc/20/12/84/542201284.db2.gz RMHBWDFNZSYOEO-KRWDZBQOSA-N 1 1 350.394 2.246 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000078506424 542464420 /nfs/dbraw/zinc/46/44/20/542464420.db2.gz LZXIRPLYDPHUMH-INIZCTEOSA-N 1 1 354.410 2.404 20 5 FEBDMO C[C@H](O)C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512952 542465795 /nfs/dbraw/zinc/46/57/95/542465795.db2.gz LFOZKYDUEQWZHS-YOEHRIQHSA-N 1 1 352.431 2.350 20 5 FEBDMO CCC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000078681345 542475700 /nfs/dbraw/zinc/47/57/00/542475700.db2.gz PRLSZBGBBUMFHS-UHFFFAOYSA-N 1 1 360.208 2.000 20 5 FEBDMO CCC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000078681345 542475702 /nfs/dbraw/zinc/47/57/02/542475702.db2.gz PRLSZBGBBUMFHS-UHFFFAOYSA-N 1 1 360.208 2.000 20 5 FEBDMO CCC[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000079197892 542506648 /nfs/dbraw/zinc/50/66/48/542506648.db2.gz UTQMDNJISSWONE-OAHLLOKOSA-N 1 1 356.444 2.263 20 5 FEBDMO COCCC[N@H+]1CCCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000079443951 542518392 /nfs/dbraw/zinc/51/83/92/542518392.db2.gz IOYFGHNHORGRBC-UHFFFAOYSA-N 1 1 365.430 2.006 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000080653843 542599760 /nfs/dbraw/zinc/59/97/60/542599760.db2.gz QBGIAMOIQMMDQC-CYBMUJFWSA-N 1 1 353.394 2.291 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083424311 542697431 /nfs/dbraw/zinc/69/74/31/542697431.db2.gz QMHOUXSOGIBQQG-UHFFFAOYSA-N 1 1 358.402 2.230 20 5 FEBDMO O=C(CCc1cccc([N+](=O)[O-])c1)NCC1([NH+]2CCOCC2)CCCC1 ZINC000088391235 542750988 /nfs/dbraw/zinc/75/09/88/542750988.db2.gz CKHVKMOIXQVPAN-UHFFFAOYSA-N 1 1 361.442 2.289 20 5 FEBDMO CCc1nn(C)c(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC000092827137 542889876 /nfs/dbraw/zinc/88/98/76/542889876.db2.gz QPKXQUCOFTUMBA-UHFFFAOYSA-N 1 1 359.430 2.092 20 5 FEBDMO C[N@@H+](CCN1CCOCC1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000092974737 542899135 /nfs/dbraw/zinc/89/91/35/542899135.db2.gz YGSVOBLMQOWKSQ-UHFFFAOYSA-N 1 1 358.236 2.121 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000247432506 549332867 /nfs/dbraw/zinc/33/28/67/549332867.db2.gz OUICLGADOPXIOJ-OCCSQVGLSA-N 1 1 365.430 2.414 20 5 FEBDMO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000093311104 542925605 /nfs/dbraw/zinc/92/56/05/542925605.db2.gz WSEDZILTYGJMES-CQSZACIVSA-N 1 1 357.410 2.467 20 5 FEBDMO Cn1cc(C[N@@H+]2CC[C@](O)(C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093611507 542936503 /nfs/dbraw/zinc/93/65/03/542936503.db2.gz OBEZUASBXXVGTL-OAHLLOKOSA-N 1 1 370.331 2.494 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093611507 542936505 /nfs/dbraw/zinc/93/65/05/542936505.db2.gz OBEZUASBXXVGTL-OAHLLOKOSA-N 1 1 370.331 2.494 20 5 FEBDMO CC(C)c1ccc(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000093821187 542942155 /nfs/dbraw/zinc/94/21/55/542942155.db2.gz UASFBJYLBTXVMX-GOSISDBHSA-N 1 1 374.485 2.457 20 5 FEBDMO Cc1nn(C)c(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000098098118 543020515 /nfs/dbraw/zinc/02/05/15/543020515.db2.gz URYYYDQJUWAEEF-UHFFFAOYSA-N 1 1 371.441 2.203 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000107892140 543280973 /nfs/dbraw/zinc/28/09/73/543280973.db2.gz IDJHKJMRUOUHHP-ZDUSSCGKSA-N 1 1 357.414 2.067 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C[C@H](C)O1 ZINC000111274374 543391248 /nfs/dbraw/zinc/39/12/48/543391248.db2.gz GERTYSQYRNOALR-GXTWGEPZSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1nn(C)c(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000113899471 543497793 /nfs/dbraw/zinc/49/77/93/543497793.db2.gz HGMHVINUMXMYCJ-ZFWWWQNUSA-N 1 1 363.462 2.363 20 5 FEBDMO C[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000123744540 543780547 /nfs/dbraw/zinc/78/05/47/543780547.db2.gz KUOFQRLTYHNAIU-LBPRGKRZSA-N 1 1 359.423 2.134 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000127904709 544020980 /nfs/dbraw/zinc/02/09/80/544020980.db2.gz NBAXHMJXFRYMGK-AWEZNQCLSA-N 1 1 353.394 2.307 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000127904709 544020983 /nfs/dbraw/zinc/02/09/83/544020983.db2.gz NBAXHMJXFRYMGK-AWEZNQCLSA-N 1 1 353.394 2.307 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1SC ZINC000127258672 543981561 /nfs/dbraw/zinc/98/15/61/543981561.db2.gz DPEMAWFHIONCJO-GHMZBOCLSA-N 1 1 353.444 2.490 20 5 FEBDMO C[N@H+](Cc1cccc(OC(F)(F)F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000128177280 544036961 /nfs/dbraw/zinc/03/69/61/544036961.db2.gz KUUTURZGMNCBLS-CYBMUJFWSA-N 1 1 374.319 2.183 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129898124 544131498 /nfs/dbraw/zinc/13/14/98/544131498.db2.gz UYXXHCWALPHEFW-UHFFFAOYSA-N 1 1 369.381 2.151 20 5 FEBDMO COc1cc(C(=O)NCCCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1OC ZINC000129966203 544133912 /nfs/dbraw/zinc/13/39/12/544133912.db2.gz MDZDDOQTJNDUNP-UHFFFAOYSA-N 1 1 362.386 2.327 20 5 FEBDMO Cc1ccc(N2CCC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)cc1 ZINC000131289018 544184023 /nfs/dbraw/zinc/18/40/23/544184023.db2.gz JIMOKJDOXOPCOB-UHFFFAOYSA-N 1 1 356.426 2.277 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000130927621 544171002 /nfs/dbraw/zinc/17/10/02/544171002.db2.gz HPZQOJAPVKKJGS-OAHLLOKOSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@@H]1CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC[N@H+]1CCOC ZINC000130927621 544171003 /nfs/dbraw/zinc/17/10/03/544171003.db2.gz HPZQOJAPVKKJGS-OAHLLOKOSA-N 1 1 365.430 2.176 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)C1 ZINC000134056246 544292505 /nfs/dbraw/zinc/29/25/05/544292505.db2.gz OOECSBMQLUCKKB-GFCCVEGCSA-N 1 1 359.423 2.053 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000134539602 544312408 /nfs/dbraw/zinc/31/24/08/544312408.db2.gz NBCBDIUOMIRILM-TXEJJXNPSA-N 1 1 355.822 2.477 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])o1 ZINC000135546403 544351757 /nfs/dbraw/zinc/35/17/57/544351757.db2.gz MUTINTPVOPPCAI-HNNXBMFYSA-N 1 1 359.382 2.075 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000152297761 544635433 /nfs/dbraw/zinc/63/54/33/544635433.db2.gz SEMBTHSSKKTHNG-LBPRGKRZSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1C ZINC000152916788 544711018 /nfs/dbraw/zinc/71/10/18/544711018.db2.gz OLRRIKOLSCPOKV-ZBFHGGJFSA-N 1 1 367.471 2.316 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153981393 544849007 /nfs/dbraw/zinc/84/90/07/544849007.db2.gz ZEKPSWUBNLHITJ-GOEBONIOSA-N 1 1 359.426 2.449 20 5 FEBDMO COc1ccc(COC(=O)CCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000803511790 674247243 /nfs/dbraw/zinc/24/72/43/674247243.db2.gz AYORDRKUNHZEBS-UHFFFAOYSA-N 1 1 352.387 2.149 20 5 FEBDMO Cn1cc([C@H]2C[NH2+]CCN2C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cn1 ZINC000181404760 327728542 /nfs/dbraw/zinc/72/85/42/327728542.db2.gz VEODMEHFMRIZLM-QGZVFWFLSA-N 1 1 371.441 2.413 20 5 FEBDMO O=C(C[NH2+][C@@H](CCO)c1ccco1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000185130312 327901434 /nfs/dbraw/zinc/90/14/34/327901434.db2.gz NBXYDVAFKABETK-LBPRGKRZSA-N 1 1 353.762 2.493 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)n1 ZINC000191602418 328273487 /nfs/dbraw/zinc/27/34/87/328273487.db2.gz HTUPANDZFZSJMO-CYBMUJFWSA-N 1 1 373.413 2.457 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000191842769 328284393 /nfs/dbraw/zinc/28/43/93/328284393.db2.gz KHLAHZDDTLOVGH-UKRRQHHQSA-N 1 1 357.414 2.204 20 5 FEBDMO CNC(=O)C1CC[NH+](Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 ZINC000025755639 324421754 /nfs/dbraw/zinc/42/17/54/324421754.db2.gz SJYXJYAVWJEWGK-UHFFFAOYSA-N 1 1 373.356 2.163 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080125852 325118295 /nfs/dbraw/zinc/11/82/95/325118295.db2.gz KPNUWBJZFYMIJV-INIZCTEOSA-N 1 1 364.446 2.240 20 5 FEBDMO COC[C@](C)(CC(=O)OC)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089913393 325342396 /nfs/dbraw/zinc/34/23/96/325342396.db2.gz YEORODPDOPWYSY-KRWDZBQOSA-N 1 1 363.370 2.308 20 5 FEBDMO CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000116348541 326008771 /nfs/dbraw/zinc/00/87/71/326008771.db2.gz KIPWJYLTJBSQTA-DOTOQJQBSA-N 1 1 371.441 2.475 20 5 FEBDMO CC[C@H](O)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000118751917 326100754 /nfs/dbraw/zinc/10/07/54/326100754.db2.gz YUEZAXNMJWTYLY-LBPRGKRZSA-N 1 1 356.810 2.169 20 5 FEBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000121087806 326312309 /nfs/dbraw/zinc/31/23/09/326312309.db2.gz SRHRDORYWPLEHI-DYVFJYSZSA-N 1 1 357.414 2.193 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000122170613 326386438 /nfs/dbraw/zinc/38/64/38/326386438.db2.gz XHKABQBELVZLOY-GDBMZVCRSA-N 1 1 374.441 2.093 20 5 FEBDMO CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000129771988 326546193 /nfs/dbraw/zinc/54/61/93/326546193.db2.gz HIRZMSUMEUIAKW-UHFFFAOYSA-N 1 1 355.460 2.197 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162388235 327024391 /nfs/dbraw/zinc/02/43/91/327024391.db2.gz SKUDAIAVNBNHDX-IBGZPJMESA-N 1 1 371.441 2.271 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000164232277 327067104 /nfs/dbraw/zinc/06/71/04/327067104.db2.gz VABKQZMTMSFPDJ-GXTWGEPZSA-N 1 1 362.386 2.368 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000170734701 327096208 /nfs/dbraw/zinc/09/62/08/327096208.db2.gz HZBOWQDSWHSRSB-UONOGXRCSA-N 1 1 362.430 2.208 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000170734701 327096209 /nfs/dbraw/zinc/09/62/09/327096209.db2.gz HZBOWQDSWHSRSB-UONOGXRCSA-N 1 1 362.430 2.208 20 5 FEBDMO CCc1[nH]nc(C(=O)Nc2ccc(N3CCC[N@@H+](C)CC3)cc2)c1[N+](=O)[O-] ZINC000171803934 327162481 /nfs/dbraw/zinc/16/24/81/327162481.db2.gz XKILSXQRFQXXKY-UHFFFAOYSA-N 1 1 372.429 2.275 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172648039 327213249 /nfs/dbraw/zinc/21/32/49/327213249.db2.gz OEHLBMJEBNBEJP-UHFFFAOYSA-N 1 1 360.414 2.010 20 5 FEBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000173023962 327231029 /nfs/dbraw/zinc/23/10/29/327231029.db2.gz YIWXOEILHMGCRU-SNVBAGLBSA-N 1 1 359.835 2.011 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173045370 327232239 /nfs/dbraw/zinc/23/22/39/327232239.db2.gz LUHUEZHOGXYTCS-CRAIPNDOSA-N 1 1 363.458 2.391 20 5 FEBDMO Cc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000173290028 327247415 /nfs/dbraw/zinc/24/74/15/327247415.db2.gz DQXCJZTWYJJOFW-INIZCTEOSA-N 1 1 360.458 2.145 20 5 FEBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000173310094 327249001 /nfs/dbraw/zinc/24/90/01/327249001.db2.gz AFUHXCYCKYEQTI-UHFFFAOYSA-N 1 1 366.443 2.475 20 5 FEBDMO Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1[N+](=O)[O-] ZINC000173572344 327267776 /nfs/dbraw/zinc/26/77/76/327267776.db2.gz PCFRCCKWKCCJJT-MRXNPFEDSA-N 1 1 374.441 2.222 20 5 FEBDMO COc1ccc(NC(=O)CN(C)CC[C@H]2CCCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000173644015 327273216 /nfs/dbraw/zinc/27/32/16/327273216.db2.gz IBDRGUQDDNAHPD-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)C1 ZINC000174024186 327302477 /nfs/dbraw/zinc/30/24/77/327302477.db2.gz FMEJQVZCMCADKF-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000174477924 327329465 /nfs/dbraw/zinc/32/94/65/327329465.db2.gz PSNBCUVDQXSVOF-CQSZACIVSA-N 1 1 357.414 2.194 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000175034407 327369418 /nfs/dbraw/zinc/36/94/18/327369418.db2.gz JPTKEIWYNHMEHL-UONOGXRCSA-N 1 1 363.414 2.067 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000175272171 327383813 /nfs/dbraw/zinc/38/38/13/327383813.db2.gz JJJUPJPBRLOUFI-DZGCQCFKSA-N 1 1 370.409 2.478 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000176725376 327472288 /nfs/dbraw/zinc/47/22/88/327472288.db2.gz HMDALMBJVJMJOL-GFCCVEGCSA-N 1 1 371.846 2.191 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000264369841 329015439 /nfs/dbraw/zinc/01/54/39/329015439.db2.gz CMSQYGAPWBTMEH-QZEKMECESA-N 1 1 372.469 2.237 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000265099277 329090906 /nfs/dbraw/zinc/09/09/06/329090906.db2.gz XEBJZEZVQDSSPV-UONOGXRCSA-N 1 1 361.446 2.180 20 5 FEBDMO COc1cc(C(=O)NCC[N@@H+](C)C2CCCC2)cc([N+](=O)[O-])c1OC ZINC000265923141 329173127 /nfs/dbraw/zinc/17/31/27/329173127.db2.gz CLPXPENJKGJRBC-UHFFFAOYSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1[nH+]ccn1CCCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000266093993 329189554 /nfs/dbraw/zinc/18/95/54/329189554.db2.gz PXYDEFMLBRZKSH-UHFFFAOYSA-N 1 1 360.370 2.081 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000266816506 329262614 /nfs/dbraw/zinc/26/26/14/329262614.db2.gz XCBOQOMLZYEJBR-OAHLLOKOSA-N 1 1 364.446 2.477 20 5 FEBDMO C[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000267063012 329287797 /nfs/dbraw/zinc/28/77/97/329287797.db2.gz JCQDMKPGHXKPEC-STQMWFEESA-N 1 1 353.423 2.026 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000267498333 329333370 /nfs/dbraw/zinc/33/33/70/329333370.db2.gz RVCJINFFEZLVFY-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267560678 329338425 /nfs/dbraw/zinc/33/84/25/329338425.db2.gz UVXYPQFTSJUIOR-OLZOCXBDSA-N 1 1 353.444 2.061 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000267560678 329338426 /nfs/dbraw/zinc/33/84/26/329338426.db2.gz UVXYPQFTSJUIOR-OLZOCXBDSA-N 1 1 353.444 2.061 20 5 FEBDMO CCc1ccc([C@@H](COC)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000273215971 329846079 /nfs/dbraw/zinc/84/60/79/329846079.db2.gz CIAOUECAHLEMNZ-DZGCQCFKSA-N 1 1 364.398 2.467 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+](CCO)C3CCOCC3)o2)c1 ZINC000275580749 330066059 /nfs/dbraw/zinc/06/60/59/330066059.db2.gz PUUNTGVYTKZVQA-UHFFFAOYSA-N 1 1 361.398 2.266 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275858423 330097051 /nfs/dbraw/zinc/09/70/51/330097051.db2.gz XJDUASMQTFMQQE-LBPRGKRZSA-N 1 1 362.459 2.276 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275858423 330097053 /nfs/dbraw/zinc/09/70/53/330097053.db2.gz XJDUASMQTFMQQE-LBPRGKRZSA-N 1 1 362.459 2.276 20 5 FEBDMO COCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000276321923 330140794 /nfs/dbraw/zinc/14/07/94/330140794.db2.gz OVPGOASJEQGYJZ-UHFFFAOYSA-N 1 1 353.394 2.099 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])c1 ZINC000367074160 330213750 /nfs/dbraw/zinc/21/37/50/330213750.db2.gz NWWZVYWQRLMGAW-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO CC(=O)N1CC[C@H](C[N@@H+](C)CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000156712763 545651433 /nfs/dbraw/zinc/65/14/33/545651433.db2.gz UQSYGRRKDNGSOF-OAHLLOKOSA-N 1 1 362.430 2.032 20 5 FEBDMO CCOCCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000157718073 545773745 /nfs/dbraw/zinc/77/37/45/545773745.db2.gz YMDBCPZHVRKLDG-INIZCTEOSA-N 1 1 351.403 2.051 20 5 FEBDMO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)S(=O)(=O)c1cccs1 ZINC000158333475 545849240 /nfs/dbraw/zinc/84/92/40/545849240.db2.gz SULTVLBZMMAWMG-UHFFFAOYSA-N 1 1 361.470 2.128 20 5 FEBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000158623179 545878796 /nfs/dbraw/zinc/87/87/96/545878796.db2.gz HVZJAPLXKVPOOF-GFCCVEGCSA-N 1 1 371.434 2.371 20 5 FEBDMO O=C(N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000158662676 545881507 /nfs/dbraw/zinc/88/15/07/545881507.db2.gz BZTCFVVIWWLIRN-PKOBYXMFSA-N 1 1 369.421 2.208 20 5 FEBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000159386733 545949147 /nfs/dbraw/zinc/94/91/47/545949147.db2.gz UZBUDPOECWFCEM-BVBGJJFLSA-N 1 1 367.471 2.402 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159827282 545984181 /nfs/dbraw/zinc/98/41/81/545984181.db2.gz PQUWCRPRGYSSIF-IAGOWNOFSA-N 1 1 362.474 2.343 20 5 FEBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000172234674 546243034 /nfs/dbraw/zinc/24/30/34/546243034.db2.gz XJZOMTLKFKUSRF-AWEZNQCLSA-N 1 1 357.414 2.194 20 5 FEBDMO Cc1nc(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000175668663 546330316 /nfs/dbraw/zinc/33/03/16/546330316.db2.gz RFBHUVNJUVLVEH-SFHVURJKSA-N 1 1 369.425 2.225 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000480066368 561202353 /nfs/dbraw/zinc/20/23/53/561202353.db2.gz DWEUUIABGYIGIY-UHFFFAOYSA-N 1 1 364.494 2.114 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000176212953 546419839 /nfs/dbraw/zinc/41/98/39/546419839.db2.gz STCSYJWPTWEEDQ-UHFFFAOYSA-N 1 1 353.423 2.123 20 5 FEBDMO COC(=O)CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)c(F)c1 ZINC000176238996 546423005 /nfs/dbraw/zinc/42/30/05/546423005.db2.gz KXGYYJXUBNEZQJ-UHFFFAOYSA-N 1 1 368.340 2.135 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000176288126 546427858 /nfs/dbraw/zinc/42/78/58/546427858.db2.gz ZBTPHQSQRUFHGA-MRXNPFEDSA-N 1 1 357.414 2.076 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](Nc2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000480511148 561210869 /nfs/dbraw/zinc/21/08/69/561210869.db2.gz LSPWBQOIIKCXST-AWEZNQCLSA-N 1 1 357.414 2.454 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CCO1 ZINC000177313946 546592938 /nfs/dbraw/zinc/59/29/38/546592938.db2.gz MEWGNEJIERNNTL-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000178149244 546747356 /nfs/dbraw/zinc/74/73/56/546747356.db2.gz LEXXZNASVYBUNZ-UHFFFAOYSA-N 1 1 354.410 2.443 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180032065 547041476 /nfs/dbraw/zinc/04/14/76/547041476.db2.gz CBLIWEDRLNMEKY-MRXNPFEDSA-N 1 1 369.487 2.273 20 5 FEBDMO C[C@@H]([NH2+]CC(=O)N1CC(=O)Nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000180447427 547109257 /nfs/dbraw/zinc/10/92/57/547109257.db2.gz QKXRRHTVBFJCCV-GFCCVEGCSA-N 1 1 354.366 2.231 20 5 FEBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000180829561 547187148 /nfs/dbraw/zinc/18/71/48/547187148.db2.gz PKVOLCXKMYAOTI-GFCCVEGCSA-N 1 1 369.468 2.455 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000483033050 561265499 /nfs/dbraw/zinc/26/54/99/561265499.db2.gz RJTQTDNRULCUPY-CXAGYDPISA-N 1 1 363.414 2.192 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC(O[C@@H]4CCOC4)CC3)n2)c1 ZINC000483047317 561265837 /nfs/dbraw/zinc/26/58/37/561265837.db2.gz LTFGWFGGPOMTOD-MRXNPFEDSA-N 1 1 374.397 2.415 20 5 FEBDMO C[C@H](CO)[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC1CCC1 ZINC000483137538 561268512 /nfs/dbraw/zinc/26/85/12/561268512.db2.gz LRLZZAYURCLQNV-CYBMUJFWSA-N 1 1 363.414 2.376 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181563122 547336576 /nfs/dbraw/zinc/33/65/76/547336576.db2.gz ADVRVYSONJXMKR-GFCCVEGCSA-N 1 1 373.356 2.037 20 5 FEBDMO C[C@@H](O)C[N@@H+](CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000181786017 547380537 /nfs/dbraw/zinc/38/05/37/547380537.db2.gz WVMPZUCXELTPAF-CQSZACIVSA-N 1 1 370.471 2.384 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000181902124 547401103 /nfs/dbraw/zinc/40/11/03/547401103.db2.gz NDEOJHFJWBRTTG-KRWDZBQOSA-N 1 1 363.458 2.285 20 5 FEBDMO Cc1nn(CCC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000182523202 547507287 /nfs/dbraw/zinc/50/72/87/547507287.db2.gz QOJFKSGTGGPNRX-CQSZACIVSA-N 1 1 373.457 2.435 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000182822677 547558006 /nfs/dbraw/zinc/55/80/06/547558006.db2.gz VBLOREBDECSFHG-NSHDSACASA-N 1 1 358.324 2.344 20 5 FEBDMO Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)cc([N+](=O)[O-])c1 ZINC000183398822 547650934 /nfs/dbraw/zinc/65/09/34/547650934.db2.gz UWZFWHZUWMWREG-IBGZPJMESA-N 1 1 369.421 2.400 20 5 FEBDMO CC[C@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@H+]1Cc1ccccc1 ZINC000183756657 547713876 /nfs/dbraw/zinc/71/38/76/547713876.db2.gz DWAWMMGRTBIFFI-SFHVURJKSA-N 1 1 370.453 2.353 20 5 FEBDMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000184306418 547804481 /nfs/dbraw/zinc/80/44/81/547804481.db2.gz CEPOQBQHCSBRFT-LBPRGKRZSA-N 1 1 354.838 2.004 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000185779134 548034624 /nfs/dbraw/zinc/03/46/24/548034624.db2.gz JFTOMLBCHVBBFY-CQSZACIVSA-N 1 1 363.439 2.394 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c([N+](=O)[O-])c1 ZINC000186670946 548170203 /nfs/dbraw/zinc/17/02/03/548170203.db2.gz VJAOXHNRWWEVPK-IBGZPJMESA-N 1 1 353.378 2.325 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000193948037 548412149 /nfs/dbraw/zinc/41/21/49/548412149.db2.gz HMMDPCAURPWWCH-ZDUSSCGKSA-N 1 1 350.419 2.277 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193972348 548415809 /nfs/dbraw/zinc/41/58/09/548415809.db2.gz SQJBAEDMQFKUNF-OKILXGFUSA-N 1 1 350.419 2.476 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000193972348 548415819 /nfs/dbraw/zinc/41/58/19/548415819.db2.gz SQJBAEDMQFKUNF-OKILXGFUSA-N 1 1 350.419 2.476 20 5 FEBDMO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194752045 548527780 /nfs/dbraw/zinc/52/77/80/548527780.db2.gz XZOHKPJWNWKESY-HNNXBMFYSA-N 1 1 354.410 2.429 20 5 FEBDMO COC(=O)c1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c([N+](=O)[O-])c1 ZINC000486876077 561358752 /nfs/dbraw/zinc/35/87/52/561358752.db2.gz BLKBPLFXSIHDLR-MFKMUULPSA-N 1 1 364.402 2.294 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCSCC1 ZINC000487656329 561373394 /nfs/dbraw/zinc/37/33/94/561373394.db2.gz MBICMPKNXGBCCZ-UHFFFAOYSA-N 1 1 355.485 2.485 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000245525104 548939895 /nfs/dbraw/zinc/93/98/95/548939895.db2.gz OCXZLMFHEOWCFV-XQQFMLRXSA-N 1 1 363.414 2.420 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)N2CC[N@@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095701 561383412 /nfs/dbraw/zinc/38/34/12/561383412.db2.gz RSQVTSVLPJXBIN-DYVFJYSZSA-N 1 1 364.446 2.202 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000246114263 549055109 /nfs/dbraw/zinc/05/51/09/549055109.db2.gz INVPGAXPUYAYOQ-GJZGRUSLSA-N 1 1 367.471 2.459 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000246130448 549058807 /nfs/dbraw/zinc/05/88/07/549058807.db2.gz JPPYPIXQADAPGZ-CMPLNLGQSA-N 1 1 361.851 2.209 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@H](CO)[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000488758539 561396262 /nfs/dbraw/zinc/39/62/62/561396262.db2.gz JLGFESKDUYYNCY-WDEREUQCSA-N 1 1 360.357 2.450 20 5 FEBDMO O=[N+]([O-])c1cccc(C[N@H+](C[C@H](O)COC[C@H]2CCCO2)C2CC2)c1 ZINC000246741648 549201656 /nfs/dbraw/zinc/20/16/56/549201656.db2.gz PDWUADNYYCOCRT-ZWKOTPCHSA-N 1 1 350.415 2.116 20 5 FEBDMO CCC[N@@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCc2ccccc2C1 ZINC000246821180 549220801 /nfs/dbraw/zinc/22/08/01/549220801.db2.gz XFPVNKURQBJLEX-PKOBYXMFSA-N 1 1 358.442 2.422 20 5 FEBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000247016851 549265630 /nfs/dbraw/zinc/26/56/30/549265630.db2.gz QFVROIGVUOQNTJ-JKSUJKDBSA-N 1 1 363.462 2.294 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(S(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000247210805 549300005 /nfs/dbraw/zinc/30/00/05/549300005.db2.gz WYANPQNHHCETDT-WCQYABFASA-N 1 1 373.862 2.353 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000247312904 549314964 /nfs/dbraw/zinc/31/49/64/549314964.db2.gz FVTOGSXVWDDAIH-GDBMZVCRSA-N 1 1 367.471 2.316 20 5 FEBDMO C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000247687143 549371635 /nfs/dbraw/zinc/37/16/35/549371635.db2.gz SGAHHYFCFUHKHK-KYJSFNMBSA-N 1 1 360.414 2.114 20 5 FEBDMO CN(CC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000248440290 549437271 /nfs/dbraw/zinc/43/72/71/549437271.db2.gz CZBCYYMXTSJHJL-QGZVFWFLSA-N 1 1 359.426 2.403 20 5 FEBDMO CC[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC[N@H+]1C[C@H](C)O ZINC000248564744 549458682 /nfs/dbraw/zinc/45/86/82/549458682.db2.gz IFXKUSFJFXEFID-DZGCQCFKSA-N 1 1 350.419 2.212 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCO[C@@H]1C ZINC000489442789 561411527 /nfs/dbraw/zinc/41/15/27/561411527.db2.gz WOTWPFQGDSRCBA-RHSMWYFYSA-N 1 1 365.430 2.358 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CCO[C@H]1C ZINC000489442794 561411530 /nfs/dbraw/zinc/41/15/30/561411530.db2.gz WOTWPFQGDSRCBA-YOEHRIQHSA-N 1 1 365.430 2.358 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249687219 549615186 /nfs/dbraw/zinc/61/51/86/549615186.db2.gz KHVPQOLCVJYTIY-PBHICJAKSA-N 1 1 364.446 2.312 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])c1 ZINC000489927326 561422527 /nfs/dbraw/zinc/42/25/27/561422527.db2.gz WKCIRFBDTMYZDQ-ZDUSSCGKSA-N 1 1 366.381 2.183 20 5 FEBDMO CCN(C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1)S(C)(=O)=O ZINC000254972674 549702682 /nfs/dbraw/zinc/70/26/82/549702682.db2.gz VWVSUAPJGNDPNN-VURMDHGXSA-N 1 1 367.471 2.354 20 5 FEBDMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000491091870 561442832 /nfs/dbraw/zinc/44/28/32/561442832.db2.gz QOUZZIYCVSSGAV-NSHDSACASA-N 1 1 359.373 2.383 20 5 FEBDMO CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268616033 550094310 /nfs/dbraw/zinc/09/43/10/550094310.db2.gz ZLOJRQOIIPBLHI-GOSISDBHSA-N 1 1 368.437 2.400 20 5 FEBDMO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](CO)c1ccccc1 ZINC000269634181 550212214 /nfs/dbraw/zinc/21/22/14/550212214.db2.gz WPHSUBNVPWGOPJ-SFHVURJKSA-N 1 1 355.394 2.149 20 5 FEBDMO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](CO)c1ccccc1 ZINC000269634181 550212215 /nfs/dbraw/zinc/21/22/15/550212215.db2.gz WPHSUBNVPWGOPJ-SFHVURJKSA-N 1 1 355.394 2.149 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269653612 550214094 /nfs/dbraw/zinc/21/40/94/550214094.db2.gz MXETYGYEGOOVRF-KGLIPLIRSA-N 1 1 367.413 2.304 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000269653612 550214097 /nfs/dbraw/zinc/21/40/97/550214097.db2.gz MXETYGYEGOOVRF-KGLIPLIRSA-N 1 1 367.413 2.304 20 5 FEBDMO CC(C)(C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000270730824 550301348 /nfs/dbraw/zinc/30/13/48/550301348.db2.gz YKKGWLMJYDSPOO-QGZVFWFLSA-N 1 1 363.458 2.226 20 5 FEBDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2)C1 ZINC000270794340 550307529 /nfs/dbraw/zinc/30/75/29/550307529.db2.gz KQGNHRYKUOCXJK-LBPRGKRZSA-N 1 1 359.386 2.291 20 5 FEBDMO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000270812982 550309873 /nfs/dbraw/zinc/30/98/73/550309873.db2.gz WUWXAELTSSHLSS-WCQYABFASA-N 1 1 350.329 2.103 20 5 FEBDMO C[N@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])c(N)n2)[C@H]1c1ccc(F)c(F)c1 ZINC000270812982 550309874 /nfs/dbraw/zinc/30/98/74/550309874.db2.gz WUWXAELTSSHLSS-WCQYABFASA-N 1 1 350.329 2.103 20 5 FEBDMO C[C@H]1[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000494039913 561461226 /nfs/dbraw/zinc/46/12/26/561461226.db2.gz VZWHJVJZYUAASD-SWLSCSKDSA-N 1 1 356.382 2.088 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271336252 550366494 /nfs/dbraw/zinc/36/64/94/550366494.db2.gz FJGSWUGQOMRLMN-OAHLLOKOSA-N 1 1 367.409 2.271 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272401343 550443887 /nfs/dbraw/zinc/44/38/87/550443887.db2.gz VHFUJDJCVHJAAM-LLVKDONJSA-N 1 1 363.443 2.403 20 5 FEBDMO COc1cc(CNC[C@H]2CCC[N@@H+]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272405600 550444796 /nfs/dbraw/zinc/44/47/96/550444796.db2.gz KIAQMUCFCXFZCP-GFCCVEGCSA-N 1 1 359.373 2.431 20 5 FEBDMO COc1cc(CNC[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272405600 550444798 /nfs/dbraw/zinc/44/47/98/550444798.db2.gz KIAQMUCFCXFZCP-GFCCVEGCSA-N 1 1 359.373 2.431 20 5 FEBDMO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000272509803 550454469 /nfs/dbraw/zinc/45/44/69/550454469.db2.gz JWZZWXONMAGKDV-SUMWQHHRSA-N 1 1 365.430 2.167 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc(O)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000272509803 550454470 /nfs/dbraw/zinc/45/44/70/550454470.db2.gz JWZZWXONMAGKDV-SUMWQHHRSA-N 1 1 365.430 2.167 20 5 FEBDMO Cn1ccnc1[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000272531818 550456000 /nfs/dbraw/zinc/45/60/00/550456000.db2.gz NCTXXXLLHWKDPE-SJORKVTESA-N 1 1 360.414 2.203 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1OC ZINC000272627939 550461500 /nfs/dbraw/zinc/46/15/00/550461500.db2.gz BCGSYFDWAKAYBZ-GFCCVEGCSA-N 1 1 363.414 2.382 20 5 FEBDMO C[C@@H](NC(=O)N1CCC([N@@H+](C)CCCO)CC1)c1ccccc1[N+](=O)[O-] ZINC000273378652 550496335 /nfs/dbraw/zinc/49/63/35/550496335.db2.gz ANNYBBCRCALNQY-CQSZACIVSA-N 1 1 364.446 2.144 20 5 FEBDMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000274511323 550541318 /nfs/dbraw/zinc/54/13/18/550541318.db2.gz XJVDWTGKRXUZBY-OAHLLOKOSA-N 1 1 362.474 2.015 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000276642605 550580899 /nfs/dbraw/zinc/58/08/99/550580899.db2.gz VDVOGCSQHGFDDT-UHFFFAOYSA-N 1 1 368.865 2.266 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([NH+](C)C)CC1 ZINC000277234361 550645993 /nfs/dbraw/zinc/64/59/93/550645993.db2.gz OZODQCVFINLVKD-AWEZNQCLSA-N 1 1 364.446 2.348 20 5 FEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277631077 550694266 /nfs/dbraw/zinc/69/42/66/550694266.db2.gz DGVAGWVQTGYUQA-LBPRGKRZSA-N 1 1 360.418 2.002 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000277654369 550697072 /nfs/dbraw/zinc/69/70/72/550697072.db2.gz VMYQPFHTOYNBOR-UHFFFAOYSA-N 1 1 365.430 2.034 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000278142868 550754186 /nfs/dbraw/zinc/75/41/86/550754186.db2.gz AGZQNWZPWNHCHW-VXGBXAGGSA-N 1 1 360.418 2.095 20 5 FEBDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000279265039 550871530 /nfs/dbraw/zinc/87/15/30/550871530.db2.gz YAFUWCPUQDEHLV-ZDUSSCGKSA-N 1 1 372.425 2.401 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000279542571 550901535 /nfs/dbraw/zinc/90/15/35/550901535.db2.gz WZDZFTXQHCFRGD-UHFFFAOYSA-N 1 1 350.394 2.407 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000280289794 550977133 /nfs/dbraw/zinc/97/71/33/550977133.db2.gz FCRZQGXBHRCABH-GOSISDBHSA-N 1 1 366.414 2.252 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000280289794 550977134 /nfs/dbraw/zinc/97/71/34/550977134.db2.gz FCRZQGXBHRCABH-GOSISDBHSA-N 1 1 366.414 2.252 20 5 FEBDMO CCOC(=O)c1cc(NCCN2CC[N@@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000281564773 551114167 /nfs/dbraw/zinc/11/41/67/551114167.db2.gz DJFZOIQAXCJNTE-UHFFFAOYSA-N 1 1 364.446 2.209 20 5 FEBDMO CN(CC(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000497390049 561500046 /nfs/dbraw/zinc/50/00/46/561500046.db2.gz YNRPBGKBNVZBDU-IAGOWNOFSA-N 1 1 368.437 2.245 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@H+]2CCOc2cccc([N+](=O)[O-])c2)O1 ZINC000282465684 551233163 /nfs/dbraw/zinc/23/31/63/551233163.db2.gz NIZSYUVDOHATOL-IEAZIUSSSA-N 1 1 364.398 2.157 20 5 FEBDMO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283177908 551324229 /nfs/dbraw/zinc/32/42/29/551324229.db2.gz ZOSHDXXJIPMRGA-UHFFFAOYSA-N 1 1 373.457 2.148 20 5 FEBDMO CN1CCO[C@@H]2CC[N@@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000283950541 551455860 /nfs/dbraw/zinc/45/58/60/551455860.db2.gz AOKXOEKFDOIOCC-DLBZAZTESA-N 1 1 372.425 2.197 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C[C@H]1C ZINC000498555134 561528134 /nfs/dbraw/zinc/52/81/34/561528134.db2.gz OSKFNUBORPVNSX-KGLIPLIRSA-N 1 1 357.414 2.335 20 5 FEBDMO C[N@H+]1CC[C@@H]2OCCN(Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2C1 ZINC000284836869 551646889 /nfs/dbraw/zinc/64/68/89/551646889.db2.gz NFCODTQVTLHHQM-SJORKVTESA-N 1 1 358.398 2.155 20 5 FEBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c1[N+](=O)[O-] ZINC000284840000 551647475 /nfs/dbraw/zinc/64/74/75/551647475.db2.gz KZJYFXYNOSOGMK-SWLSCSKDSA-N 1 1 361.450 2.119 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000285473550 551762023 /nfs/dbraw/zinc/76/20/23/551762023.db2.gz OAPGDXBDGZJVCF-FCGDIQPGSA-N 1 1 356.426 2.420 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000285529754 551770496 /nfs/dbraw/zinc/77/04/96/551770496.db2.gz HGRXHRDGKQQZNY-KBPBESRZSA-N 1 1 355.460 2.259 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285789315 551811033 /nfs/dbraw/zinc/81/10/33/551811033.db2.gz ZHUMLMRQERDYDI-YIONKMFJSA-N 1 1 367.471 2.457 20 5 FEBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286133164 551852598 /nfs/dbraw/zinc/85/25/98/551852598.db2.gz WMCQFUDVQLOXKS-RYUDHWBXSA-N 1 1 371.384 2.236 20 5 FEBDMO COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286133164 551852599 /nfs/dbraw/zinc/85/25/99/551852599.db2.gz WMCQFUDVQLOXKS-RYUDHWBXSA-N 1 1 371.384 2.236 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286312644 551872868 /nfs/dbraw/zinc/87/28/68/551872868.db2.gz KIFQYAZUSKNWLP-GOSISDBHSA-N 1 1 367.453 2.386 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288380329 552143757 /nfs/dbraw/zinc/14/37/57/552143757.db2.gz VICXAFKKJMASNM-RHSMWYFYSA-N 1 1 371.441 2.269 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290525664 552492668 /nfs/dbraw/zinc/49/26/68/552492668.db2.gz GSNOWMIZXNCYNQ-ZIAGYGMSSA-N 1 1 361.446 2.180 20 5 FEBDMO C[NH+]1CCN([C@H](c2nc(CCC(C)(C)[N+](=O)[O-])no2)c2ccccc2)CC1 ZINC000291036057 552578961 /nfs/dbraw/zinc/57/89/61/552578961.db2.gz FTITTZNRZAHFCU-KRWDZBQOSA-N 1 1 373.457 2.394 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+](C)C[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000292945869 552773769 /nfs/dbraw/zinc/77/37/69/552773769.db2.gz ABUCTTMMXDBFJH-HNNXBMFYSA-N 1 1 373.409 2.077 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)C[C@@H](O)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000292945869 552773771 /nfs/dbraw/zinc/77/37/71/552773771.db2.gz ABUCTTMMXDBFJH-HNNXBMFYSA-N 1 1 373.409 2.077 20 5 FEBDMO C[C@@H](CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000293179874 552796475 /nfs/dbraw/zinc/79/64/75/552796475.db2.gz YHGQIUHRXUPBFF-AWEZNQCLSA-N 1 1 364.446 2.097 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293496560 552829542 /nfs/dbraw/zinc/82/95/42/552829542.db2.gz ZKLWPHSNMJHHTR-INIZCTEOSA-N 1 1 373.409 2.077 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293496560 552829544 /nfs/dbraw/zinc/82/95/44/552829544.db2.gz ZKLWPHSNMJHHTR-INIZCTEOSA-N 1 1 373.409 2.077 20 5 FEBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc4cccc([N+](=O)[O-])c4[nH]3)[C@H]2C1 ZINC000294024225 552876315 /nfs/dbraw/zinc/87/63/15/552876315.db2.gz ZNSRXHITDHAKMX-JKSUJKDBSA-N 1 1 358.398 2.011 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000294059372 552878663 /nfs/dbraw/zinc/87/86/63/552878663.db2.gz UVSSAZHVEIHHPB-BETUJISGSA-N 1 1 367.471 2.498 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000294059372 552878665 /nfs/dbraw/zinc/87/86/65/552878665.db2.gz UVSSAZHVEIHHPB-BETUJISGSA-N 1 1 367.471 2.498 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000295294415 552982764 /nfs/dbraw/zinc/98/27/64/552982764.db2.gz JQSWDLNYNHVAEH-AGUYFDCRSA-N 1 1 353.444 2.115 20 5 FEBDMO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC[N@H+](C2CC2)C1 ZINC000295367260 552994854 /nfs/dbraw/zinc/99/48/54/552994854.db2.gz ONOPFUBMLMNXRQ-LBPRGKRZSA-N 1 1 364.421 2.356 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000295420732 553003984 /nfs/dbraw/zinc/00/39/84/553003984.db2.gz UZSZYIOKRHHLDM-YOGCLGLASA-N 1 1 373.862 2.460 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000295482911 553014407 /nfs/dbraw/zinc/01/44/07/553014407.db2.gz ODTHMIJJWIKPJG-ZIAGYGMSSA-N 1 1 367.471 2.038 20 5 FEBDMO CCOc1ccc(NC(=O)C[NH2+][C@H](C)c2cnn(CC)c2)c([N+](=O)[O-])c1 ZINC000296072204 553100145 /nfs/dbraw/zinc/10/01/45/553100145.db2.gz OROKDAZFYPZYSP-GFCCVEGCSA-N 1 1 361.402 2.499 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1F ZINC000296921595 553230120 /nfs/dbraw/zinc/23/01/20/553230120.db2.gz MKOUCDVXZXPSKX-LBPRGKRZSA-N 1 1 368.409 2.217 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298056409 553378288 /nfs/dbraw/zinc/37/82/88/553378288.db2.gz IIPLAEDLCCRMCS-JTQLQIEISA-N 1 1 356.810 2.033 20 5 FEBDMO C[C@@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+](C2CC2)C1 ZINC000298218580 553399509 /nfs/dbraw/zinc/39/95/09/553399509.db2.gz HBQLFCQKDYVXSQ-LBPRGKRZSA-N 1 1 372.429 2.097 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[C@H](O)CC2)c([N+](=O)[O-])c1 ZINC000298656952 553455390 /nfs/dbraw/zinc/45/53/90/553455390.db2.gz XUXRVERAPLWSTK-JOCQHMNTSA-N 1 1 351.403 2.167 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000299484323 553569937 /nfs/dbraw/zinc/56/99/37/553569937.db2.gz ZQVJYGFYQZVTOR-CYBMUJFWSA-N 1 1 350.419 2.078 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2[C@H](C)CCC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000299505262 553572954 /nfs/dbraw/zinc/57/29/54/553572954.db2.gz BVERXEXAOPFLQS-OLZOCXBDSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000299540211 553578174 /nfs/dbraw/zinc/57/81/74/553578174.db2.gz WEJGSNGVCVJBPA-LBPRGKRZSA-N 1 1 361.402 2.244 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)CCC[C@H]1CO ZINC000299729709 553608736 /nfs/dbraw/zinc/60/87/36/553608736.db2.gz WLSUFUIENZJADC-OCCSQVGLSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000301351987 553644413 /nfs/dbraw/zinc/64/44/13/553644413.db2.gz MXHYDJALZGGYCR-CQSZACIVSA-N 1 1 366.437 2.349 20 5 FEBDMO COCC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000301567867 553661992 /nfs/dbraw/zinc/66/19/92/553661992.db2.gz WANKNSPKZVXWSU-SNVBAGLBSA-N 1 1 359.224 2.275 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Br ZINC000301567867 553661995 /nfs/dbraw/zinc/66/19/95/553661995.db2.gz WANKNSPKZVXWSU-SNVBAGLBSA-N 1 1 359.224 2.275 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301690821 553672424 /nfs/dbraw/zinc/67/24/24/553672424.db2.gz NOLXVKSOXMQJCR-NSHDSACASA-N 1 1 359.224 2.275 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000301803555 553680895 /nfs/dbraw/zinc/68/08/95/553680895.db2.gz UXTRTFPZFQHFHA-ZDUSSCGKSA-N 1 1 354.401 2.479 20 5 FEBDMO CCc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302452645 553717251 /nfs/dbraw/zinc/71/72/51/553717251.db2.gz SNANYPRMKBOIGT-CQSZACIVSA-N 1 1 371.441 2.117 20 5 FEBDMO Cc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000302506778 553719101 /nfs/dbraw/zinc/71/91/01/553719101.db2.gz DZLYZLBKELCKTC-UHFFFAOYSA-N 1 1 371.441 2.253 20 5 FEBDMO COC(=O)c1cnc(NCc2ccc(-n3cc[nH+]c3C)nc2)c([N+](=O)[O-])c1 ZINC000302776491 553732080 /nfs/dbraw/zinc/73/20/80/553732080.db2.gz OWOAKEZOACRFTG-UHFFFAOYSA-N 1 1 368.353 2.278 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000330620027 554146486 /nfs/dbraw/zinc/14/64/86/554146486.db2.gz ZWRILXQPXCONSK-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000330620027 554146488 /nfs/dbraw/zinc/14/64/88/554146488.db2.gz ZWRILXQPXCONSK-RYUDHWBXSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000331099935 554212774 /nfs/dbraw/zinc/21/27/74/554212774.db2.gz OAPZKCZASILAAD-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000511090142 561856505 /nfs/dbraw/zinc/85/65/05/561856505.db2.gz IBTRIDWHWAMRBY-KRWDZBQOSA-N 1 1 369.421 2.189 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000511090142 561856506 /nfs/dbraw/zinc/85/65/06/561856506.db2.gz IBTRIDWHWAMRBY-KRWDZBQOSA-N 1 1 369.421 2.189 20 5 FEBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000511134542 561858508 /nfs/dbraw/zinc/85/85/08/561858508.db2.gz ATMYNEWDQRCCFV-UHFFFAOYSA-N 1 1 371.393 2.479 20 5 FEBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000511134542 561858510 /nfs/dbraw/zinc/85/85/10/561858510.db2.gz ATMYNEWDQRCCFV-UHFFFAOYSA-N 1 1 371.393 2.479 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1[N+](=O)[O-] ZINC000511425427 561868861 /nfs/dbraw/zinc/86/88/61/561868861.db2.gz LYBOXVXKLCKFOQ-DZGCQCFKSA-N 1 1 357.414 2.202 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000360828546 554891559 /nfs/dbraw/zinc/89/15/59/554891559.db2.gz JBNVMTCAPXRCIC-UHFFFAOYSA-N 1 1 372.425 2.327 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000361012266 554900098 /nfs/dbraw/zinc/90/00/98/554900098.db2.gz MINIMPVRXVIFAS-NCNPBXTDSA-N 1 1 363.414 2.025 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000362022770 554944936 /nfs/dbraw/zinc/94/49/36/554944936.db2.gz MSFKEDDPYMYREX-BXUZGUMPSA-N 1 1 373.862 2.271 20 5 FEBDMO CC(C)NC(=O)C[N@@H+]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000362961836 555003047 /nfs/dbraw/zinc/00/30/47/555003047.db2.gz LLFDOSKGGVLQOK-UHFFFAOYSA-N 1 1 371.441 2.180 20 5 FEBDMO CC(C)NC(=O)C[N@H+]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000362961836 555003048 /nfs/dbraw/zinc/00/30/48/555003048.db2.gz LLFDOSKGGVLQOK-UHFFFAOYSA-N 1 1 371.441 2.180 20 5 FEBDMO COc1ccc(OCC[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000363042830 555017087 /nfs/dbraw/zinc/01/70/87/555017087.db2.gz QCKSTRGQMRVYMV-AWEZNQCLSA-N 1 1 360.414 2.280 20 5 FEBDMO CCc1n[nH]c(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280870 555070296 /nfs/dbraw/zinc/07/02/96/555070296.db2.gz SKLGODHVPJTRLL-CQSZACIVSA-N 1 1 357.414 2.227 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280870 555070297 /nfs/dbraw/zinc/07/02/97/555070297.db2.gz SKLGODHVPJTRLL-CQSZACIVSA-N 1 1 357.414 2.227 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000363280870 555070298 /nfs/dbraw/zinc/07/02/98/555070298.db2.gz SKLGODHVPJTRLL-CQSZACIVSA-N 1 1 357.414 2.227 20 5 FEBDMO COc1cc(CN2CCC[N@H+](C3CCOCC3)CC2)c([N+](=O)[O-])cc1F ZINC000364078629 555245939 /nfs/dbraw/zinc/24/59/39/555245939.db2.gz HXJZXKIIZYFYFE-UHFFFAOYSA-N 1 1 367.421 2.429 20 5 FEBDMO CN(C)CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000364740166 555390673 /nfs/dbraw/zinc/39/06/73/555390673.db2.gz BSEUNUXQZSVJPS-UHFFFAOYSA-N 1 1 358.389 2.270 20 5 FEBDMO CN(C)CC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000364740166 555390674 /nfs/dbraw/zinc/39/06/74/555390674.db2.gz BSEUNUXQZSVJPS-UHFFFAOYSA-N 1 1 358.389 2.270 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000512798644 561915926 /nfs/dbraw/zinc/91/59/26/561915926.db2.gz XYQDCSUNFPUPPF-LLVKDONJSA-N 1 1 373.356 2.493 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000365187257 555505809 /nfs/dbraw/zinc/50/58/09/555505809.db2.gz RGOINJBKBULRAH-VXGBXAGGSA-N 1 1 354.794 2.233 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2[C@H](C1)C[N@H+]1CCCC[C@@H]21 ZINC000365549703 555605857 /nfs/dbraw/zinc/60/58/57/555605857.db2.gz HROWPYNWBLUJER-BPUTZDHNSA-N 1 1 365.455 2.008 20 5 FEBDMO Cc1c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365555974 555607983 /nfs/dbraw/zinc/60/79/83/555607983.db2.gz WWXUNODSELMVBR-RCBQFDQVSA-N 1 1 374.397 2.368 20 5 FEBDMO C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000513311932 561933389 /nfs/dbraw/zinc/93/33/89/561933389.db2.gz KXKSAZJAPNTMBV-UHFFFAOYSA-N 1 1 369.381 2.473 20 5 FEBDMO C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000513311932 561933390 /nfs/dbraw/zinc/93/33/90/561933390.db2.gz KXKSAZJAPNTMBV-UHFFFAOYSA-N 1 1 369.381 2.473 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000365652149 555632800 /nfs/dbraw/zinc/63/28/00/555632800.db2.gz YWNKDHBUKSAIGG-MRXNPFEDSA-N 1 1 360.458 2.003 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513419578 561937646 /nfs/dbraw/zinc/93/76/46/561937646.db2.gz IPCKIWKSKLZIIU-ZFWWWQNUSA-N 1 1 357.414 2.443 20 5 FEBDMO Cc1cc(OCC(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000366584793 555883139 /nfs/dbraw/zinc/88/31/39/555883139.db2.gz SYUGYPJNVBWWJN-LESCRADOSA-N 1 1 359.426 2.225 20 5 FEBDMO C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(F)cc1 ZINC000366809894 555939825 /nfs/dbraw/zinc/93/98/25/555939825.db2.gz VNLNFLNRUIVQQY-YOEHRIQHSA-N 1 1 358.373 2.491 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)[C@@H]1c1ccc(F)cc1 ZINC000366809894 555939827 /nfs/dbraw/zinc/93/98/27/555939827.db2.gz VNLNFLNRUIVQQY-YOEHRIQHSA-N 1 1 358.373 2.491 20 5 FEBDMO CC(C)Oc1nc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000515074207 561995393 /nfs/dbraw/zinc/99/53/93/561995393.db2.gz VILNXPWTCXHYTI-CQSZACIVSA-N 1 1 364.446 2.467 20 5 FEBDMO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000368101603 556219237 /nfs/dbraw/zinc/21/92/37/556219237.db2.gz ZVHVAOVONIXBRU-NVBFEUDRSA-N 1 1 351.353 2.429 20 5 FEBDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)nn1 ZINC000368346978 556283436 /nfs/dbraw/zinc/28/34/36/556283436.db2.gz IMICEYAICIJACV-OAHLLOKOSA-N 1 1 359.386 2.118 20 5 FEBDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c([N+](=O)[O-])c(=O)[nH]1 ZINC000368368998 556289809 /nfs/dbraw/zinc/28/98/09/556289809.db2.gz GJPYICXUZZMAAF-CZUORRHYSA-N 1 1 370.409 2.397 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCC3(CCOCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000368814393 556420905 /nfs/dbraw/zinc/42/09/05/556420905.db2.gz RQTWBSRBHBHJIX-CYBMUJFWSA-N 1 1 363.414 2.433 20 5 FEBDMO Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000368840655 556426913 /nfs/dbraw/zinc/42/69/13/556426913.db2.gz AHMTUKHFMMWGHV-OAHLLOKOSA-N 1 1 374.397 2.090 20 5 FEBDMO Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000368840655 556426916 /nfs/dbraw/zinc/42/69/16/556426916.db2.gz AHMTUKHFMMWGHV-OAHLLOKOSA-N 1 1 374.397 2.090 20 5 FEBDMO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368958970 556459719 /nfs/dbraw/zinc/45/97/19/556459719.db2.gz PUCMFVCPHSBJTH-OWQGQXMQSA-N 1 1 369.425 2.081 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000515736657 562020780 /nfs/dbraw/zinc/02/07/80/562020780.db2.gz OQDQQRGGBCZHIS-KGLIPLIRSA-N 1 1 355.460 2.444 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000369069121 556496424 /nfs/dbraw/zinc/49/64/24/556496424.db2.gz YNUGSHBSLORNTA-OAHLLOKOSA-N 1 1 374.441 2.222 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000369374243 556584007 /nfs/dbraw/zinc/58/40/07/556584007.db2.gz IIBCEHMCFMIEHX-KDOFPFPSSA-N 1 1 363.414 2.112 20 5 FEBDMO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]2N1 ZINC000370714215 556947076 /nfs/dbraw/zinc/94/70/76/556947076.db2.gz ADRXRVYZIZFBIS-GDBMZVCRSA-N 1 1 373.434 2.413 20 5 FEBDMO Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccccc3[N+](=O)[O-])CCC[N@H+]2C)cn1 ZINC000370904076 557009588 /nfs/dbraw/zinc/00/95/88/557009588.db2.gz HITNXGTWHUTWOT-DYVFJYSZSA-N 1 1 357.414 2.141 20 5 FEBDMO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000370915701 557013961 /nfs/dbraw/zinc/01/39/61/557013961.db2.gz DCFXDMZCGSLTNN-KSSFIOAISA-N 1 1 371.441 2.450 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@@H]2[C@@H]1c1ccccc1 ZINC000371052483 557059112 /nfs/dbraw/zinc/05/91/12/557059112.db2.gz ILFAGLKDPXQEMM-COXVUDFISA-N 1 1 368.393 2.070 20 5 FEBDMO COc1ccc(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000518378551 562110055 /nfs/dbraw/zinc/11/00/55/562110055.db2.gz YQEAEWOUPJVDNT-CYBMUJFWSA-N 1 1 350.419 2.135 20 5 FEBDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000371899905 557324061 /nfs/dbraw/zinc/32/40/61/557324061.db2.gz SJLKNCIPODGAMV-UHFFFAOYSA-N 1 1 369.425 2.229 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000371911711 557326701 /nfs/dbraw/zinc/32/67/01/557326701.db2.gz OZWRCJWFWWCMEB-HOTGVXAUSA-N 1 1 362.430 2.356 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372157253 557394869 /nfs/dbraw/zinc/39/48/69/557394869.db2.gz RKIIKPKCQNPLNN-BFHYXJOUSA-N 1 1 363.414 2.289 20 5 FEBDMO Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000372286407 557430397 /nfs/dbraw/zinc/43/03/97/557430397.db2.gz ANZXENKUPKBPQE-AEFFLSMTSA-N 1 1 374.441 2.485 20 5 FEBDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCn1cc([N+](=O)[O-])cn1 ZINC000372543533 557498665 /nfs/dbraw/zinc/49/86/65/557498665.db2.gz FAAGCDCHHFTNLC-BTTYYORXSA-N 1 1 365.434 2.311 20 5 FEBDMO CN1CCC2(CC[NH+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)CC2)C1=O ZINC000373158429 557640828 /nfs/dbraw/zinc/64/08/28/557640828.db2.gz KXLRKMYBTCWHLL-UHFFFAOYSA-N 1 1 371.397 2.089 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000373253213 557658965 /nfs/dbraw/zinc/65/89/65/557658965.db2.gz SLXIEYFWLOFKPP-YNEHKIRRSA-N 1 1 365.434 2.063 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000373253213 557658967 /nfs/dbraw/zinc/65/89/67/557658967.db2.gz SLXIEYFWLOFKPP-YNEHKIRRSA-N 1 1 365.434 2.063 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000373590904 557724731 /nfs/dbraw/zinc/72/47/31/557724731.db2.gz DWRINOVMCVXYSC-UHFFFAOYSA-N 1 1 362.361 2.481 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000373781416 557757833 /nfs/dbraw/zinc/75/78/33/557757833.db2.gz HTICYCYPIVUIGS-GOSISDBHSA-N 1 1 362.474 2.205 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000373781417 557757935 /nfs/dbraw/zinc/75/79/35/557757935.db2.gz HTICYCYPIVUIGS-SFHVURJKSA-N 1 1 362.474 2.205 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)CC2)CCO1 ZINC000373832996 557769123 /nfs/dbraw/zinc/76/91/23/557769123.db2.gz XHBIWOYNBOPVHR-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO C[C@H]1C[N@H+](C2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)CC2)CCO1 ZINC000373832998 557769310 /nfs/dbraw/zinc/76/93/10/557769310.db2.gz XHBIWOYNBOPVHR-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000374363744 557872271 /nfs/dbraw/zinc/87/22/71/557872271.db2.gz DBBHANMRLMJXKM-SECBINFHSA-N 1 1 352.192 2.480 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000374856998 557941630 /nfs/dbraw/zinc/94/16/30/557941630.db2.gz RCESZYQWOTWNCP-WCQYABFASA-N 1 1 373.862 2.271 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)c1 ZINC000374873373 557944585 /nfs/dbraw/zinc/94/45/85/557944585.db2.gz IEWXUJFUHFTMLM-UHFFFAOYSA-N 1 1 370.335 2.027 20 5 FEBDMO CC1(C)CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000521273592 562173508 /nfs/dbraw/zinc/17/35/08/562173508.db2.gz XDLMUKFQQKMHOQ-UHFFFAOYSA-N 1 1 368.242 2.274 20 5 FEBDMO COc1ccc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)cc1[N+](=O)[O-] ZINC000375260332 558000102 /nfs/dbraw/zinc/00/01/02/558000102.db2.gz MCNWUXMBNMKYSB-UHFFFAOYSA-N 1 1 357.414 2.494 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375616551 558057763 /nfs/dbraw/zinc/05/77/63/558057763.db2.gz CFRXNKVMGCLCCW-SFHVURJKSA-N 1 1 363.414 2.113 20 5 FEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCN(c2cnccn2)CC1 ZINC000375928012 558101018 /nfs/dbraw/zinc/10/10/18/558101018.db2.gz PHGDTAGDJSBIDR-KRWDZBQOSA-N 1 1 357.414 2.019 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000377168177 558280303 /nfs/dbraw/zinc/28/03/03/558280303.db2.gz JPKCRNMXXGKTRW-JQFCIGGWSA-N 1 1 374.441 2.350 20 5 FEBDMO COC(=O)/C=C/c1ccc(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000377512637 558354911 /nfs/dbraw/zinc/35/49/11/558354911.db2.gz OKZCEMHJMZAPDH-ZWXLGZMVSA-N 1 1 361.398 2.056 20 5 FEBDMO CCc1cc(NCC[N@@H+]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000522275569 562196015 /nfs/dbraw/zinc/19/60/15/562196015.db2.gz OZFDYXHFTHSBLU-CQSZACIVSA-N 1 1 371.441 2.169 20 5 FEBDMO CCc1cc(NCC[N@H+]2CCO[C@H](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000522275569 562196016 /nfs/dbraw/zinc/19/60/16/562196016.db2.gz OZFDYXHFTHSBLU-CQSZACIVSA-N 1 1 371.441 2.169 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000377766513 558415549 /nfs/dbraw/zinc/41/55/49/558415549.db2.gz FVGMIAKTQMRMPM-ZWKOTPCHSA-N 1 1 355.442 2.245 20 5 FEBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000377862799 558437224 /nfs/dbraw/zinc/43/72/24/558437224.db2.gz ZEDZJFPIJLSEGV-QWRGUYRKSA-N 1 1 354.794 2.233 20 5 FEBDMO COc1cc(N2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c([N+](=O)[O-])cc1F ZINC000378086383 558477327 /nfs/dbraw/zinc/47/73/27/558477327.db2.gz JLZPDDQYGCAQNT-AWEZNQCLSA-N 1 1 366.437 2.206 20 5 FEBDMO COc1ccc(CNC(=O)N2CCC[N@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000524394046 562227835 /nfs/dbraw/zinc/22/78/35/562227835.db2.gz YDULSCSIXLGKKT-UHFFFAOYSA-N 1 1 350.419 2.229 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000524720340 562233115 /nfs/dbraw/zinc/23/31/15/562233115.db2.gz LIDSKZHNRLNUON-SNVBAGLBSA-N 1 1 373.356 2.276 20 5 FEBDMO C[C@H]1CC[N@@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000524775498 562234442 /nfs/dbraw/zinc/23/44/42/562234442.db2.gz YZQLFNOZFIZERV-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1NC[C@@H](C)C[NH+]1CCOCC1 ZINC000525358041 562246686 /nfs/dbraw/zinc/24/66/86/562246686.db2.gz RMVUNWSXQOIBKO-GFCCVEGCSA-N 1 1 369.393 2.291 20 5 FEBDMO COc1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1OC ZINC000525501283 562249430 /nfs/dbraw/zinc/24/94/30/562249430.db2.gz VQIBJVAKBQNQTK-GXTWGEPZSA-N 1 1 363.414 2.311 20 5 FEBDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411559576 558917483 /nfs/dbraw/zinc/91/74/83/558917483.db2.gz IOCHNUACVRHLGQ-LBPRGKRZSA-N 1 1 350.419 2.158 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411620818 558930572 /nfs/dbraw/zinc/93/05/72/558930572.db2.gz ZBGXIGTVVPBCSY-CLLJXQQHSA-N 1 1 351.403 2.166 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H]1C ZINC000411659162 558937708 /nfs/dbraw/zinc/93/77/08/558937708.db2.gz YDQXWQVSHCUYLC-CZUORRHYSA-N 1 1 351.403 2.049 20 5 FEBDMO O=C(CC[N@H+](CCCO)Cc1ccccn1)Nc1ccc([N+](=O)[O-])cc1 ZINC000411661107 558938009 /nfs/dbraw/zinc/93/80/09/558938009.db2.gz LTMOYIIPOAXXEP-UHFFFAOYSA-N 1 1 358.398 2.203 20 5 FEBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411776840 558960575 /nfs/dbraw/zinc/96/05/75/558960575.db2.gz YFAITWJXSRKYFA-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000411907960 558986168 /nfs/dbraw/zinc/98/61/68/558986168.db2.gz CNQGTINLFIMATI-SCTDSRPQSA-N 1 1 358.394 2.142 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@](C(N)=O)(c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000411968988 558997075 /nfs/dbraw/zinc/99/70/75/558997075.db2.gz PHFNFLBIFASFOS-LJQANCHMSA-N 1 1 373.384 2.372 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](C(N)=O)[C@@H](c3ccccc3)C2)c([N+](=O)[O-])cc1F ZINC000411970430 558997431 /nfs/dbraw/zinc/99/74/31/558997431.db2.gz FPHAAEOQXRCECB-CABCVRRESA-N 1 1 373.384 2.443 20 5 FEBDMO Cc1nnc([C@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412036673 559004927 /nfs/dbraw/zinc/00/49/27/559004927.db2.gz HGJNIOQJFVIIFF-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412036673 559004928 /nfs/dbraw/zinc/00/49/28/559004928.db2.gz HGJNIOQJFVIIFF-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n1 ZINC000412036673 559004929 /nfs/dbraw/zinc/00/49/29/559004929.db2.gz HGJNIOQJFVIIFF-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@H]2CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000412036673 559004930 /nfs/dbraw/zinc/00/49/30/559004930.db2.gz HGJNIOQJFVIIFF-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@H]2CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)n[nH]1 ZINC000412036673 559004931 /nfs/dbraw/zinc/00/49/31/559004931.db2.gz HGJNIOQJFVIIFF-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412053936 559007156 /nfs/dbraw/zinc/00/71/56/559007156.db2.gz GYJWPTZSOSCLBN-GDBMZVCRSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412053936 559007157 /nfs/dbraw/zinc/00/71/57/559007157.db2.gz GYJWPTZSOSCLBN-GDBMZVCRSA-N 1 1 374.441 2.399 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1F ZINC000413709430 559126191 /nfs/dbraw/zinc/12/61/91/559126191.db2.gz GAAYMZNRZIGBCI-GFCCVEGCSA-N 1 1 353.394 2.274 20 5 FEBDMO CC(C)(C[NH+]1CCOCC1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000413966132 559143968 /nfs/dbraw/zinc/14/39/68/559143968.db2.gz KAQZJUJVAVPNSQ-UHFFFAOYSA-N 1 1 364.446 2.014 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416467699 559315290 /nfs/dbraw/zinc/31/52/90/559315290.db2.gz CQCPVGZDRHONJZ-HNNXBMFYSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c(C)cc1[N+](=O)[O-] ZINC000416467699 559315291 /nfs/dbraw/zinc/31/52/91/559315291.db2.gz CQCPVGZDRHONJZ-HNNXBMFYSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000417044791 559345567 /nfs/dbraw/zinc/34/55/67/559345567.db2.gz QOHMLZYBGVTKKX-KBPBESRZSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000417044791 559345568 /nfs/dbraw/zinc/34/55/68/559345568.db2.gz QOHMLZYBGVTKKX-KBPBESRZSA-N 1 1 350.419 2.130 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421020627 559519849 /nfs/dbraw/zinc/51/98/49/559519849.db2.gz RGOBCOFGONYAKF-CQSZACIVSA-N 1 1 365.430 2.417 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CCO)CC2)c([N+](=O)[O-])c1 ZINC000421020627 559519850 /nfs/dbraw/zinc/51/98/50/559519850.db2.gz RGOBCOFGONYAKF-CQSZACIVSA-N 1 1 365.430 2.417 20 5 FEBDMO CCN1CCC([N@@H+]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000422004309 559560020 /nfs/dbraw/zinc/56/00/20/559560020.db2.gz GACUEQWRYVQATO-UHFFFAOYSA-N 1 1 374.485 2.156 20 5 FEBDMO CCN1CCC([N@H+]2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000422004309 559560021 /nfs/dbraw/zinc/56/00/21/559560021.db2.gz GACUEQWRYVQATO-UHFFFAOYSA-N 1 1 374.485 2.156 20 5 FEBDMO COc1cc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc([N+](=O)[O-])c1C ZINC000423616300 559634003 /nfs/dbraw/zinc/63/40/03/559634003.db2.gz RRGRYENPSZBJHH-INIZCTEOSA-N 1 1 356.382 2.094 20 5 FEBDMO [NH3+]C1CCN(CCCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000423731739 559637492 /nfs/dbraw/zinc/63/74/92/559637492.db2.gz YHXZNRZWBUOWGK-UHFFFAOYSA-N 1 1 360.458 2.289 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425498538 559705844 /nfs/dbraw/zinc/70/58/44/559705844.db2.gz GQMCEFPCKXYXAK-HNNXBMFYSA-N 1 1 358.402 2.160 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000427378085 559754428 /nfs/dbraw/zinc/75/44/28/559754428.db2.gz ADKHZMQCXYWLFK-ZBFHGGJFSA-N 1 1 371.441 2.452 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000428862255 559785181 /nfs/dbraw/zinc/78/51/81/559785181.db2.gz TUVNGAQYNPMYBD-UGSOOPFHSA-N 1 1 370.409 2.089 20 5 FEBDMO COC(=O)c1cccc(NC(=O)C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000429233508 559793406 /nfs/dbraw/zinc/79/34/06/559793406.db2.gz DOKLCICNVOMRFN-UHFFFAOYSA-N 1 1 372.381 2.240 20 5 FEBDMO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429397188 559797795 /nfs/dbraw/zinc/79/77/95/559797795.db2.gz FBBHRAJXMVLYOW-RCBQFDQVSA-N 1 1 363.414 2.441 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000432180030 559853509 /nfs/dbraw/zinc/85/35/09/559853509.db2.gz TXRJDOXHQGUFOZ-ZFWWWQNUSA-N 1 1 372.425 2.320 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c2cccnc12)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000432462393 559859334 /nfs/dbraw/zinc/85/93/34/559859334.db2.gz SKDPPKOHBKUPRN-HOCLYGCPSA-N 1 1 370.409 2.265 20 5 FEBDMO COc1c(C)c[nH+]c(Cn2cnc(NCc3cccc([N+](=O)[O-])c3)n2)c1C ZINC000432743736 559863803 /nfs/dbraw/zinc/86/38/03/559863803.db2.gz YXUSZYGTGCAWSZ-UHFFFAOYSA-N 1 1 368.397 2.867 20 5 FEBDMO COCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCSC1 ZINC000433193535 559873240 /nfs/dbraw/zinc/87/32/40/559873240.db2.gz KNNOTUONQUMUCS-MRXNPFEDSA-N 1 1 367.471 2.402 20 5 FEBDMO COCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCSC1 ZINC000433193535 559873241 /nfs/dbraw/zinc/87/32/41/559873241.db2.gz KNNOTUONQUMUCS-MRXNPFEDSA-N 1 1 367.471 2.402 20 5 FEBDMO CCN1CC[NH+](CCC(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437488333 559965082 /nfs/dbraw/zinc/96/50/82/559965082.db2.gz CSBUYESHRRAVHO-UHFFFAOYSA-N 1 1 360.458 2.113 20 5 FEBDMO CCOc1ccccc1C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000441354294 560029470 /nfs/dbraw/zinc/02/94/70/560029470.db2.gz MTUDCWOONDFEAU-MRXNPFEDSA-N 1 1 373.457 2.396 20 5 FEBDMO CCOc1ccccc1C[N@H+]1CCN(CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000441354294 560029471 /nfs/dbraw/zinc/02/94/71/560029471.db2.gz MTUDCWOONDFEAU-MRXNPFEDSA-N 1 1 373.457 2.396 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000441460692 560033073 /nfs/dbraw/zinc/03/30/73/560033073.db2.gz ZCYWTWVTZJYPKF-AWEZNQCLSA-N 1 1 364.320 2.371 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000441460692 560033074 /nfs/dbraw/zinc/03/30/74/560033074.db2.gz ZCYWTWVTZJYPKF-AWEZNQCLSA-N 1 1 364.320 2.371 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443330704 560080391 /nfs/dbraw/zinc/08/03/91/560080391.db2.gz DJFZZNNGTBXJPC-XEZPLFJOSA-N 1 1 365.430 2.413 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c([N+](=O)[O-])c1 ZINC000443330704 560080392 /nfs/dbraw/zinc/08/03/92/560080392.db2.gz DJFZZNNGTBXJPC-XEZPLFJOSA-N 1 1 365.430 2.413 20 5 FEBDMO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000443969541 560097700 /nfs/dbraw/zinc/09/77/00/560097700.db2.gz PTCRLUDSZTVLPN-UHFFFAOYSA-N 1 1 359.423 2.134 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000443969541 560097701 /nfs/dbraw/zinc/09/77/01/560097701.db2.gz PTCRLUDSZTVLPN-UHFFFAOYSA-N 1 1 359.423 2.134 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc([N+](=O)[O-])c1OC ZINC000444604788 560116588 /nfs/dbraw/zinc/11/65/88/560116588.db2.gz BORHRXYUJTUUCD-UHFFFAOYSA-N 1 1 365.430 2.464 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445140353 560129656 /nfs/dbraw/zinc/12/96/56/560129656.db2.gz SHJTVCAUXUMWGL-ZIAGYGMSSA-N 1 1 370.409 2.430 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445140351 560129695 /nfs/dbraw/zinc/12/96/95/560129695.db2.gz SHJTVCAUXUMWGL-UONOGXRCSA-N 1 1 370.409 2.430 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000446048476 560138531 /nfs/dbraw/zinc/13/85/31/560138531.db2.gz UKQPTNLBQNDBFK-LBPRGKRZSA-N 1 1 355.822 2.397 20 5 FEBDMO CNS(=O)(=O)c1ccc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000447812717 560169787 /nfs/dbraw/zinc/16/97/87/560169787.db2.gz SIXWYJHMPVVZMP-HNNXBMFYSA-N 1 1 370.475 2.035 20 5 FEBDMO COc1cc(C)ccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449238081 560221209 /nfs/dbraw/zinc/22/12/09/560221209.db2.gz PYNDIVONXHWPOS-UHFFFAOYSA-N 1 1 364.423 2.475 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000449493644 560231798 /nfs/dbraw/zinc/23/17/98/560231798.db2.gz FHCWCCFEZFNBHG-SWLSCSKDSA-N 1 1 352.387 2.003 20 5 FEBDMO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000449493640 560231981 /nfs/dbraw/zinc/23/19/81/560231981.db2.gz FHCWCCFEZFNBHG-DOMZBBRYSA-N 1 1 352.387 2.003 20 5 FEBDMO COC[C@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451197158 560292614 /nfs/dbraw/zinc/29/26/14/560292614.db2.gz CGJJBQIUFYIOFS-YVEFUNNKSA-N 1 1 351.403 2.289 20 5 FEBDMO COC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000451197158 560292615 /nfs/dbraw/zinc/29/26/15/560292615.db2.gz CGJJBQIUFYIOFS-YVEFUNNKSA-N 1 1 351.403 2.289 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)CC[N@H+]1C ZINC000451381125 560303558 /nfs/dbraw/zinc/30/35/58/560303558.db2.gz YZCOOIIDJLMRRO-QGZVFWFLSA-N 1 1 357.414 2.397 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000451558280 560314503 /nfs/dbraw/zinc/31/45/03/560314503.db2.gz FTSWKENTORRKCG-DOMZBBRYSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451579764 560315879 /nfs/dbraw/zinc/31/58/79/560315879.db2.gz YVRPBNREKBQAER-SLEUVZQESA-N 1 1 351.403 2.287 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000451579764 560315880 /nfs/dbraw/zinc/31/58/80/560315880.db2.gz YVRPBNREKBQAER-SLEUVZQESA-N 1 1 351.403 2.287 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452133759 560353360 /nfs/dbraw/zinc/35/33/60/560353360.db2.gz STCCGJUOPHYLFN-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](CCCO)C2)c([N+](=O)[O-])c1 ZINC000452133759 560353361 /nfs/dbraw/zinc/35/33/61/560353361.db2.gz STCCGJUOPHYLFN-CYBMUJFWSA-N 1 1 351.403 2.026 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CCCO)C1 ZINC000452136834 560353418 /nfs/dbraw/zinc/35/34/18/560353418.db2.gz YVJHRKOBLMFXLY-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452356742 560359956 /nfs/dbraw/zinc/35/99/56/560359956.db2.gz DERAJSOHLYRKNF-AWEZNQCLSA-N 1 1 367.471 2.283 20 5 FEBDMO COc1ccc(CNC(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000454302864 560438632 /nfs/dbraw/zinc/43/86/32/560438632.db2.gz OTUUWJPJJCMCLU-UHFFFAOYSA-N 1 1 350.419 2.277 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000455395668 560480646 /nfs/dbraw/zinc/48/06/46/560480646.db2.gz BRSUHZSMTGIIML-VIFPVBQESA-N 1 1 357.208 2.431 20 5 FEBDMO CNc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456055698 560505722 /nfs/dbraw/zinc/50/57/22/560505722.db2.gz TVXGZIKUWWYWMO-HIFRSBDPSA-N 1 1 369.425 2.424 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000457049073 560545662 /nfs/dbraw/zinc/54/56/62/560545662.db2.gz FNLGWHWKLIMPHE-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO COc1ccc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000457927635 560594632 /nfs/dbraw/zinc/59/46/32/560594632.db2.gz MLNZVKLFXBGEKK-CYBMUJFWSA-N 1 1 350.419 2.135 20 5 FEBDMO Cn1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000458176579 560606941 /nfs/dbraw/zinc/60/69/41/560606941.db2.gz UKXIZBWNYWXSLS-AWEZNQCLSA-N 1 1 371.441 2.457 20 5 FEBDMO CCNC(=O)C(C)(C)[NH2+]Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000459557745 560694009 /nfs/dbraw/zinc/69/40/09/560694009.db2.gz DNQCSGCRCFRTHZ-UHFFFAOYSA-N 1 1 361.345 2.209 20 5 FEBDMO CC(C)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cnn(C)c1 ZINC000459576668 560695348 /nfs/dbraw/zinc/69/53/48/560695348.db2.gz FLBRXRZSWOKMTL-UHFFFAOYSA-N 1 1 371.441 2.376 20 5 FEBDMO CC(C)C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)Cc1cnn(C)c1 ZINC000459576668 560695350 /nfs/dbraw/zinc/69/53/50/560695350.db2.gz FLBRXRZSWOKMTL-UHFFFAOYSA-N 1 1 371.441 2.376 20 5 FEBDMO COCCNC(=O)C1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000459756301 560706445 /nfs/dbraw/zinc/70/64/45/560706445.db2.gz NYVJQQYWXQQFMB-UHFFFAOYSA-N 1 1 359.382 2.240 20 5 FEBDMO Cc1cccc(NCCNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)[nH+]1 ZINC000461610048 560776280 /nfs/dbraw/zinc/77/62/80/560776280.db2.gz LJZJHQLMHMOAEN-UHFFFAOYSA-N 1 1 366.381 2.326 20 5 FEBDMO COc1ccc(CNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1[N+](=O)[O-] ZINC000461926967 560788289 /nfs/dbraw/zinc/78/82/89/560788289.db2.gz IRCVXGCPNLWUMP-UHFFFAOYSA-N 1 1 360.370 2.117 20 5 FEBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000463453635 560815680 /nfs/dbraw/zinc/81/56/80/560815680.db2.gz HECCFMUPPGVMPK-LLVKDONJSA-N 1 1 372.219 2.407 20 5 FEBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000463453635 560815681 /nfs/dbraw/zinc/81/56/81/560815681.db2.gz HECCFMUPPGVMPK-LLVKDONJSA-N 1 1 372.219 2.407 20 5 FEBDMO COC(=O)C[C@@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000464598805 560846452 /nfs/dbraw/zinc/84/64/52/560846452.db2.gz OCNFJOYRECLOHA-KRWDZBQOSA-N 1 1 361.354 2.062 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-] ZINC000466819983 560896552 /nfs/dbraw/zinc/89/65/52/560896552.db2.gz VGXSBAAZCQKKKE-MLGOLLRUSA-N 1 1 369.425 2.454 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@@H]1C ZINC000467072576 560902840 /nfs/dbraw/zinc/90/28/40/560902840.db2.gz BQNLHEJMNZJMSJ-JQWIXIFHSA-N 1 1 361.489 2.458 20 5 FEBDMO CC[C@@H]1C[N@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCCO1 ZINC000467565343 560912705 /nfs/dbraw/zinc/91/27/05/560912705.db2.gz UKJBHULZVQZBMT-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO CC[C@@H]1C[N@@H+](Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCCO1 ZINC000467565343 560912706 /nfs/dbraw/zinc/91/27/06/560912706.db2.gz UKJBHULZVQZBMT-CQSZACIVSA-N 1 1 352.387 2.148 20 5 FEBDMO O=C(NC[C@@H]1CCCN(C/C=C/c2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000469848369 560966418 /nfs/dbraw/zinc/96/64/18/560966418.db2.gz IZSGVUVLBMAMAK-WIVVLVHASA-N 1 1 372.469 2.188 20 5 FEBDMO CCOc1ccc(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000470083330 560973903 /nfs/dbraw/zinc/97/39/03/560973903.db2.gz VEOJBBFMCISBKV-AWEZNQCLSA-N 1 1 365.430 2.224 20 5 FEBDMO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000471568403 561007495 /nfs/dbraw/zinc/00/74/95/561007495.db2.gz ZDQYFQGPRMJHCG-SJLPKXTDSA-N 1 1 372.425 2.332 20 5 FEBDMO CC[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000471568403 561007496 /nfs/dbraw/zinc/00/74/96/561007496.db2.gz ZDQYFQGPRMJHCG-SJLPKXTDSA-N 1 1 372.425 2.332 20 5 FEBDMO C[NH+]1CCN(c2cc(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)ccn2)CC1 ZINC000473350050 561048029 /nfs/dbraw/zinc/04/80/29/561048029.db2.gz DCQPFXABBJWCHT-UHFFFAOYSA-N 1 1 359.361 2.133 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000475753410 561104461 /nfs/dbraw/zinc/10/44/61/561104461.db2.gz XWBNEPJUVPAGPH-AEFFLSMTSA-N 1 1 350.415 2.227 20 5 FEBDMO CC(C)c1[nH+]ccn1CCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000530572699 562416276 /nfs/dbraw/zinc/41/62/76/562416276.db2.gz WAYYNQSOFCNIGN-UHFFFAOYSA-N 1 1 372.429 2.049 20 5 FEBDMO CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cn3)cc2)CC1 ZINC000532134328 562468120 /nfs/dbraw/zinc/46/81/20/562468120.db2.gz FYDAFTKQPSTFGA-UHFFFAOYSA-N 1 1 369.425 2.380 20 5 FEBDMO O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000532175623 562470012 /nfs/dbraw/zinc/47/00/12/562470012.db2.gz GUKSURNGBODQSP-QZTJIDSGSA-N 1 1 372.425 2.449 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000532982623 562494696 /nfs/dbraw/zinc/49/46/96/562494696.db2.gz YDSVAXCQXBPIIM-MRXNPFEDSA-N 1 1 374.441 2.319 20 5 FEBDMO O=C(C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C1CC1)C1CCCC1 ZINC000533380920 562506910 /nfs/dbraw/zinc/50/69/10/562506910.db2.gz ZHFLAKYCOJOOOF-CQSZACIVSA-N 1 1 373.457 2.410 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)N(C1CC1)C1CCCC1 ZINC000533380920 562506911 /nfs/dbraw/zinc/50/69/11/562506911.db2.gz ZHFLAKYCOJOOOF-CQSZACIVSA-N 1 1 373.457 2.410 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000533469331 562509976 /nfs/dbraw/zinc/50/99/76/562509976.db2.gz UOPYCOFWARGUPN-PBHICJAKSA-N 1 1 364.446 2.345 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000533474479 562510158 /nfs/dbraw/zinc/51/01/58/562510158.db2.gz JBBZMYRMBKRPKP-UHFFFAOYSA-N 1 1 360.370 2.033 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000541282493 562607873 /nfs/dbraw/zinc/60/78/73/562607873.db2.gz QODJWMUUZOVWOY-HRCADAONSA-N 1 1 350.415 2.083 20 5 FEBDMO COc1ccc(OCC[N@@H+](C)C2CCC(NC(C)=O)CC2)c([N+](=O)[O-])c1 ZINC000541314602 562608847 /nfs/dbraw/zinc/60/88/47/562608847.db2.gz GVBUPNPZWSPYEZ-UHFFFAOYSA-N 1 1 365.430 2.361 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000557569340 674454386 /nfs/dbraw/zinc/45/43/86/674454386.db2.gz GZGIREYANASATE-ZDUSSCGKSA-N 1 1 350.419 2.761 20 5 FEBDMO CN(C)S(=O)(=O)CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000558509429 674501047 /nfs/dbraw/zinc/50/10/47/674501047.db2.gz SUHTYTJYOCRSTQ-QGZVFWFLSA-N 1 1 363.439 2.165 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809809821 674511258 /nfs/dbraw/zinc/51/12/58/674511258.db2.gz AUAIETPFAAOXMN-UHFFFAOYSA-N 1 1 368.242 2.274 20 5 FEBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@@H+](C)C1CC1 ZINC000809814390 674511646 /nfs/dbraw/zinc/51/16/46/674511646.db2.gz KADQMELTTJNLFZ-MRVPVSSYSA-N 1 1 365.814 2.148 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000810091391 674531157 /nfs/dbraw/zinc/53/11/57/674531157.db2.gz SJMDHGWDRCRRNL-SECBINFHSA-N 1 1 367.830 2.394 20 5 FEBDMO CC[C@H]1C[N@H+]2CCCC[C@H]2CN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821000686 606226287 /nfs/dbraw/zinc/22/62/87/606226287.db2.gz HXBDWLBUNZGEHF-KBPBESRZSA-N 1 1 357.418 2.228 20 5 FEBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000810463610 674545719 /nfs/dbraw/zinc/54/57/19/674545719.db2.gz CFMJHCZDRVSDHQ-SNVBAGLBSA-N 1 1 356.810 2.032 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCCCNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000820709317 607168680 /nfs/dbraw/zinc/16/86/80/607168680.db2.gz HGUBJNJJWOCCLO-LBPRGKRZSA-N 1 1 360.422 2.094 20 5 FEBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000052134626 670309234 /nfs/dbraw/zinc/30/92/34/670309234.db2.gz MTDBPRNFPQYORN-CQSZACIVSA-N 1 1 359.423 2.028 20 5 FEBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000052134626 670309239 /nfs/dbraw/zinc/30/92/39/670309239.db2.gz MTDBPRNFPQYORN-CQSZACIVSA-N 1 1 359.423 2.028 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000576515089 671373998 /nfs/dbraw/zinc/37/39/98/671373998.db2.gz LAKDZDAEUUKZJZ-QGZVFWFLSA-N 1 1 365.455 2.440 20 5 FEBDMO O=[N+]([O-])c1ccc(NCC[N@@H+]2CC=CCC2)c(F)c1N1CCOCC1 ZINC000576598582 671381125 /nfs/dbraw/zinc/38/11/25/671381125.db2.gz RINUJLFSXGFGLV-UHFFFAOYSA-N 1 1 350.394 2.244 20 5 FEBDMO CS(=O)(=O)c1ccc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000609350918 675919621 /nfs/dbraw/zinc/91/96/21/675919621.db2.gz WDXYVARUWRPJFY-ZDUSSCGKSA-N 1 1 353.444 2.063 20 5 FEBDMO CCCc1n[nH]c(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000609476781 675923296 /nfs/dbraw/zinc/92/32/96/675923296.db2.gz RBZCVALAXXLCLF-XQQFMLRXSA-N 1 1 351.451 2.367 20 5 FEBDMO COCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609705311 675933484 /nfs/dbraw/zinc/93/34/84/675933484.db2.gz UANNLSKOQWQAKX-UHFFFAOYSA-N 1 1 355.822 2.223 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000610135398 675956197 /nfs/dbraw/zinc/95/61/97/675956197.db2.gz RCWVQNIBOYHXMA-ZIAGYGMSSA-N 1 1 355.460 2.397 20 5 FEBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123004163 671973701 /nfs/dbraw/zinc/97/37/01/671973701.db2.gz SPVYPSFDWBJSNV-GXSJLCMTSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123004163 671973703 /nfs/dbraw/zinc/97/37/03/671973703.db2.gz SPVYPSFDWBJSNV-GXSJLCMTSA-N 1 1 356.220 2.443 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000124579446 671999667 /nfs/dbraw/zinc/99/96/67/671999667.db2.gz KPGSCBRVLNQXLU-GHMZBOCLSA-N 1 1 373.862 2.460 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000124579446 671999668 /nfs/dbraw/zinc/99/96/68/671999668.db2.gz KPGSCBRVLNQXLU-GHMZBOCLSA-N 1 1 373.862 2.460 20 5 FEBDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000134639279 672124969 /nfs/dbraw/zinc/12/49/69/672124969.db2.gz AIXAUCRMMOSJGJ-OLZOCXBDSA-N 1 1 353.423 2.169 20 5 FEBDMO Cc1cc(F)cc(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000176902062 672377815 /nfs/dbraw/zinc/37/78/15/672377815.db2.gz HKKDHQJXECAZBC-CQSZACIVSA-N 1 1 353.394 2.129 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)c2nc(C)cc(C(=O)OC)c2[N+](=O)[O-])[C@H](C)C1 ZINC000587983937 672443409 /nfs/dbraw/zinc/44/34/09/672443409.db2.gz UEHASCWCYAWNTP-BXUZGUMPSA-N 1 1 350.419 2.251 20 5 FEBDMO CC[N@@H+](C[C@H]1CCOC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204932 676024514 /nfs/dbraw/zinc/02/45/14/676024514.db2.gz BUCLDBPVDICVHY-CHWSQXEVSA-N 1 1 351.403 2.289 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000590562492 672589747 /nfs/dbraw/zinc/58/97/47/672589747.db2.gz LYRXXSPLDLMLFG-CABCVRRESA-N 1 1 353.806 2.183 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591266125 672662850 /nfs/dbraw/zinc/66/28/50/672662850.db2.gz PGKAUKNTCULPQN-QGZVFWFLSA-N 1 1 350.371 2.141 20 5 FEBDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000591266125 672662852 /nfs/dbraw/zinc/66/28/52/672662852.db2.gz PGKAUKNTCULPQN-QGZVFWFLSA-N 1 1 350.371 2.141 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000591845630 672715918 /nfs/dbraw/zinc/71/59/18/672715918.db2.gz CUXMXJGFIQNJFB-CQSZACIVSA-N 1 1 370.247 2.264 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000194214195 672752610 /nfs/dbraw/zinc/75/26/10/672752610.db2.gz GPIMMKGEOJBCAF-CYBMUJFWSA-N 1 1 370.475 2.309 20 5 FEBDMO C[C@H]1CC2(C[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592182715 672767956 /nfs/dbraw/zinc/76/79/56/672767956.db2.gz QGCRLLFZNWMLQW-GOEBONIOSA-N 1 1 350.415 2.226 20 5 FEBDMO C[C@@H]1CC2(C[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592182717 672768234 /nfs/dbraw/zinc/76/82/34/672768234.db2.gz QGCRLLFZNWMLQW-ZBFHGGJFSA-N 1 1 350.415 2.226 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000592383905 672795820 /nfs/dbraw/zinc/79/58/20/672795820.db2.gz RPRHQILXIJCDCD-LBPRGKRZSA-N 1 1 366.443 2.277 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594788941 673142888 /nfs/dbraw/zinc/14/28/88/673142888.db2.gz IJCBLZJQJPDNPG-AWEZNQCLSA-N 1 1 355.460 2.135 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H]2[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000595670772 673281540 /nfs/dbraw/zinc/28/15/40/673281540.db2.gz CRSUCAOHABCOEZ-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000595670772 673281542 /nfs/dbraw/zinc/28/15/42/673281542.db2.gz CRSUCAOHABCOEZ-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596097827 673358227 /nfs/dbraw/zinc/35/82/27/673358227.db2.gz GVHWVSFWTTZGSO-CQSZACIVSA-N 1 1 370.475 2.309 20 5 FEBDMO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nc(C[NH3+])cc(=O)[n-]1 ZINC000596655919 673401532 /nfs/dbraw/zinc/40/15/32/673401532.db2.gz ZQDYBNYMFKQHMC-NSHDSACASA-N 1 1 363.443 2.210 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3N)[C@@H]2C1 ZINC000597100206 673447773 /nfs/dbraw/zinc/44/77/73/673447773.db2.gz GPMFHBSUUZPTJV-NOZJJQNGSA-N 1 1 353.810 2.388 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598733427 673604377 /nfs/dbraw/zinc/60/43/77/673604377.db2.gz DLKPASNNVNYKRU-LLVKDONJSA-N 1 1 366.443 2.331 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000543674792 673660686 /nfs/dbraw/zinc/66/06/86/673660686.db2.gz NUHPOHDSHQBHKR-YPMHNXCESA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000543674792 673660688 /nfs/dbraw/zinc/66/06/88/673660688.db2.gz NUHPOHDSHQBHKR-YPMHNXCESA-N 1 1 353.444 2.115 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599464221 673678726 /nfs/dbraw/zinc/67/87/26/673678726.db2.gz KKPLJDSXRAIINL-INIZCTEOSA-N 1 1 367.471 2.074 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cnc(C3CC3)s2)cc1 ZINC000544597070 673719720 /nfs/dbraw/zinc/71/97/20/673719720.db2.gz LZJPCMPVPZSFAU-UHFFFAOYSA-N 1 1 367.452 2.492 20 5 FEBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000600007080 673733644 /nfs/dbraw/zinc/73/36/44/673733644.db2.gz PEMVXADZVYHCPL-UHFFFAOYSA-N 1 1 351.378 2.061 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743393317 673758288 /nfs/dbraw/zinc/75/82/88/673758288.db2.gz NIGKRYRJUDTGJY-LLVKDONJSA-N 1 1 360.256 2.175 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000547248365 673838156 /nfs/dbraw/zinc/83/81/56/673838156.db2.gz VXWJTOFGKCLKDV-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@@H+]2CC=C(C)CC2)c1 ZINC000547248365 673838158 /nfs/dbraw/zinc/83/81/58/673838158.db2.gz VXWJTOFGKCLKDV-UHFFFAOYSA-N 1 1 353.444 2.142 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000601420559 673859814 /nfs/dbraw/zinc/85/98/14/673859814.db2.gz VJFKOQNDLLRJSE-LLVKDONJSA-N 1 1 373.500 2.460 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH+]1 ZINC000746400644 673876058 /nfs/dbraw/zinc/87/60/58/673876058.db2.gz UVDYFRRBEDBYIE-UHFFFAOYSA-N 1 1 370.818 2.342 20 5 FEBDMO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1Br ZINC000602573222 673908402 /nfs/dbraw/zinc/90/84/02/673908402.db2.gz ZEXNQPMTEBBINM-QMMMGPOBSA-N 1 1 369.262 2.086 20 5 FEBDMO C[C@@H]1[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCS1(=O)=O ZINC000602725846 673910041 /nfs/dbraw/zinc/91/00/41/673910041.db2.gz MJTGAYGIXCCTLI-LDYMZIIASA-N 1 1 352.334 2.279 20 5 FEBDMO CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000548453580 673959978 /nfs/dbraw/zinc/95/99/78/673959978.db2.gz UONZFYDOXDESCY-HNNXBMFYSA-N 1 1 351.451 2.131 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)CC1 ZINC000823204564 675536230 /nfs/dbraw/zinc/53/62/30/675536230.db2.gz HSXQUKKUNXANML-UHFFFAOYSA-N 1 1 368.821 2.374 20 5 FEBDMO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC[N@H+]1C ZINC000827491063 675760356 /nfs/dbraw/zinc/76/03/56/675760356.db2.gz KXNVODPWIJQJJU-GFCCVEGCSA-N 1 1 371.235 2.165 20 5 FEBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)CCc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000827837521 675782497 /nfs/dbraw/zinc/78/24/97/675782497.db2.gz XMCOQBIFGCYKCO-LBPRGKRZSA-N 1 1 369.849 2.142 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2CCC[N@H+]2CCCO)cc1Cl ZINC000828423535 675818953 /nfs/dbraw/zinc/81/89/53/675818953.db2.gz WWJQTOLTDACHMI-NSHDSACASA-N 1 1 371.821 2.294 20 5 FEBDMO C[C@@H]1CN(Cn2c3cc([N+](=O)[O-])ccc3oc2=S)C[C@H](C)[N@@H+]1CCO ZINC000840134303 680801265 /nfs/dbraw/zinc/80/12/65/680801265.db2.gz MOBFQXCYYNFXPH-TXEJJXNPSA-N 1 1 366.443 2.216 20 5 FEBDMO COC(=O)[C@H]1CSCC[N@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000840186270 680805596 /nfs/dbraw/zinc/80/55/96/680805596.db2.gz MUQYWUHYMINROM-GFCCVEGCSA-N 1 1 364.427 2.048 20 5 FEBDMO COC(=O)[C@H]1CSCC[N@@H+](Cn2nc(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000840186270 680805597 /nfs/dbraw/zinc/80/55/97/680805597.db2.gz MUQYWUHYMINROM-GFCCVEGCSA-N 1 1 364.427 2.048 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831818730 680047557 /nfs/dbraw/zinc/04/75/57/680047557.db2.gz OIAQETHJDXUJCK-UHFFFAOYSA-N 1 1 353.423 2.171 20 5 FEBDMO CCCN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000832742498 680171660 /nfs/dbraw/zinc/17/16/60/680171660.db2.gz ITWSXECZJWKGBJ-LBPRGKRZSA-N 1 1 368.821 2.129 20 5 FEBDMO C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000752072662 680221931 /nfs/dbraw/zinc/22/19/31/680221931.db2.gz JFXTXDIMCIEULZ-STQMWFEESA-N 1 1 353.423 2.026 20 5 FEBDMO CC(C)(C)c1csc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC3[N+](=O)[O-])C2)n1 ZINC000983658105 680318665 /nfs/dbraw/zinc/31/86/65/680318665.db2.gz PXIOKGQCJBCHJJ-FDYHWXHSSA-N 1 1 366.487 2.090 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000997769435 680365744 /nfs/dbraw/zinc/36/57/44/680365744.db2.gz OBRDVDZJDBCVEO-CHWSQXEVSA-N 1 1 357.863 2.395 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000768712160 680955865 /nfs/dbraw/zinc/95/58/65/680955865.db2.gz KDUZPUXGWUFQLD-CYBMUJFWSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000768712160 680955868 /nfs/dbraw/zinc/95/58/68/680955868.db2.gz KDUZPUXGWUFQLD-CYBMUJFWSA-N 1 1 366.849 2.147 20 5 FEBDMO CC[NH2+]Cc1noc(-c2cc([N+](=O)[O-])ccc2I)n1 ZINC000843143853 680989795 /nfs/dbraw/zinc/98/97/95/680989795.db2.gz JXDRANHZYMKTDD-UHFFFAOYSA-N 1 1 374.138 2.359 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000769708355 680992328 /nfs/dbraw/zinc/99/23/28/680992328.db2.gz TXJNNRZRRBZYLC-UHFFFAOYSA-N 1 1 350.375 2.355 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c1 ZINC000771067081 681040096 /nfs/dbraw/zinc/04/00/96/681040096.db2.gz OUGWZABISHZVEK-CYBMUJFWSA-N 1 1 353.394 2.434 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000845741592 681150011 /nfs/dbraw/zinc/15/00/11/681150011.db2.gz UBOULGYYWIPJPG-NSHDSACASA-N 1 1 350.371 2.396 20 5 FEBDMO CCC[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000776595877 681412961 /nfs/dbraw/zinc/41/29/61/681412961.db2.gz BSWDXXPRUQOQHE-ZWKOTPCHSA-N 1 1 351.447 2.061 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOC[C@H]2CC2CCOCC2)c1 ZINC000934636846 681603604 /nfs/dbraw/zinc/60/36/04/681603604.db2.gz DXZRWWPOLVDCIS-QZTJIDSGSA-N 1 1 350.415 2.146 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCOC[C@H]2CC2CCOCC2)c1 ZINC000934636846 681603609 /nfs/dbraw/zinc/60/36/09/681603609.db2.gz DXZRWWPOLVDCIS-QZTJIDSGSA-N 1 1 350.415 2.146 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cs1 ZINC000849461748 681747491 /nfs/dbraw/zinc/74/74/91/681747491.db2.gz ZDQMWVWDCOVLBV-NSHDSACASA-N 1 1 359.473 2.342 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000781567703 681949141 /nfs/dbraw/zinc/94/91/41/681949141.db2.gz QKZGXPIWDPSPIE-CQSZACIVSA-N 1 1 350.375 2.036 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NCc1cc([N+](=O)[O-])ccc1OC ZINC000917594664 685533239 /nfs/dbraw/zinc/53/32/39/685533239.db2.gz VBBCLTJIOCFALG-CQSZACIVSA-N 1 1 352.460 2.052 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000856478582 682787420 /nfs/dbraw/zinc/78/74/20/682787420.db2.gz CYWLCGVOLIJEMM-LBPRGKRZSA-N 1 1 350.394 2.168 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000859337703 683086475 /nfs/dbraw/zinc/08/64/75/683086475.db2.gz NVTHNTZHYNOQGX-GFCCVEGCSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc([N+](=O)[O-])c3Cl)C2)CC1 ZINC000859337703 683086481 /nfs/dbraw/zinc/08/64/81/683086481.db2.gz NVTHNTZHYNOQGX-GFCCVEGCSA-N 1 1 366.849 2.147 20 5 FEBDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000796164839 683135565 /nfs/dbraw/zinc/13/55/65/683135565.db2.gz ZKFDEXCIRPWQPM-CVEARBPZSA-N 1 1 351.403 2.229 20 5 FEBDMO Cc1c[nH+]cn1CC(=O)O[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000859951736 683177205 /nfs/dbraw/zinc/17/72/05/683177205.db2.gz UAEPXIHSEDFVIW-JTQLQIEISA-N 1 1 366.761 2.324 20 5 FEBDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[C@H](C)O2 ZINC000797528820 683257015 /nfs/dbraw/zinc/25/70/15/683257015.db2.gz XIVNWGCAVPXLGI-LTCOOKNTSA-N 1 1 350.415 2.287 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000797832384 683278512 /nfs/dbraw/zinc/27/85/12/683278512.db2.gz XRIFPLISWPXJLF-LBPRGKRZSA-N 1 1 359.423 2.193 20 5 FEBDMO O=C(N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928093615 683382544 /nfs/dbraw/zinc/38/25/44/683382544.db2.gz DITRSSMMFDLOJY-GDBMZVCRSA-N 1 1 360.439 2.386 20 5 FEBDMO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862217072 683551660 /nfs/dbraw/zinc/55/16/60/683551660.db2.gz UKZWDQCUAPZKFV-UHFFFAOYSA-N 1 1 353.806 2.185 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000866863668 684170088 /nfs/dbraw/zinc/17/00/88/684170088.db2.gz RWQRKONUMXBTIT-JSGCOSHPSA-N 1 1 373.450 2.393 20 5 FEBDMO C[N@H+]1CC[C@@H]1CNC(=O)N[C@H](c1cccc([N+](=O)[O-])c1F)C(F)(F)F ZINC000931731345 684338635 /nfs/dbraw/zinc/33/86/35/684338635.db2.gz AUYVGCFMMACCPC-PRHODGIISA-N 1 1 364.299 2.341 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000925147019 684529149 /nfs/dbraw/zinc/52/91/49/684529149.db2.gz ZAMNLEQALXBOIP-HOCLYGCPSA-N 1 1 364.471 2.316 20 5 FEBDMO C[C@@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872071476 684918163 /nfs/dbraw/zinc/91/81/63/684918163.db2.gz PWOXOEYLXMDKAP-NEPJUHHUSA-N 1 1 359.423 2.199 20 5 FEBDMO C[C@@H]([NH2+]C[C@H]1CCCCN1S(C)(=O)=O)c1c(F)cccc1[N+](=O)[O-] ZINC000872071479 684918319 /nfs/dbraw/zinc/91/83/19/684918319.db2.gz PWOXOEYLXMDKAP-VXGBXAGGSA-N 1 1 359.423 2.199 20 5 FEBDMO Cn1cc(C[N@@H+](C)C2CCN(C(=O)OC(C)(C)C)CC2)c([N+](=O)[O-])n1 ZINC000876613997 686228528 /nfs/dbraw/zinc/22/85/28/686228528.db2.gz HONLAKNVIXQPNP-UHFFFAOYSA-N 1 1 353.423 2.160 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCC(CO)(CO)CC3)cs2)c1 ZINC000877797446 686464885 /nfs/dbraw/zinc/46/48/85/686464885.db2.gz IWWGYUCYUJXZBX-UHFFFAOYSA-N 1 1 363.439 2.285 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000879574992 686860470 /nfs/dbraw/zinc/86/04/70/686860470.db2.gz HSEQODXHHGJAQV-BXUZGUMPSA-N 1 1 352.822 2.213 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000879575949 686861790 /nfs/dbraw/zinc/86/17/90/686861790.db2.gz PCTPZLBCJBIURA-RISCZKNCSA-N 1 1 352.822 2.213 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000880581603 687062403 /nfs/dbraw/zinc/06/24/03/687062403.db2.gz FDYZANUEBQSEDV-ZDUSSCGKSA-N 1 1 354.378 2.106 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c([N+](=O)[O-])cc1F ZINC000880581603 687062406 /nfs/dbraw/zinc/06/24/06/687062406.db2.gz FDYZANUEBQSEDV-ZDUSSCGKSA-N 1 1 354.378 2.106 20 5 FEBDMO C[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883178185 687582788 /nfs/dbraw/zinc/58/27/88/687582788.db2.gz QORPSMNIXUDGPB-GFCCVEGCSA-N 1 1 371.235 2.251 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(C)sc1[N+](=O)[O-] ZINC000885459208 688078391 /nfs/dbraw/zinc/07/83/91/688078391.db2.gz CWNFRIDUVBIMDF-NEPJUHHUSA-N 1 1 359.473 2.212 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@]2(C)C1 ZINC000887929448 688521516 /nfs/dbraw/zinc/52/15/16/688521516.db2.gz XEWJOTQPRBULDX-HWPZZCPQSA-N 1 1 355.341 2.220 20 5 FEBDMO COc1c(O)ccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1[N+](=O)[O-] ZINC000891802097 689109511 /nfs/dbraw/zinc/10/95/11/689109511.db2.gz NEYKQTWCIKQIIH-UHFFFAOYSA-N 1 1 364.427 2.478 20 5 FEBDMO COc1c(O)ccc(C[N@H+]2CCCN(c3nccs3)CC2)c1[N+](=O)[O-] ZINC000891802097 689109514 /nfs/dbraw/zinc/10/95/14/689109514.db2.gz NEYKQTWCIKQIIH-UHFFFAOYSA-N 1 1 364.427 2.478 20 5 FEBDMO C[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])[C@H]1C[N@@H+](C)CCN1C ZINC000895246116 689683168 /nfs/dbraw/zinc/68/31/68/689683168.db2.gz LMTYKZVICHFYTN-IINYFYTJSA-N 1 1 357.252 2.404 20 5 FEBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000895570741 689737350 /nfs/dbraw/zinc/73/73/50/689737350.db2.gz XDPOJOQUYOTYSG-RKDXNWHRSA-N 1 1 365.381 2.339 20 5 FEBDMO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000895570741 689737352 /nfs/dbraw/zinc/73/73/52/689737352.db2.gz XDPOJOQUYOTYSG-RKDXNWHRSA-N 1 1 365.381 2.339 20 5 FEBDMO COC(=O)[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000895708093 689757552 /nfs/dbraw/zinc/75/75/52/689757552.db2.gz PBDAJMCAUDIFSM-KRWDZBQOSA-N 1 1 362.407 2.433 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000897220083 689990283 /nfs/dbraw/zinc/99/02/83/689990283.db2.gz SCUZHTNCSMRRFN-QWHCGFSZSA-N 1 1 370.247 2.393 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897220083 689990285 /nfs/dbraw/zinc/99/02/85/689990285.db2.gz SCUZHTNCSMRRFN-QWHCGFSZSA-N 1 1 370.247 2.393 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000897685041 690062915 /nfs/dbraw/zinc/06/29/15/690062915.db2.gz ZGJZGAYFVYMFDT-SKDRFNHKSA-N 1 1 364.320 2.357 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000897685041 690062919 /nfs/dbraw/zinc/06/29/19/690062919.db2.gz ZGJZGAYFVYMFDT-SKDRFNHKSA-N 1 1 364.320 2.357 20 5 FEBDMO COc1cc([C@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC000903091675 690843235 /nfs/dbraw/zinc/84/32/35/690843235.db2.gz YMYKTSJUCROPTR-GJZGRUSLSA-N 1 1 350.463 2.138 20 5 FEBDMO COc1cc([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903200773 690865739 /nfs/dbraw/zinc/86/57/39/690865739.db2.gz UCYWGFQLHTZGHV-SECBINFHSA-N 1 1 370.349 2.231 20 5 FEBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000906201355 691241789 /nfs/dbraw/zinc/24/17/89/691241789.db2.gz PDDBWPDCNHGOCP-GXTWGEPZSA-N 1 1 357.382 2.183 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000906201355 691241790 /nfs/dbraw/zinc/24/17/90/691241790.db2.gz PDDBWPDCNHGOCP-GXTWGEPZSA-N 1 1 357.382 2.183 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Cl)c(N)c([N+](=O)[O-])c2)C1 ZINC000907063913 691384510 /nfs/dbraw/zinc/38/45/10/691384510.db2.gz DRHBWOYJGXTVNI-GXFFZTMASA-N 1 1 352.822 2.387 20 5 FEBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(C)c1[N+](=O)[O-])C2 ZINC001164813582 720089124 /nfs/dbraw/zinc/08/91/24/720089124.db2.gz TYCSHDPPJKJERR-LPHOPBHVSA-N 1 1 360.458 2.483 20 5 FEBDMO Cc1nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164868324 721048287 /nfs/dbraw/zinc/04/82/87/721048287.db2.gz NTSWVYCIQFWWAO-DLBZAZTESA-N 1 1 369.425 2.173 20 5 FEBDMO O=[N+]([O-])c1cnc(Cl)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164790783 721390413 /nfs/dbraw/zinc/39/04/13/721390413.db2.gz YFFAMFAMUVGXOB-NXEZZACHSA-N 1 1 366.834 2.063 20 5 FEBDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)[C@H]2CCCO[C@H]12 ZINC001164794233 721527611 /nfs/dbraw/zinc/52/76/11/721527611.db2.gz ADMRXHNTHGNLRD-SCTDSRPQSA-N 1 1 369.425 2.253 20 5 FEBDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc([N+](=O)[O-])ccn2)[C@H]2CCCO[C@H]12 ZINC001164794233 721527617 /nfs/dbraw/zinc/52/76/17/721527617.db2.gz ADMRXHNTHGNLRD-SCTDSRPQSA-N 1 1 369.425 2.253 20 5 FEBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932469 721858261 /nfs/dbraw/zinc/85/82/61/721858261.db2.gz XZSQQONGHBSNNC-ZWKOTPCHSA-N 1 1 355.442 2.358 20 5 FEBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001164932469 721858263 /nfs/dbraw/zinc/85/82/63/721858263.db2.gz XZSQQONGHBSNNC-ZWKOTPCHSA-N 1 1 355.442 2.358 20 5 FEBDMO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000549162726 674020565 /nfs/dbraw/zinc/02/05/65/674020565.db2.gz RVWCEFUNRIBXMT-LLVKDONJSA-N 1 1 353.375 2.253 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000549252455 674028791 /nfs/dbraw/zinc/02/87/91/674028791.db2.gz QYPKRINQUHRABC-YIONKMFJSA-N 1 1 351.451 2.198 20 5 FEBDMO C[N@@H+](CCOc1ccccc1F)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000025697696 539766853 /nfs/dbraw/zinc/76/68/53/539766853.db2.gz QBRUMGJCDXDFOU-OAHLLOKOSA-N 1 1 364.373 2.484 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)CSc2ccc([N+](=O)[O-])cc2)C1 ZINC000027146605 539801425 /nfs/dbraw/zinc/80/14/25/539801425.db2.gz ICDVBHPWNXBODA-OAHLLOKOSA-N 1 1 367.471 2.160 20 5 FEBDMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H](C)CO ZINC000549974361 674076268 /nfs/dbraw/zinc/07/62/68/674076268.db2.gz ILVNKMWLJNNGEC-VIFPVBQESA-N 1 1 364.183 2.402 20 5 FEBDMO CC[N@@H+]1CCc2nc(NC(=O)COc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000028963760 539840037 /nfs/dbraw/zinc/84/00/37/539840037.db2.gz ZIULUSKADGHKGA-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO CC[N@H+]1CCc2nc(NC(=O)COc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000028963760 539840039 /nfs/dbraw/zinc/84/00/39/539840039.db2.gz ZIULUSKADGHKGA-UHFFFAOYSA-N 1 1 362.411 2.447 20 5 FEBDMO O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)c(F)c1 ZINC000029584850 539857113 /nfs/dbraw/zinc/85/71/13/539857113.db2.gz JPBIBNUNDUNVKE-UHFFFAOYSA-N 1 1 360.393 2.148 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000041423010 540020562 /nfs/dbraw/zinc/02/05/62/540020562.db2.gz ISOJARDZAOEGAZ-ZDUSSCGKSA-N 1 1 355.460 2.160 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000044533240 540129470 /nfs/dbraw/zinc/12/94/70/540129470.db2.gz OTOWUGXZAGZXKO-CQSZACIVSA-N 1 1 357.414 2.385 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000045809661 540229326 /nfs/dbraw/zinc/22/93/26/540229326.db2.gz GDNRWUQCIJIYRI-HNNXBMFYSA-N 1 1 369.468 2.379 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000047032721 540286457 /nfs/dbraw/zinc/28/64/57/540286457.db2.gz QUKYEUUGFTVGRR-INIZCTEOSA-N 1 1 367.402 2.315 20 5 FEBDMO C[N@@H+](CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)Cc1ccccc1 ZINC000056192034 540711146 /nfs/dbraw/zinc/71/11/46/540711146.db2.gz SPTVGHLFANPAND-UHFFFAOYSA-N 1 1 357.366 2.185 20 5 FEBDMO CC(C)CNC(=O)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350382 541202453 /nfs/dbraw/zinc/20/24/53/541202453.db2.gz XMFDRJPVURTXAH-UHFFFAOYSA-N 1 1 350.419 2.287 20 5 FEBDMO CC(C)CNC(=O)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350382 541202457 /nfs/dbraw/zinc/20/24/57/541202457.db2.gz XMFDRJPVURTXAH-UHFFFAOYSA-N 1 1 350.419 2.287 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067211716 541432858 /nfs/dbraw/zinc/43/28/58/541432858.db2.gz ZHBURXKRLMFGLQ-UHFFFAOYSA-N 1 1 354.370 2.106 20 5 FEBDMO CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068240000 541567038 /nfs/dbraw/zinc/56/70/38/541567038.db2.gz AAZDGNCORZNSKA-CYBMUJFWSA-N 1 1 367.402 2.068 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000069440999 541686998 /nfs/dbraw/zinc/68/69/98/541686998.db2.gz HAJZRTUIZQUOKK-HNNXBMFYSA-N 1 1 364.446 2.393 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000069423893 541685662 /nfs/dbraw/zinc/68/56/62/541685662.db2.gz BREWBIMWCBAEOT-HUUCEWRRSA-N 1 1 364.446 2.393 20 5 FEBDMO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069742840 541709627 /nfs/dbraw/zinc/70/96/27/541709627.db2.gz PCKMZWJHGBIUEY-ZDUSSCGKSA-N 1 1 367.833 2.433 20 5 FEBDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000075768079 542202953 /nfs/dbraw/zinc/20/29/53/542202953.db2.gz NAOCYMSDVUHLMT-GVDBMIGSSA-N 1 1 366.462 2.212 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000075741040 542201638 /nfs/dbraw/zinc/20/16/38/542201638.db2.gz FJTZZGWLGCANGG-XJKSGUPXSA-N 1 1 352.341 2.268 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)c1 ZINC000075964890 542218795 /nfs/dbraw/zinc/21/87/95/542218795.db2.gz GFFCAUZNHIVTLR-ZBFHGGJFSA-N 1 1 362.455 2.266 20 5 FEBDMO C[NH+](C)C1(CNC[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000551594685 674153253 /nfs/dbraw/zinc/15/32/53/674153253.db2.gz UQNUDUIBYUVQRE-OAHLLOKOSA-N 1 1 351.447 2.189 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1nnc2ccccn21 ZINC000081018150 542625206 /nfs/dbraw/zinc/62/52/06/542625206.db2.gz SBHVOWBDOUODIQ-UHFFFAOYSA-N 1 1 368.397 2.407 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1nnc2ccccn21 ZINC000081018150 542625209 /nfs/dbraw/zinc/62/52/09/542625209.db2.gz SBHVOWBDOUODIQ-UHFFFAOYSA-N 1 1 368.397 2.407 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NCc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000083736994 542703291 /nfs/dbraw/zinc/70/32/91/542703291.db2.gz TVKXWDPLTPNMMI-LBPRGKRZSA-N 1 1 360.418 2.263 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089933474 542776007 /nfs/dbraw/zinc/77/60/07/542776007.db2.gz OWRFIORPSWXMFN-YNEHKIRRSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c([N+](=O)[O-])c1 ZINC000089933474 542776010 /nfs/dbraw/zinc/77/60/10/542776010.db2.gz OWRFIORPSWXMFN-YNEHKIRRSA-N 1 1 351.403 2.023 20 5 FEBDMO Cc1ccc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000089962115 542778129 /nfs/dbraw/zinc/77/81/29/542778129.db2.gz HDLYIASZLDHPHI-MSOLQXFVSA-N 1 1 369.421 2.268 20 5 FEBDMO Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000089962117 542778488 /nfs/dbraw/zinc/77/84/88/542778488.db2.gz HDLYIASZLDHPHI-QZTJIDSGSA-N 1 1 369.421 2.268 20 5 FEBDMO Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000091479733 542810180 /nfs/dbraw/zinc/81/01/80/542810180.db2.gz FTPLLUKJWPPAQN-NSHDSACASA-N 1 1 361.358 2.411 20 5 FEBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092100340 542846029 /nfs/dbraw/zinc/84/60/29/542846029.db2.gz FZSLPYSGEXTXFA-HNNXBMFYSA-N 1 1 371.441 2.296 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000092642210 542876531 /nfs/dbraw/zinc/87/65/31/542876531.db2.gz QCTHOXPYDRUZOF-ZDUSSCGKSA-N 1 1 357.414 2.142 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000092765285 542886286 /nfs/dbraw/zinc/88/62/86/542886286.db2.gz JFHXEIKUBISSHH-INIZCTEOSA-N 1 1 363.458 2.487 20 5 FEBDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN1c1cccnn1 ZINC000106086458 543193004 /nfs/dbraw/zinc/19/30/04/543193004.db2.gz ISQNBSAFQNPOEL-INIZCTEOSA-N 1 1 357.414 2.364 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891733 543252865 /nfs/dbraw/zinc/25/28/65/543252865.db2.gz OYPJUGYCFZZGIJ-CYBMUJFWSA-N 1 1 353.444 2.198 20 5 FEBDMO Cn1cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108784127 543302511 /nfs/dbraw/zinc/30/25/11/543302511.db2.gz DOKOXVFPTKYJHS-CYBMUJFWSA-N 1 1 369.425 2.209 20 5 FEBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000110389732 543356971 /nfs/dbraw/zinc/35/69/71/543356971.db2.gz JGBVILDZHPJLLJ-ALOPSCKCSA-N 1 1 369.425 2.103 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000110507416 543359536 /nfs/dbraw/zinc/35/95/36/543359536.db2.gz WKDREOZSNRDCPK-OAHLLOKOSA-N 1 1 371.441 2.259 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000110507416 543359539 /nfs/dbraw/zinc/35/95/39/543359539.db2.gz WKDREOZSNRDCPK-OAHLLOKOSA-N 1 1 371.441 2.259 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000110993881 543377773 /nfs/dbraw/zinc/37/77/73/543377773.db2.gz FJULWRLJLUCABG-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000111415414 543401007 /nfs/dbraw/zinc/40/10/07/543401007.db2.gz KJBNXOVKOTVGPL-UHFFFAOYSA-N 1 1 369.853 2.349 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000112922018 543468338 /nfs/dbraw/zinc/46/83/38/543468338.db2.gz CLPAVSMEAGEFQL-ZDUSSCGKSA-N 1 1 368.865 2.252 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000113301308 543482981 /nfs/dbraw/zinc/48/29/81/543482981.db2.gz IOIOXJAYSKXLPW-ZDUSSCGKSA-N 1 1 371.459 2.146 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000115546285 543572529 /nfs/dbraw/zinc/57/25/29/543572529.db2.gz MEZDHGDCODKYDF-UHFFFAOYSA-N 1 1 351.447 2.142 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000115585497 543575973 /nfs/dbraw/zinc/57/59/73/543575973.db2.gz AMHSIMOKVQAGPG-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000247500489 549345246 /nfs/dbraw/zinc/34/52/46/549345246.db2.gz UZQVSKWECJMDOV-AAEUAGOBSA-N 1 1 352.822 2.355 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000131857353 544209744 /nfs/dbraw/zinc/20/97/44/544209744.db2.gz LALYJKHOAVXUPH-INIZCTEOSA-N 1 1 371.441 2.304 20 5 FEBDMO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1O2 ZINC000134992016 544330133 /nfs/dbraw/zinc/33/01/33/544330133.db2.gz JFGLKLPEQKZPRP-ZDUSSCGKSA-N 1 1 371.397 2.036 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000135044540 544332190 /nfs/dbraw/zinc/33/21/90/544332190.db2.gz VIDLZFORMYNILK-RDJZCZTQSA-N 1 1 371.441 2.160 20 5 FEBDMO COC(=O)[C@H]1C[C@H](c2ccccc2)C[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000135452916 544347520 /nfs/dbraw/zinc/34/75/20/544347520.db2.gz WIDZTIIFAUBGKF-HOTGVXAUSA-N 1 1 358.398 2.070 20 5 FEBDMO CC[C@@]1(C)C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCO1 ZINC000135630299 544356895 /nfs/dbraw/zinc/35/68/95/544356895.db2.gz ILGLJAPZRSWLHZ-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135721412 544359640 /nfs/dbraw/zinc/35/96/40/544359640.db2.gz JBNASTSNDBIFDA-BBRMVZONSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](S(=O)(=O)N2CCCC2)C1 ZINC000135721412 544359641 /nfs/dbraw/zinc/35/96/41/544359641.db2.gz JBNASTSNDBIFDA-BBRMVZONSA-N 1 1 353.444 2.156 20 5 FEBDMO C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C[C@@H]1CCCN1c1cccnn1 ZINC000137039824 544383317 /nfs/dbraw/zinc/38/33/17/544383317.db2.gz YXUMKKQAEPFUOF-IRXDYDNUSA-N 1 1 357.414 2.019 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000153048017 544726794 /nfs/dbraw/zinc/72/67/94/544726794.db2.gz PCRFFJRSWLJBGQ-RWMBFGLXSA-N 1 1 351.403 2.166 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]2C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000153048017 544726801 /nfs/dbraw/zinc/72/68/01/544726801.db2.gz PCRFFJRSWLJBGQ-RWMBFGLXSA-N 1 1 351.403 2.166 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153422030 544773724 /nfs/dbraw/zinc/77/37/24/544773724.db2.gz BDFVJCRUMRFARN-KBXCAEBGSA-N 1 1 359.426 2.449 20 5 FEBDMO CC(C)[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000803497363 674246377 /nfs/dbraw/zinc/24/63/77/674246377.db2.gz KHUFYFOEDJWPIW-AWEZNQCLSA-N 1 1 357.794 2.316 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000189143667 328131218 /nfs/dbraw/zinc/13/12/18/328131218.db2.gz LMMXWGGMJCWEMY-UONOGXRCSA-N 1 1 355.460 2.135 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCOCC(F)(F)C(F)F)C2)nc1 ZINC000189677609 328161471 /nfs/dbraw/zinc/16/14/71/328161471.db2.gz YRWPVSZLOTZNLA-SNVBAGLBSA-N 1 1 366.315 2.393 20 5 FEBDMO CCc1nnc(C2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000190707773 328226354 /nfs/dbraw/zinc/22/63/54/328226354.db2.gz GHKPXZRTPXOFKE-GFCCVEGCSA-N 1 1 372.429 2.482 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000191716839 328278462 /nfs/dbraw/zinc/27/84/62/328278462.db2.gz JKBXCQJYYFNZIW-INIZCTEOSA-N 1 1 371.441 2.452 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193790179 328395318 /nfs/dbraw/zinc/39/53/18/328395318.db2.gz AXPBRKHWFRRBQP-QGZVFWFLSA-N 1 1 371.441 2.128 20 5 FEBDMO CCOC(=O)c1ccnc(NCCc2cn3c([nH+]2)CCCC3)c1[N+](=O)[O-] ZINC000077911818 325025033 /nfs/dbraw/zinc/02/50/33/325025033.db2.gz NVRBHFIEQYAQHP-UHFFFAOYSA-N 1 1 359.386 2.354 20 5 FEBDMO O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168706 325214249 /nfs/dbraw/zinc/21/42/49/325214249.db2.gz JLLBDBOIRYXVSW-ZDUSSCGKSA-N 1 1 358.398 2.474 20 5 FEBDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168706 325214251 /nfs/dbraw/zinc/21/42/51/325214251.db2.gz JLLBDBOIRYXVSW-ZDUSSCGKSA-N 1 1 358.398 2.474 20 5 FEBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCN(c2ccccc2)C1 ZINC000090551638 325362724 /nfs/dbraw/zinc/36/27/24/325362724.db2.gz VUAIWEGUZSXFDD-KRWDZBQOSA-N 1 1 356.426 2.357 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+](CCO)Cc1ccccc1 ZINC000117335513 326057366 /nfs/dbraw/zinc/05/73/66/326057366.db2.gz XHHGGXGSNGKXOV-UHFFFAOYSA-N 1 1 371.393 2.387 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000117790592 326070690 /nfs/dbraw/zinc/07/06/90/326070690.db2.gz CNPQNEROZPSQSY-CQSZACIVSA-N 1 1 355.822 2.018 20 5 FEBDMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866303 326109934 /nfs/dbraw/zinc/10/99/34/326109934.db2.gz GCSWHNVOHXWZPY-ZNMIVQPWSA-N 1 1 361.446 2.266 20 5 FEBDMO C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866303 326109935 /nfs/dbraw/zinc/10/99/35/326109935.db2.gz GCSWHNVOHXWZPY-ZNMIVQPWSA-N 1 1 361.446 2.266 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000119049606 326121954 /nfs/dbraw/zinc/12/19/54/326121954.db2.gz FYRXRTLOJVGCAU-UHFFFAOYSA-N 1 1 366.443 2.427 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)cc2N1 ZINC000120612001 326272552 /nfs/dbraw/zinc/27/25/52/326272552.db2.gz LKLKSDOUOZPHRD-ZIAGYGMSSA-N 1 1 360.414 2.145 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(NC[C@@H]3C[N@H+]4CCCC[C@@H]4CO3)cc2N1 ZINC000120612001 326272554 /nfs/dbraw/zinc/27/25/54/326272554.db2.gz LKLKSDOUOZPHRD-ZIAGYGMSSA-N 1 1 360.414 2.145 20 5 FEBDMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000120679487 326278293 /nfs/dbraw/zinc/27/82/93/326278293.db2.gz GDNDYMGDWZEINT-ZYHUDNBSSA-N 1 1 368.821 2.128 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000121651699 326354764 /nfs/dbraw/zinc/35/47/64/326354764.db2.gz MCSXWDQWZDCQEN-GOOCMWNKSA-N 1 1 374.441 2.282 20 5 FEBDMO CCC[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000121752976 326363945 /nfs/dbraw/zinc/36/39/45/326363945.db2.gz JNILQCWFNLXDPC-KRWDZBQOSA-N 1 1 351.447 2.406 20 5 FEBDMO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000137262505 326659460 /nfs/dbraw/zinc/65/94/60/326659460.db2.gz IXODGZDCGXEHJB-LBPRGKRZSA-N 1 1 353.806 2.043 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000160317438 326961412 /nfs/dbraw/zinc/96/14/12/326961412.db2.gz ADHYJEPNMRSPRO-HNNXBMFYSA-N 1 1 363.439 2.218 20 5 FEBDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000161609918 327004304 /nfs/dbraw/zinc/00/43/04/327004304.db2.gz KXHFURQZUSXFJE-CQSZACIVSA-N 1 1 373.413 2.150 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C4OCCO4)C3)o2)cc1 ZINC000171377345 327135690 /nfs/dbraw/zinc/13/56/90/327135690.db2.gz QYNINAVCVZQZSQ-CYBMUJFWSA-N 1 1 360.370 2.230 20 5 FEBDMO CCc1n[nH]c(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000172208076 327187177 /nfs/dbraw/zinc/18/71/77/327187177.db2.gz UZAKYAXGIKEXPK-AWEZNQCLSA-N 1 1 357.414 2.275 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[N@H+](C2CC2)CC1 ZINC000172346377 327197099 /nfs/dbraw/zinc/19/70/99/327197099.db2.gz PJAJTTYJIMQKLM-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCN(C2CC2)CC1 ZINC000172346377 327197101 /nfs/dbraw/zinc/19/71/01/327197101.db2.gz PJAJTTYJIMQKLM-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCN(C2CC2)CC1 ZINC000172346377 327197103 /nfs/dbraw/zinc/19/71/03/327197103.db2.gz PJAJTTYJIMQKLM-UHFFFAOYSA-N 1 1 362.430 2.102 20 5 FEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000172722476 327215428 /nfs/dbraw/zinc/21/54/28/327215428.db2.gz TZDIFFQEZCTCIT-SFHVURJKSA-N 1 1 355.394 2.112 20 5 FEBDMO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000172722476 327215430 /nfs/dbraw/zinc/21/54/30/327215430.db2.gz TZDIFFQEZCTCIT-SFHVURJKSA-N 1 1 355.394 2.112 20 5 FEBDMO O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000172802589 327219992 /nfs/dbraw/zinc/21/99/92/327219992.db2.gz HEVXMBLCCNGYQY-CYBMUJFWSA-N 1 1 352.822 2.357 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000173256113 327244293 /nfs/dbraw/zinc/24/42/93/327244293.db2.gz AZRWXCJAUOXMSN-UKRRQHHQSA-N 1 1 355.460 2.254 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173267795 327245407 /nfs/dbraw/zinc/24/54/07/327245407.db2.gz BEYHNCIJTFMTJK-TZMCWYRMSA-N 1 1 355.460 2.260 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000174020393 327302033 /nfs/dbraw/zinc/30/20/33/327302033.db2.gz QQLQBPXASCGNPI-NSHDSACASA-N 1 1 361.851 2.211 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000174021639 327302146 /nfs/dbraw/zinc/30/21/46/327302146.db2.gz KOUARBATTAQNFI-CYBMUJFWSA-N 1 1 355.460 2.120 20 5 FEBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000174027687 327302448 /nfs/dbraw/zinc/30/24/48/327302448.db2.gz FEEFKGJUPBBJKR-LLVKDONJSA-N 1 1 361.851 2.211 20 5 FEBDMO O=C1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CN1CCOc1ccccc1 ZINC000174466935 327328465 /nfs/dbraw/zinc/32/84/65/327328465.db2.gz TXUQQHBOQANDLV-CQSZACIVSA-N 1 1 361.423 2.426 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000175004375 327367276 /nfs/dbraw/zinc/36/72/76/327367276.db2.gz YVARICPIZZZAMI-LSDHHAIUSA-N 1 1 361.398 2.080 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000175393900 327390591 /nfs/dbraw/zinc/39/05/91/327390591.db2.gz QSOYFHYKEJERLU-LBPRGKRZSA-N 1 1 361.851 2.353 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C1 ZINC000264583929 329037819 /nfs/dbraw/zinc/03/78/19/329037819.db2.gz WGZDVUSTTFDHSZ-LBPRGKRZSA-N 1 1 350.375 2.191 20 5 FEBDMO Cc1c(C(=O)N2CC[NH+](C3CCC3)CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000264988909 329081320 /nfs/dbraw/zinc/08/13/20/329081320.db2.gz QURQNHMADQUASE-UHFFFAOYSA-N 1 1 362.386 2.430 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265558203 329138705 /nfs/dbraw/zinc/13/87/05/329138705.db2.gz RSRUVJLWFUZVML-ZDUSSCGKSA-N 1 1 353.854 2.250 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000266340045 329213062 /nfs/dbraw/zinc/21/30/62/329213062.db2.gz AGVTWAMXNXOSCY-LBPRGKRZSA-N 1 1 351.403 2.026 20 5 FEBDMO C[C@H](Nc1ccc([N+](=O)[O-])cc1N1CCOC1=O)[C@H](C)[NH+]1CCOCC1 ZINC000266365433 329215399 /nfs/dbraw/zinc/21/53/99/329215399.db2.gz KZCYNMPXPXDXEX-STQMWFEESA-N 1 1 364.402 2.073 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(OC)c(OC)c([N+](=O)[O-])c1 ZINC000266566480 329236735 /nfs/dbraw/zinc/23/67/35/329236735.db2.gz RLQDHQZYPFLRAC-UONOGXRCSA-N 1 1 363.414 2.311 20 5 FEBDMO CCNC(=O)C(C)(C)C[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000272514076 329787189 /nfs/dbraw/zinc/78/71/89/329787189.db2.gz JSGVZSRGGVESQR-HNNXBMFYSA-N 1 1 359.430 2.170 20 5 FEBDMO CCc1ccc([C@@H](COC)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000273221911 329846604 /nfs/dbraw/zinc/84/66/04/329846604.db2.gz AYJSOHSLSOGJRT-WMLDXEAASA-N 1 1 364.398 2.467 20 5 FEBDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)n1 ZINC000273266138 329850544 /nfs/dbraw/zinc/85/05/44/329850544.db2.gz FLWQPPBWDJBYEI-LLVKDONJSA-N 1 1 358.358 2.201 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000364821024 330208016 /nfs/dbraw/zinc/20/80/16/330208016.db2.gz SLDRKOSWJANOFC-YJBOKZPZSA-N 1 1 371.441 2.160 20 5 FEBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000554077408 674302774 /nfs/dbraw/zinc/30/27/74/674302774.db2.gz NAVSXKVPNKEGTH-LLVKDONJSA-N 1 1 359.835 2.105 20 5 FEBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000554077408 674302775 /nfs/dbraw/zinc/30/27/75/674302775.db2.gz NAVSXKVPNKEGTH-LLVKDONJSA-N 1 1 359.835 2.105 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000555751244 674374936 /nfs/dbraw/zinc/37/49/36/674374936.db2.gz RPFXIHPNFXLSHD-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000555751244 674374939 /nfs/dbraw/zinc/37/49/39/674374939.db2.gz RPFXIHPNFXLSHD-QWHCGFSZSA-N 1 1 351.403 2.025 20 5 FEBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000156680641 545648089 /nfs/dbraw/zinc/64/80/89/545648089.db2.gz DMXQGUXKIJZCAJ-HNNXBMFYSA-N 1 1 362.430 2.032 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)CC[N@H+]1C ZINC000158423004 545859488 /nfs/dbraw/zinc/85/94/88/545859488.db2.gz LEVCSZOABGJFSX-KGLIPLIRSA-N 1 1 357.414 2.335 20 5 FEBDMO C[N@@H+](CCOc1cccc(Cl)c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159689813 545973639 /nfs/dbraw/zinc/97/36/39/545973639.db2.gz ZYSLYCDYTUYFTL-UHFFFAOYSA-N 1 1 351.790 2.421 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000160514022 546048074 /nfs/dbraw/zinc/04/80/74/546048074.db2.gz GORDHLJBCJGYJH-CABCVRRESA-N 1 1 369.425 2.479 20 5 FEBDMO COC(=O)c1cc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000478726650 561173757 /nfs/dbraw/zinc/17/37/57/561173757.db2.gz USFVDQUIQVHMJL-CHWSQXEVSA-N 1 1 363.414 2.374 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000160788005 546072237 /nfs/dbraw/zinc/07/22/37/546072237.db2.gz SGZJPLCEQRXRTR-KRWDZBQOSA-N 1 1 369.425 2.062 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1)c1ccco1 ZINC000161056624 546095917 /nfs/dbraw/zinc/09/59/17/546095917.db2.gz SKJCJBUPALKLRN-MRXNPFEDSA-N 1 1 369.381 2.406 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C1 ZINC000170639334 546167840 /nfs/dbraw/zinc/16/78/40/546167840.db2.gz KMMMUIWGZJRRSJ-CQSZACIVSA-N 1 1 362.430 2.248 20 5 FEBDMO CC(C)[N@@H+](C)CCNC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000176464683 546450086 /nfs/dbraw/zinc/45/00/86/546450086.db2.gz VJBADECNIUYICS-UHFFFAOYSA-N 1 1 364.446 2.488 20 5 FEBDMO C[N@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000176916675 546508275 /nfs/dbraw/zinc/50/82/75/546508275.db2.gz CGCDSTCAMFHNQU-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000176916675 546508278 /nfs/dbraw/zinc/50/82/78/546508278.db2.gz CGCDSTCAMFHNQU-UHFFFAOYSA-N 1 1 367.402 2.144 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1OC ZINC000177205910 546570438 /nfs/dbraw/zinc/57/04/38/546570438.db2.gz DVBYBEWPPVXCAJ-NEPJUHHUSA-N 1 1 363.414 2.357 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000481056118 561223877 /nfs/dbraw/zinc/22/38/77/561223877.db2.gz IKVNJJWVTPXUKX-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO Cc1cccc(NCCNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])[nH+]1 ZINC000481080602 561224867 /nfs/dbraw/zinc/22/48/67/561224867.db2.gz ZSFWNRIZMIYCQW-UHFFFAOYSA-N 1 1 364.427 2.305 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000481130069 561225968 /nfs/dbraw/zinc/22/59/68/561225968.db2.gz YUCILWSOJTYMBR-OLZOCXBDSA-N 1 1 362.430 2.158 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000481331684 561230902 /nfs/dbraw/zinc/23/09/02/561230902.db2.gz QPIVAPGAPPXNGB-MRXNPFEDSA-N 1 1 351.403 2.289 20 5 FEBDMO COCCO[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000179356902 546938804 /nfs/dbraw/zinc/93/88/04/546938804.db2.gz CGMGWETXENPRIE-OAHLLOKOSA-N 1 1 362.386 2.272 20 5 FEBDMO COCCO[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000179356902 546938807 /nfs/dbraw/zinc/93/88/07/546938807.db2.gz CGMGWETXENPRIE-OAHLLOKOSA-N 1 1 362.386 2.272 20 5 FEBDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179642796 546990272 /nfs/dbraw/zinc/99/02/72/546990272.db2.gz MMABZEHZORIZBZ-HNNXBMFYSA-N 1 1 374.416 2.274 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000483033052 561265394 /nfs/dbraw/zinc/26/53/94/561265394.db2.gz RJTQTDNRULCUPY-GUYCJALGSA-N 1 1 363.414 2.192 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000483058183 561266222 /nfs/dbraw/zinc/26/62/22/561266222.db2.gz ZBMXPSARRDIXCJ-CXAGYDPISA-N 1 1 363.414 2.192 20 5 FEBDMO CNC(=O)C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000483403867 561276295 /nfs/dbraw/zinc/27/62/95/561276295.db2.gz IKTPKMZNHZMRCQ-HNNXBMFYSA-N 1 1 356.382 2.000 20 5 FEBDMO CO[C@]1(C)C[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1(C)C ZINC000181934895 547409005 /nfs/dbraw/zinc/40/90/05/547409005.db2.gz PJQJEJLIHGQGQX-QANKJYHBSA-N 1 1 352.431 2.470 20 5 FEBDMO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000484637559 561301835 /nfs/dbraw/zinc/30/18/35/561301835.db2.gz VTSUCKGWXLWNAK-NILFDRSVSA-N 1 1 362.386 2.489 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000484880122 561307661 /nfs/dbraw/zinc/30/76/61/561307661.db2.gz WZKDAQLBIDVLSG-XHSDSOJGSA-N 1 1 352.431 2.472 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000184718158 547869324 /nfs/dbraw/zinc/86/93/24/547869324.db2.gz XVVXRFZTKQOGHM-HNNXBMFYSA-N 1 1 369.487 2.382 20 5 FEBDMO Cc1cc[nH+]c(N2CCN(C(=O)NCc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000485156802 561313966 /nfs/dbraw/zinc/31/39/66/561313966.db2.gz DHEDOQWHQCITLG-UHFFFAOYSA-N 1 1 355.398 2.330 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3CCC(Cn4cncn4)CC3)o2)cc1 ZINC000186258434 548107556 /nfs/dbraw/zinc/10/75/56/548107556.db2.gz ZFVWUTCZLOAJGU-UHFFFAOYSA-N 1 1 369.385 2.149 20 5 FEBDMO CSc1ccc(C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000186934239 548221976 /nfs/dbraw/zinc/22/19/76/548221976.db2.gz GMIFSQDCUBPWTM-LBPRGKRZSA-N 1 1 367.471 2.234 20 5 FEBDMO Cc1cc(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000193551564 548389592 /nfs/dbraw/zinc/38/95/92/548389592.db2.gz LWPQEDBYKKUVHV-OAHLLOKOSA-N 1 1 350.419 2.382 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000193933641 548408873 /nfs/dbraw/zinc/40/88/73/548408873.db2.gz WFVRYKXOSLSKHA-UHFFFAOYSA-N 1 1 368.393 2.137 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000193933641 548408878 /nfs/dbraw/zinc/40/88/78/548408878.db2.gz WFVRYKXOSLSKHA-UHFFFAOYSA-N 1 1 368.393 2.137 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000486488172 561348794 /nfs/dbraw/zinc/34/87/94/561348794.db2.gz NNUBMDTZFVRLKB-CYBMUJFWSA-N 1 1 373.413 2.334 20 5 FEBDMO Nc1c(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000194746413 548525683 /nfs/dbraw/zinc/52/56/83/548525683.db2.gz JQPYROALLMUKSC-HNNXBMFYSA-N 1 1 354.410 2.429 20 5 FEBDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000194876653 548544474 /nfs/dbraw/zinc/54/44/74/548544474.db2.gz ARNCIIRIKGYLQX-GOSISDBHSA-N 1 1 363.414 2.445 20 5 FEBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000194876653 548544478 /nfs/dbraw/zinc/54/44/78/548544478.db2.gz ARNCIIRIKGYLQX-GOSISDBHSA-N 1 1 363.414 2.445 20 5 FEBDMO O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])N[C@H]1CC[N@H+](C2CC2)C1 ZINC000487819232 561376669 /nfs/dbraw/zinc/37/66/69/561376669.db2.gz PMDAWOQOAURSRY-ZDUSSCGKSA-N 1 1 352.822 2.327 20 5 FEBDMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000245601239 548954496 /nfs/dbraw/zinc/95/44/96/548954496.db2.gz VRJWSNUPQXQUFR-JKSUJKDBSA-N 1 1 373.384 2.099 20 5 FEBDMO O=C(NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000245896822 549013531 /nfs/dbraw/zinc/01/35/31/549013531.db2.gz PIQFIJPDFBUBGT-JKSUJKDBSA-N 1 1 373.384 2.099 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000246085927 549049056 /nfs/dbraw/zinc/04/90/56/549049056.db2.gz GGFXVZRTQNGLRK-IUODEOHRSA-N 1 1 355.460 2.172 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000246118453 549056076 /nfs/dbraw/zinc/05/60/76/549056076.db2.gz IWENRHNRMHNGFS-CMPLNLGQSA-N 1 1 361.851 2.209 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246204043 549077338 /nfs/dbraw/zinc/07/73/38/549077338.db2.gz DWGXMXVNOVZCBK-BLLLJJGKSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c([N+](=O)[O-])c1 ZINC000246204043 549077339 /nfs/dbraw/zinc/07/73/39/549077339.db2.gz DWGXMXVNOVZCBK-BLLLJJGKSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000246219935 549082007 /nfs/dbraw/zinc/08/20/07/549082007.db2.gz PUSHEBDUYNYXON-GXTWGEPZSA-N 1 1 355.460 2.315 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246460101 549138152 /nfs/dbraw/zinc/13/81/52/549138152.db2.gz JDXYOXVWOWMLEP-SLEUVZQESA-N 1 1 351.403 2.023 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000246478368 549141355 /nfs/dbraw/zinc/14/13/55/549141355.db2.gz WOHPZSBDZABNIV-RYUDHWBXSA-N 1 1 373.862 2.496 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000246733797 549199187 /nfs/dbraw/zinc/19/91/87/549199187.db2.gz OVVDSQWRNRZLHM-ZNMIVQPWSA-N 1 1 369.487 2.381 20 5 FEBDMO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248414366 549433159 /nfs/dbraw/zinc/43/31/59/549433159.db2.gz GVYGBZMQNNNQQL-HIFRSBDPSA-N 1 1 350.419 2.454 20 5 FEBDMO CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248414366 549433161 /nfs/dbraw/zinc/43/31/61/549433161.db2.gz GVYGBZMQNNNQQL-HIFRSBDPSA-N 1 1 350.419 2.454 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CCO[C@@H]1C ZINC000489472062 561412386 /nfs/dbraw/zinc/41/23/86/561412386.db2.gz BVCZWGZEUTYOAJ-PBHICJAKSA-N 1 1 365.430 2.358 20 5 FEBDMO CC(C)C[C@@]1(CO)CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249065809 549545326 /nfs/dbraw/zinc/54/53/26/549545326.db2.gz KDTRXIGZLUGBJS-SJLPKXTDSA-N 1 1 352.431 2.208 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000249203296 549568406 /nfs/dbraw/zinc/56/84/06/549568406.db2.gz ANLXBUBTRLRTAK-CABCVRRESA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@H](O)CN1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000249203296 549568410 /nfs/dbraw/zinc/56/84/10/549568410.db2.gz ANLXBUBTRLRTAK-CABCVRRESA-N 1 1 374.441 2.179 20 5 FEBDMO C[C@H](O)CN1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C)C1 ZINC000249203296 549568412 /nfs/dbraw/zinc/56/84/12/549568412.db2.gz ANLXBUBTRLRTAK-CABCVRRESA-N 1 1 374.441 2.179 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251683964 549651391 /nfs/dbraw/zinc/65/13/91/549651391.db2.gz JCWAGBWQBWIZIU-MLGOLLRUSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000251849688 549655901 /nfs/dbraw/zinc/65/59/01/549655901.db2.gz NKMFZKKUCSPQEG-MLGOLLRUSA-N 1 1 351.403 2.289 20 5 FEBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC000261973270 549775384 /nfs/dbraw/zinc/77/53/84/549775384.db2.gz NKNQFKBCFSYZKS-INIZCTEOSA-N 1 1 356.382 2.094 20 5 FEBDMO COCC[N@@H+](C)CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000264154459 549985392 /nfs/dbraw/zinc/98/53/92/549985392.db2.gz ZYWQBWYFYIWYSO-UHFFFAOYSA-N 1 1 352.435 2.093 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)COc3ccc([N+](=O)[O-])c4cccnc34)[C@@H]2C1 ZINC000493537553 561456652 /nfs/dbraw/zinc/45/66/52/561456652.db2.gz WDELKDZAYUQQNC-XJKSGUPXSA-N 1 1 370.409 2.074 20 5 FEBDMO COc1cc(C(=O)N2CC[N@H+](C)CC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000270870397 550315840 /nfs/dbraw/zinc/31/58/40/550315840.db2.gz BRROPEVFQJHUIS-UHFFFAOYSA-N 1 1 373.356 2.371 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)CC2(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000270870397 550315841 /nfs/dbraw/zinc/31/58/41/550315841.db2.gz BRROPEVFQJHUIS-UHFFFAOYSA-N 1 1 373.356 2.371 20 5 FEBDMO CN(CC[C@H]1CCCC[N@@H+]1C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271460019 550377147 /nfs/dbraw/zinc/37/71/47/550377147.db2.gz YOOVSGPHGNIMMF-LLVKDONJSA-N 1 1 361.489 2.370 20 5 FEBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000271460019 550377149 /nfs/dbraw/zinc/37/71/49/550377149.db2.gz YOOVSGPHGNIMMF-LLVKDONJSA-N 1 1 361.489 2.370 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC1=CC[N@@H+](C)CC1 ZINC000272072540 550420529 /nfs/dbraw/zinc/42/05/29/550420529.db2.gz CIHVLFMVINENCC-UHFFFAOYSA-N 1 1 359.835 2.097 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc4nsnc4c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000272287617 550434627 /nfs/dbraw/zinc/43/46/27/550434627.db2.gz UYMDHVZCULTBQV-MFKMUULPSA-N 1 1 361.427 2.156 20 5 FEBDMO O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](CCc2cccs2)CC1 ZINC000272743477 550468172 /nfs/dbraw/zinc/46/81/72/550468172.db2.gz RGHBTRHWIXCKFE-UHFFFAOYSA-N 1 1 361.427 2.444 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000274463533 550538983 /nfs/dbraw/zinc/53/89/83/550538983.db2.gz KGPRSMSETCZYRT-LBPRGKRZSA-N 1 1 358.398 2.451 20 5 FEBDMO COc1cc(CNCCC[N@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000277701415 550703504 /nfs/dbraw/zinc/70/35/04/550703504.db2.gz IBJILPPEYITTIE-AWEZNQCLSA-N 1 1 367.446 2.203 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cnc(N4CCOCC4)s3)nc2c1 ZINC000278562630 550799400 /nfs/dbraw/zinc/79/94/00/550799400.db2.gz AYBYBPWEIGBBKR-UHFFFAOYSA-N 1 1 374.426 2.054 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799870 550823533 /nfs/dbraw/zinc/82/35/33/550823533.db2.gz XOQSTOYLTMVSHF-BLLLJJGKSA-N 1 1 372.429 2.097 20 5 FEBDMO CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000495230890 561485158 /nfs/dbraw/zinc/48/51/58/561485158.db2.gz SJGKRNHBFVUAKU-OAHLLOKOSA-N 1 1 362.430 2.175 20 5 FEBDMO CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000495230890 561485159 /nfs/dbraw/zinc/48/51/59/561485159.db2.gz SJGKRNHBFVUAKU-OAHLLOKOSA-N 1 1 362.430 2.175 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])n1C ZINC000279278971 550872632 /nfs/dbraw/zinc/87/26/32/550872632.db2.gz LINNSSKVETXRMN-UHFFFAOYSA-N 1 1 369.784 2.046 20 5 FEBDMO CC(=O)N1CCC[C@H](C[NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000279617127 550908866 /nfs/dbraw/zinc/90/88/66/550908866.db2.gz AJOYDNSBBFRERQ-CRAIPNDOSA-N 1 1 371.441 2.266 20 5 FEBDMO C[C@@H]1C[C@H](CCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000495456385 561488412 /nfs/dbraw/zinc/48/84/12/561488412.db2.gz AJVSFHUEHLRWRW-HIFRSBDPSA-N 1 1 357.414 2.348 20 5 FEBDMO C[C@@H]1C[C@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@@H+]1Cc1ccccc1 ZINC000495456385 561488413 /nfs/dbraw/zinc/48/84/13/561488413.db2.gz AJVSFHUEHLRWRW-HIFRSBDPSA-N 1 1 357.414 2.348 20 5 FEBDMO C[C@@H]1C[C@H](CCNC(=O)c2n[nH]cc2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000495456385 561488414 /nfs/dbraw/zinc/48/84/14/561488414.db2.gz AJVSFHUEHLRWRW-HIFRSBDPSA-N 1 1 357.414 2.348 20 5 FEBDMO C[C@H](CN1CCOCC1)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279833411 550933851 /nfs/dbraw/zinc/93/38/51/550933851.db2.gz ZUAQYFTXKHMSGT-CQSZACIVSA-N 1 1 360.414 2.402 20 5 FEBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279833411 550933853 /nfs/dbraw/zinc/93/38/53/550933853.db2.gz ZUAQYFTXKHMSGT-CQSZACIVSA-N 1 1 360.414 2.402 20 5 FEBDMO O=C(NCC[N@H+]1CC=CCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000280382739 550987785 /nfs/dbraw/zinc/98/77/85/550987785.db2.gz ZZNWQPQZNDMSNO-UHFFFAOYSA-N 1 1 372.194 2.488 20 5 FEBDMO O=C(NCC[N@@H+]1CC=CCC1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000280382739 550987787 /nfs/dbraw/zinc/98/77/87/550987787.db2.gz ZZNWQPQZNDMSNO-UHFFFAOYSA-N 1 1 372.194 2.488 20 5 FEBDMO O=[N+]([O-])c1cc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)cs1 ZINC000281837783 551146043 /nfs/dbraw/zinc/14/60/43/551146043.db2.gz AIMWHPZRVKDMOR-UHFFFAOYSA-N 1 1 354.453 2.403 20 5 FEBDMO COc1ccc(C(=O)[N-]C(=O)C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000282381715 551220327 /nfs/dbraw/zinc/22/03/27/551220327.db2.gz GBLSKFVXHLTHGX-UHFFFAOYSA-N 1 1 371.393 2.034 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@H+]2CCOc2cccc([N+](=O)[O-])c2)O1 ZINC000282465681 551233067 /nfs/dbraw/zinc/23/30/67/551233067.db2.gz NIZSYUVDOHATOL-DXEWXGHRSA-N 1 1 364.398 2.157 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)O1 ZINC000282506760 551239126 /nfs/dbraw/zinc/23/91/26/551239126.db2.gz ROCLMOAQJKZRIH-YYQUZTFQSA-N 1 1 364.398 2.157 20 5 FEBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000497801933 561509163 /nfs/dbraw/zinc/50/91/63/561509163.db2.gz DZUDCVXMJGIVTM-DOTOQJQBSA-N 1 1 365.393 2.299 20 5 FEBDMO COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283410921 551361890 /nfs/dbraw/zinc/36/18/90/551361890.db2.gz FJVZEWJOODMZLI-GXTWGEPZSA-N 1 1 353.394 2.097 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498227590 561519392 /nfs/dbraw/zinc/51/93/92/561519392.db2.gz LBQWSPQGOPSQMG-STQMWFEESA-N 1 1 350.419 2.228 20 5 FEBDMO CN1CCO[C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000284417884 551544760 /nfs/dbraw/zinc/54/47/60/551544760.db2.gz RAFGWVVTKBZQCH-UKRRQHHQSA-N 1 1 357.357 2.101 20 5 FEBDMO CN1CCO[C@@H]2CC[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]21 ZINC000284417884 551544762 /nfs/dbraw/zinc/54/47/62/551544762.db2.gz RAFGWVVTKBZQCH-UKRRQHHQSA-N 1 1 357.357 2.101 20 5 FEBDMO COc1ccc(CSCC(=O)NC[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000498638540 561530745 /nfs/dbraw/zinc/53/07/45/561530745.db2.gz MPTYBRPIKHJNFR-CYBMUJFWSA-N 1 1 353.444 2.047 20 5 FEBDMO C[N@H+]1CC[C@H]2OCCN(C(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000285319293 551737169 /nfs/dbraw/zinc/73/71/69/551737169.db2.gz RDMKOXGZWQUQPF-KADIJHKTSA-N 1 1 365.817 2.193 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286704533 551917013 /nfs/dbraw/zinc/91/70/13/551917013.db2.gz WLYAUUZNNPVSOO-OCCSQVGLSA-N 1 1 362.304 2.056 20 5 FEBDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000286704533 551917014 /nfs/dbraw/zinc/91/70/14/551917014.db2.gz WLYAUUZNNPVSOO-OCCSQVGLSA-N 1 1 362.304 2.056 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288325844 552133514 /nfs/dbraw/zinc/13/35/14/552133514.db2.gz IBXQRAABFQXCBO-JTQLQIEISA-N 1 1 373.356 2.371 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000288325844 552133516 /nfs/dbraw/zinc/13/35/16/552133516.db2.gz IBXQRAABFQXCBO-JTQLQIEISA-N 1 1 373.356 2.371 20 5 FEBDMO CCC[C@@]1(CO)CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723520 552200965 /nfs/dbraw/zinc/20/09/65/552200965.db2.gz GALNQQRANQOJQV-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO CCC[C@@]1(CO)CC[N@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288723520 552200966 /nfs/dbraw/zinc/20/09/66/552200966.db2.gz GALNQQRANQOJQV-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000500102474 561566042 /nfs/dbraw/zinc/56/60/42/561566042.db2.gz MZIFSHGXIFOOMQ-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO O=C(CC[N@@H+]1CCC[C@](O)(C(F)(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500143482 561566813 /nfs/dbraw/zinc/56/68/13/561566813.db2.gz YTCJUPKVMRIYJG-CQSZACIVSA-N 1 1 361.320 2.313 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000290515623 552491592 /nfs/dbraw/zinc/49/15/92/552491592.db2.gz QAVHNECNRIKEFA-OAHLLOKOSA-N 1 1 374.397 2.108 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000290670154 552516625 /nfs/dbraw/zinc/51/66/25/552516625.db2.gz SKEIVJQFOFTBTE-CYBMUJFWSA-N 1 1 360.418 2.026 20 5 FEBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000291099837 552586682 /nfs/dbraw/zinc/58/66/82/552586682.db2.gz KJONZBGHQROFEL-DGCLKSJQSA-N 1 1 357.357 2.496 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000291232685 552603830 /nfs/dbraw/zinc/60/38/30/552603830.db2.gz ITTFUMLGCAEUHE-JSGCOSHPSA-N 1 1 362.430 2.037 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000291590312 552640776 /nfs/dbraw/zinc/64/07/76/552640776.db2.gz PWQVGEIKGVRQNT-LBPRGKRZSA-N 1 1 362.434 2.391 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1[nH]ncc1[N+](=O)[O-] ZINC000291891733 552672257 /nfs/dbraw/zinc/67/22/57/552672257.db2.gz ICTLIXRPWHKGKJ-OAHLLOKOSA-N 1 1 357.414 2.350 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000291891733 552672258 /nfs/dbraw/zinc/67/22/58/552672258.db2.gz ICTLIXRPWHKGKJ-OAHLLOKOSA-N 1 1 357.414 2.350 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1n[nH]cc1[N+](=O)[O-] ZINC000291891733 552672259 /nfs/dbraw/zinc/67/22/59/552672259.db2.gz ICTLIXRPWHKGKJ-OAHLLOKOSA-N 1 1 357.414 2.350 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000291984703 552681713 /nfs/dbraw/zinc/68/17/13/552681713.db2.gz ZJDNHJRMHPMQHH-SWLSCSKDSA-N 1 1 357.414 2.273 20 5 FEBDMO C[C@H]1C[C@@H](CCNC(=O)c2c([N+](=O)[O-])cnn2C)C[N@H+]1Cc1ccccc1 ZINC000501477705 561598241 /nfs/dbraw/zinc/59/82/41/561598241.db2.gz UDEHGCRXQBJVQF-GOEBONIOSA-N 1 1 371.441 2.359 20 5 FEBDMO Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CC2)OCCCO3)cccc1[N+](=O)[O-] ZINC000292896799 552769294 /nfs/dbraw/zinc/76/92/94/552769294.db2.gz DIFZJUJFELMZNE-CQSZACIVSA-N 1 1 363.414 2.459 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293496561 552829584 /nfs/dbraw/zinc/82/95/84/552829584.db2.gz ZKLWPHSNMJHHTR-MRXNPFEDSA-N 1 1 373.409 2.077 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293496561 552829585 /nfs/dbraw/zinc/82/95/85/552829585.db2.gz ZKLWPHSNMJHHTR-MRXNPFEDSA-N 1 1 373.409 2.077 20 5 FEBDMO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501778863 561605299 /nfs/dbraw/zinc/60/52/99/561605299.db2.gz WPEISYRFHCLSHM-DLBZAZTESA-N 1 1 370.453 2.351 20 5 FEBDMO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+]1CCN(c2ccccc2)CC1 ZINC000294469539 552908736 /nfs/dbraw/zinc/90/87/36/552908736.db2.gz MAZFGTICEKZBBK-INIZCTEOSA-N 1 1 362.474 2.149 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000294997832 552950022 /nfs/dbraw/zinc/95/00/22/552950022.db2.gz OYQJDEHNTAHIGS-UHFFFAOYSA-N 1 1 363.336 2.312 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])cc1F ZINC000295116395 552960371 /nfs/dbraw/zinc/96/03/71/552960371.db2.gz LWNYQDFLIKANKF-GFCCVEGCSA-N 1 1 353.394 2.450 20 5 FEBDMO C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CC[N@H+](C2CC2)C1 ZINC000295277403 552980656 /nfs/dbraw/zinc/98/06/56/552980656.db2.gz HLBOIZZRPZWXKY-LBPRGKRZSA-N 1 1 351.378 2.055 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](O)CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000296145219 553111911 /nfs/dbraw/zinc/11/19/11/553111911.db2.gz SAHIQPRRSNFVGO-CYBMUJFWSA-N 1 1 365.430 2.415 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)C[C@H]1C ZINC000296924514 553230454 /nfs/dbraw/zinc/23/04/54/553230454.db2.gz ZHXFPBYBDUZPGX-GFCCVEGCSA-N 1 1 354.382 2.227 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)C[C@H]1C ZINC000296924514 553230457 /nfs/dbraw/zinc/23/04/57/553230457.db2.gz ZHXFPBYBDUZPGX-GFCCVEGCSA-N 1 1 354.382 2.227 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C(C)C)[C@H]2CCOC2)c([N+](=O)[O-])c1 ZINC000298532078 553436959 /nfs/dbraw/zinc/43/69/59/553436959.db2.gz WMXREGSZQDKGDV-ZDUSSCGKSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](CC2CCC2)[C@H](C)CO)c([N+](=O)[O-])c1 ZINC000298633936 553452362 /nfs/dbraw/zinc/45/23/62/553452362.db2.gz WCTWTLFABAKGRJ-CYBMUJFWSA-N 1 1 365.430 2.415 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1cccnc1 ZINC000298815423 553476296 /nfs/dbraw/zinc/47/62/96/553476296.db2.gz AYYBZTCMSFXVLB-UHFFFAOYSA-N 1 1 358.398 2.467 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CC[NH+](C)CC1 ZINC000299075577 553512137 /nfs/dbraw/zinc/51/21/37/553512137.db2.gz XJCWNZATGQQEFO-QGZVFWFLSA-N 1 1 373.457 2.078 20 5 FEBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301669710 553670665 /nfs/dbraw/zinc/67/06/65/553670665.db2.gz PXJTYPDCVISKJG-GDBMZVCRSA-N 1 1 372.429 2.059 20 5 FEBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301669710 553670667 /nfs/dbraw/zinc/67/06/67/553670667.db2.gz PXJTYPDCVISKJG-GDBMZVCRSA-N 1 1 372.429 2.059 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000302009817 553697923 /nfs/dbraw/zinc/69/79/23/553697923.db2.gz VVGPJABDWCNNHL-HIFRSBDPSA-N 1 1 367.413 2.355 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302059571 553701160 /nfs/dbraw/zinc/70/11/60/553701160.db2.gz BCPPOONAHBZHFK-XQQFMLRXSA-N 1 1 370.475 2.021 20 5 FEBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000507594341 561734606 /nfs/dbraw/zinc/73/46/06/561734606.db2.gz ABRPZGYPHLPKAD-TZMCWYRMSA-N 1 1 356.382 2.261 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332206995 554401230 /nfs/dbraw/zinc/40/12/30/554401230.db2.gz FECNJJFHGXSKAY-CQSZACIVSA-N 1 1 355.460 2.316 20 5 FEBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C1CCN(C)CC1 ZINC000332383324 554435766 /nfs/dbraw/zinc/43/57/66/554435766.db2.gz HTTKZOSWXNAUJT-AWEZNQCLSA-N 1 1 350.438 2.334 20 5 FEBDMO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)CC[N@H+]1C1CCN(C)CC1 ZINC000332383324 554435769 /nfs/dbraw/zinc/43/57/69/554435769.db2.gz HTTKZOSWXNAUJT-AWEZNQCLSA-N 1 1 350.438 2.334 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000332479642 554453458 /nfs/dbraw/zinc/45/34/58/554453458.db2.gz XXOKTYGQVAWVTQ-UHFFFAOYSA-N 1 1 350.400 2.126 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000332592787 554478774 /nfs/dbraw/zinc/47/87/74/554478774.db2.gz NYLYZRINDQYGQD-GJZGRUSLSA-N 1 1 367.471 2.459 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000510980379 561852917 /nfs/dbraw/zinc/85/29/17/561852917.db2.gz FGPPXOWAQGWCIY-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(COc3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000350350420 554781816 /nfs/dbraw/zinc/78/18/16/554781816.db2.gz ILIFYXJQOCWFMP-WMLDXEAASA-N 1 1 360.370 2.483 20 5 FEBDMO C[C@]12CCC[N@H+]1C[C@@H](c1noc(COc3cccc([N+](=O)[O-])c3)n1)OC2 ZINC000350350420 554781817 /nfs/dbraw/zinc/78/18/17/554781817.db2.gz ILIFYXJQOCWFMP-WMLDXEAASA-N 1 1 360.370 2.483 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000361297306 554915179 /nfs/dbraw/zinc/91/51/79/554915179.db2.gz DZWMXBRIFZZNOH-OAHLLOKOSA-N 1 1 363.462 2.294 20 5 FEBDMO COCc1nccc([C@@H]2CCC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000362781596 554987942 /nfs/dbraw/zinc/98/79/42/554987942.db2.gz NRCKLMNESUFLSO-QAPCUYQASA-N 1 1 372.425 2.444 20 5 FEBDMO COc1ccccc1C[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000362901196 554997340 /nfs/dbraw/zinc/99/73/40/554997340.db2.gz JEMHPXZOVVLOSW-CRAIPNDOSA-N 1 1 374.441 2.116 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2[C@H]3CCCC[N@@H+]3C[C@H]2C1 ZINC000363558483 555136452 /nfs/dbraw/zinc/13/64/52/555136452.db2.gz SAKFQFUUDMHFTR-CWRNSKLLSA-N 1 1 365.455 2.008 20 5 FEBDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C2)cn1 ZINC000363590591 555143158 /nfs/dbraw/zinc/14/31/58/555143158.db2.gz VPASWBQCTKKTMQ-CYBMUJFWSA-N 1 1 368.397 2.443 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000363873343 555203917 /nfs/dbraw/zinc/20/39/17/555203917.db2.gz CIMISDWFAHGHTE-GUYCJALGSA-N 1 1 369.425 2.212 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000512135221 561893701 /nfs/dbraw/zinc/89/37/01/561893701.db2.gz GYJZREKOWVWQLR-QWHCGFSZSA-N 1 1 367.471 2.498 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000512135221 561893702 /nfs/dbraw/zinc/89/37/02/561893702.db2.gz GYJZREKOWVWQLR-QWHCGFSZSA-N 1 1 367.471 2.498 20 5 FEBDMO COCC[C@H]1CCCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000364138651 555257099 /nfs/dbraw/zinc/25/70/99/555257099.db2.gz KIWLXWSLAPYLJM-WBVHZDCISA-N 1 1 352.431 2.473 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCOC3(CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000364259799 555280060 /nfs/dbraw/zinc/28/00/60/555280060.db2.gz IFKFUQDOQHDCMQ-UHFFFAOYSA-N 1 1 366.414 2.254 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000364556374 555337660 /nfs/dbraw/zinc/33/76/60/555337660.db2.gz JBMBAKZYUVJMFT-PVAVHDDUSA-N 1 1 361.442 2.143 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](COC(F)F)C2)c([N+](=O)[O-])c1 ZINC000512806452 561916156 /nfs/dbraw/zinc/91/61/56/561916156.db2.gz WCHZPEJJKFYCIY-LLVKDONJSA-N 1 1 373.356 2.493 20 5 FEBDMO O=C1[C@H]([N@@H+]2CC[C@@H](COC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000512816048 561916662 /nfs/dbraw/zinc/91/66/62/561916662.db2.gz FKTAXQRNEAYRRZ-BXUZGUMPSA-N 1 1 355.341 2.261 20 5 FEBDMO O=C1[C@H]([N@H+]2CC[C@@H](COC(F)F)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000512816048 561916663 /nfs/dbraw/zinc/91/66/63/561916663.db2.gz FKTAXQRNEAYRRZ-BXUZGUMPSA-N 1 1 355.341 2.261 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000365240648 555520054 /nfs/dbraw/zinc/52/00/54/555520054.db2.gz JCXYXLJZGQOOEN-UHFFFAOYSA-N 1 1 358.398 2.432 20 5 FEBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](CCOCC(F)(F)C(F)F)C2)c1 ZINC000365286291 555532647 /nfs/dbraw/zinc/53/26/47/555532647.db2.gz CTPDEFOOBWUZRT-JTQLQIEISA-N 1 1 354.304 2.345 20 5 FEBDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366074747 555743668 /nfs/dbraw/zinc/74/36/68/555743668.db2.gz UGBNMYONQFYFOX-QAPCUYQASA-N 1 1 360.414 2.214 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CCCO[C@H]3CCCCO3)C2)nc1 ZINC000514082740 561960025 /nfs/dbraw/zinc/96/00/25/561960025.db2.gz JJHKVFXSVKODIZ-PBHICJAKSA-N 1 1 350.419 2.409 20 5 FEBDMO CC(=O)c1cc(N2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437465 556048518 /nfs/dbraw/zinc/04/85/18/556048518.db2.gz WMZJWYIWJSJYHU-KBXCAEBGSA-N 1 1 360.458 2.260 20 5 FEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000515190300 562000041 /nfs/dbraw/zinc/00/00/41/562000041.db2.gz QPHJIFVBRVTYBI-UHFFFAOYSA-N 1 1 360.389 2.421 20 5 FEBDMO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000515190300 562000042 /nfs/dbraw/zinc/00/00/42/562000042.db2.gz QPHJIFVBRVTYBI-UHFFFAOYSA-N 1 1 360.389 2.421 20 5 FEBDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000368662682 556378083 /nfs/dbraw/zinc/37/80/83/556378083.db2.gz JZSYPRCXTNZOPP-ZWKOTPCHSA-N 1 1 374.441 2.399 20 5 FEBDMO CC[C@H]1CCCC[N@@H+]1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467798 562011575 /nfs/dbraw/zinc/01/15/75/562011575.db2.gz OXGDXPYGAJGNAZ-JKSUJKDBSA-N 1 1 351.447 2.189 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000515467798 562011576 /nfs/dbraw/zinc/01/15/76/562011576.db2.gz OXGDXPYGAJGNAZ-JKSUJKDBSA-N 1 1 351.447 2.189 20 5 FEBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000515758125 562021128 /nfs/dbraw/zinc/02/11/28/562021128.db2.gz BMQKLKLNPKQYQD-BETUJISGSA-N 1 1 373.450 2.380 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000369062917 556493656 /nfs/dbraw/zinc/49/36/56/556493656.db2.gz IQAHNRGWVFTGFI-HNNXBMFYSA-N 1 1 374.441 2.222 20 5 FEBDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000369229929 556542445 /nfs/dbraw/zinc/54/24/45/556542445.db2.gz UJCRFVJGPITGHD-SJLPKXTDSA-N 1 1 360.414 2.295 20 5 FEBDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000369355670 556578250 /nfs/dbraw/zinc/57/82/50/556578250.db2.gz YHSCFIAVIBZIQP-ZDUSSCGKSA-N 1 1 359.386 2.493 20 5 FEBDMO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000369818463 556703611 /nfs/dbraw/zinc/70/36/11/556703611.db2.gz HBCBTRYYMLDKGO-YJBOKZPZSA-N 1 1 371.441 2.450 20 5 FEBDMO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000516617687 562050787 /nfs/dbraw/zinc/05/07/87/562050787.db2.gz YDWUATRAYNHZDO-AWEZNQCLSA-N 1 1 368.459 2.065 20 5 FEBDMO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(CCN3CCOCC3)CC2)c1 ZINC000516788801 562058257 /nfs/dbraw/zinc/05/82/57/562058257.db2.gz OZLJTMPLDZXTJL-UHFFFAOYSA-N 1 1 363.458 2.408 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370840496 556986679 /nfs/dbraw/zinc/98/66/79/556986679.db2.gz VXYUXIHZPJDJOK-QGZVFWFLSA-N 1 1 360.458 2.144 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370840496 556986682 /nfs/dbraw/zinc/98/66/82/556986682.db2.gz VXYUXIHZPJDJOK-QGZVFWFLSA-N 1 1 360.458 2.144 20 5 FEBDMO COc1ccc(CC(=O)Nc2c[nH+]ccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000517646732 562094448 /nfs/dbraw/zinc/09/44/48/562094448.db2.gz ITVYCGIIKVBDTA-UHFFFAOYSA-N 1 1 353.338 2.365 20 5 FEBDMO O=C(c1cc2nsnc2c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371533081 557212542 /nfs/dbraw/zinc/21/25/42/557212542.db2.gz DDBSQRBRMYHZLZ-OBJOEFQTSA-N 1 1 373.438 2.156 20 5 FEBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000517415104 562089669 /nfs/dbraw/zinc/08/96/69/562089669.db2.gz NILMYAQQYAOCFN-OKILXGFUSA-N 1 1 355.460 2.277 20 5 FEBDMO Cc1nn(C)c(N2CCC[N@@H+](Cc3cnn(C(C)C)c3)CC2)c1[N+](=O)[O-] ZINC000371613943 557240111 /nfs/dbraw/zinc/24/01/11/557240111.db2.gz XLKIXFUFYGTTOB-UHFFFAOYSA-N 1 1 361.450 2.126 20 5 FEBDMO Cc1nn(C)c(N2CCC[N@H+](Cc3cnn(C(C)C)c3)CC2)c1[N+](=O)[O-] ZINC000371613943 557240113 /nfs/dbraw/zinc/24/01/13/557240113.db2.gz XLKIXFUFYGTTOB-UHFFFAOYSA-N 1 1 361.450 2.126 20 5 FEBDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CC1[N+](=O)[O-] ZINC000372107389 557381412 /nfs/dbraw/zinc/38/14/12/557381412.db2.gz IXTSWLUWUVQDBV-IXDOHACOSA-N 1 1 369.425 2.242 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000372157256 557394472 /nfs/dbraw/zinc/39/44/72/557394472.db2.gz RKIIKPKCQNPLNN-MJBXVCDLSA-N 1 1 363.414 2.289 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)cc3F)C2)c1 ZINC000372280740 557428363 /nfs/dbraw/zinc/42/83/63/557428363.db2.gz FWBWFTLMFJJAAZ-MLGOLLRUSA-N 1 1 352.341 2.440 20 5 FEBDMO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328933 557441030 /nfs/dbraw/zinc/44/10/30/557441030.db2.gz DJVXFYLMTQFEPT-LSDHHAIUSA-N 1 1 351.451 2.321 20 5 FEBDMO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372328933 557441033 /nfs/dbraw/zinc/44/10/33/557441033.db2.gz DJVXFYLMTQFEPT-LSDHHAIUSA-N 1 1 351.451 2.321 20 5 FEBDMO Nc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1[N+](=O)[O-] ZINC000372593554 557514870 /nfs/dbraw/zinc/51/48/70/557514870.db2.gz WPKQSKCLDAHYEJ-HWWDLCQESA-N 1 1 352.394 2.037 20 5 FEBDMO CC(C)OC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000372908191 557586251 /nfs/dbraw/zinc/58/62/51/557586251.db2.gz YVBRMBNXXIELEE-AWEZNQCLSA-N 1 1 369.393 2.188 20 5 FEBDMO CC(C)OC[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCO1 ZINC000372908191 557586252 /nfs/dbraw/zinc/58/62/52/557586252.db2.gz YVBRMBNXXIELEE-AWEZNQCLSA-N 1 1 369.393 2.188 20 5 FEBDMO COC(=O)[C@@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCC2 ZINC000373184175 557645744 /nfs/dbraw/zinc/64/57/44/557645744.db2.gz VJQCRLDAMHVGME-AWEZNQCLSA-N 1 1 372.381 2.420 20 5 FEBDMO COC(=O)[C@@H]1C[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC12CCC2 ZINC000373184175 557645745 /nfs/dbraw/zinc/64/57/45/557645745.db2.gz VJQCRLDAMHVGME-AWEZNQCLSA-N 1 1 372.381 2.420 20 5 FEBDMO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000519892265 562147527 /nfs/dbraw/zinc/14/75/27/562147527.db2.gz VFMXIICNDMMRBH-STQMWFEESA-N 1 1 373.450 2.380 20 5 FEBDMO Cc1nc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)nc2ccccc12 ZINC000521029788 562167831 /nfs/dbraw/zinc/16/78/31/562167831.db2.gz RRHNXZCWMZYULS-HNNXBMFYSA-N 1 1 368.393 2.376 20 5 FEBDMO O=C(C[N@H+]1CC[C@H](C2CCOCC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000374339709 557868026 /nfs/dbraw/zinc/86/80/26/557868026.db2.gz IAMBWVGLPPHKQN-INIZCTEOSA-N 1 1 359.426 2.232 20 5 FEBDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1F ZINC000374527265 557894990 /nfs/dbraw/zinc/89/49/90/557894990.db2.gz PJZIAFDHKUJOCF-SNVBAGLBSA-N 1 1 372.360 2.453 20 5 FEBDMO CC(C)n1nc2c(cc1=O)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000374781466 557930509 /nfs/dbraw/zinc/93/05/09/557930509.db2.gz NUSXKHJHHWMLAV-UHFFFAOYSA-N 1 1 358.398 2.170 20 5 FEBDMO CC(C)n1nc2c(cc1=O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000374781466 557930511 /nfs/dbraw/zinc/93/05/11/557930511.db2.gz NUSXKHJHHWMLAV-UHFFFAOYSA-N 1 1 358.398 2.170 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000375032740 557967526 /nfs/dbraw/zinc/96/75/26/557967526.db2.gz SVHYDYILPMEYNI-ABAIWWIYSA-N 1 1 352.822 2.213 20 5 FEBDMO COc1cc(CN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)c([N+](=O)[O-])cc1F ZINC000375121696 557980765 /nfs/dbraw/zinc/98/07/65/557980765.db2.gz UGDNKJIQEGSXOF-HUUCEWRRSA-N 1 1 367.421 2.164 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375291630 558005008 /nfs/dbraw/zinc/00/50/08/558005008.db2.gz IJGWPCROIWUGOS-SFHVURJKSA-N 1 1 363.414 2.435 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000376468317 558177105 /nfs/dbraw/zinc/17/71/05/558177105.db2.gz JZQASFZADKDXBQ-QAPCUYQASA-N 1 1 350.415 2.370 20 5 FEBDMO COC(=O)c1cc(C)nc(N2CCC[C@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000376486316 558179493 /nfs/dbraw/zinc/17/94/93/558179493.db2.gz RIKOJGNZEAIMGO-LBPRGKRZSA-N 1 1 359.386 2.202 20 5 FEBDMO CN(C(=O)C[NH+]1CCC(c2cnccn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000376996156 558249816 /nfs/dbraw/zinc/24/98/16/558249816.db2.gz FQAKTIFFCRQJNF-UHFFFAOYSA-N 1 1 355.398 2.227 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000522474226 562199047 /nfs/dbraw/zinc/19/90/47/562199047.db2.gz LELXTAJSBUMFQP-CHWSQXEVSA-N 1 1 351.451 2.035 20 5 FEBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000378318643 558528550 /nfs/dbraw/zinc/52/85/50/558528550.db2.gz XPQMALVRPIYQMM-MJGOQNOKSA-N 1 1 357.410 2.345 20 5 FEBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000408086234 558645077 /nfs/dbraw/zinc/64/50/77/558645077.db2.gz HJFFDAILOFVIIG-LSDHHAIUSA-N 1 1 360.458 2.362 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000524869522 562236484 /nfs/dbraw/zinc/23/64/84/562236484.db2.gz LUQSIUPAOHSXPM-STQMWFEESA-N 1 1 371.459 2.097 20 5 FEBDMO Cc1nnc([C@@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000412024278 559003427 /nfs/dbraw/zinc/00/34/27/559003427.db2.gz BOVMWVAPFOUOOV-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@@H]2CC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412024278 559003428 /nfs/dbraw/zinc/00/34/28/559003428.db2.gz BOVMWVAPFOUOOV-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412024278 559003429 /nfs/dbraw/zinc/00/34/29/559003429.db2.gz BOVMWVAPFOUOOV-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@@H]2CC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000412024278 559003430 /nfs/dbraw/zinc/00/34/30/559003430.db2.gz BOVMWVAPFOUOOV-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000412024278 559003431 /nfs/dbraw/zinc/00/34/31/559003431.db2.gz BOVMWVAPFOUOOV-CYBMUJFWSA-N 1 1 358.402 2.148 20 5 FEBDMO CNC(=O)NC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000412056591 559007719 /nfs/dbraw/zinc/00/77/19/559007719.db2.gz UFGFDGHXKHQUBP-UHFFFAOYSA-N 1 1 350.419 2.275 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](CO)[C@H]2C)c([N+](=O)[O-])c1 ZINC000412100070 559013666 /nfs/dbraw/zinc/01/36/66/559013666.db2.gz XDSXHAUBJFCUMX-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1F ZINC000412130167 559016047 /nfs/dbraw/zinc/01/60/47/559016047.db2.gz TYORXTJNLYIMSX-CQSZACIVSA-N 1 1 353.394 2.084 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1F ZINC000412190404 559019296 /nfs/dbraw/zinc/01/92/96/559019296.db2.gz ZUEMHSXHYJUJNC-ZDUSSCGKSA-N 1 1 367.421 2.379 20 5 FEBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412312073 559026961 /nfs/dbraw/zinc/02/69/61/559026961.db2.gz URVFRTCGQJFXFF-DLBZAZTESA-N 1 1 361.442 2.268 20 5 FEBDMO CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412312073 559026962 /nfs/dbraw/zinc/02/69/62/559026962.db2.gz URVFRTCGQJFXFF-DLBZAZTESA-N 1 1 361.442 2.268 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCOCC3)C2)c(C(F)(F)F)c1 ZINC000413180520 559086076 /nfs/dbraw/zinc/08/60/76/559086076.db2.gz VPGCRPYYYUYSQM-LLVKDONJSA-N 1 1 360.336 2.167 20 5 FEBDMO CC(C)N1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000413204585 559088322 /nfs/dbraw/zinc/08/83/22/559088322.db2.gz JFSJAGMVYGNEEN-UHFFFAOYSA-N 1 1 351.426 2.124 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@H](CN)C2CCCCC2)cc1[N+](=O)[O-] ZINC000414852183 559190702 /nfs/dbraw/zinc/19/07/02/559190702.db2.gz QJYZJGBXYQFXAK-OAHLLOKOSA-N 1 1 365.430 2.144 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416927496 559338746 /nfs/dbraw/zinc/33/87/46/559338746.db2.gz WEBUFNROVXWKMA-STQMWFEESA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000416927496 559338747 /nfs/dbraw/zinc/33/87/47/559338747.db2.gz WEBUFNROVXWKMA-STQMWFEESA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)[N@@H+](CCO)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000419505455 559445419 /nfs/dbraw/zinc/44/54/19/559445419.db2.gz VSAZXWXPFLNZPM-ILXRZTDVSA-N 1 1 364.446 2.061 20 5 FEBDMO NC(=O)c1cccc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCOCC1 ZINC000420590339 559493252 /nfs/dbraw/zinc/49/32/52/559493252.db2.gz SYEUJPDVEIPTIJ-UHFFFAOYSA-N 1 1 370.409 2.138 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421403831 559541400 /nfs/dbraw/zinc/54/14/00/559541400.db2.gz YBIQKCJNAVIWKR-AWEZNQCLSA-N 1 1 366.414 2.131 20 5 FEBDMO Cc1c([C@@H](C)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000423374030 559627049 /nfs/dbraw/zinc/62/70/49/559627049.db2.gz CFKIUGFEUJQKSU-DOMZBBRYSA-N 1 1 360.380 2.390 20 5 FEBDMO Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)n1 ZINC000425075993 559686349 /nfs/dbraw/zinc/68/63/49/559686349.db2.gz FKICYKMJIARHPP-UHFFFAOYSA-N 1 1 364.431 2.194 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(NC[C@@H](c3ccccc3)[NH+]3CCOCC3)nc2c1 ZINC000427978924 559766868 /nfs/dbraw/zinc/76/68/68/559766868.db2.gz FULXANZTLUIXNU-SFHVURJKSA-N 1 1 367.409 2.378 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433061223 559870688 /nfs/dbraw/zinc/87/06/88/559870688.db2.gz OKDGDFCVYXHTFP-KSSFIOAISA-N 1 1 357.410 2.457 20 5 FEBDMO Cc1ccc(NCCCNC(=O)COc2ccc([N+](=O)[O-])c(C)c2)[nH+]c1 ZINC000435751065 559929538 /nfs/dbraw/zinc/92/95/38/559929538.db2.gz DWDCAGOQRFLHJS-UHFFFAOYSA-N 1 1 358.398 2.604 20 5 FEBDMO CCOC(=O)[C@]1(COC)CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000439479656 559995080 /nfs/dbraw/zinc/99/50/80/559995080.db2.gz ANTMJAPPXAIMRY-GOSISDBHSA-N 1 1 366.414 2.395 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000443382522 560082689 /nfs/dbraw/zinc/08/26/89/560082689.db2.gz IOUVUFHGPCEHFO-UKRRQHHQSA-N 1 1 362.430 2.173 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000443977170 560097935 /nfs/dbraw/zinc/09/79/35/560097935.db2.gz HJWZYWPOZHAANP-UHFFFAOYSA-N 1 1 355.460 2.304 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nnc5n4CCC5)C3)nc2c1 ZINC000444605030 560116547 /nfs/dbraw/zinc/11/65/47/560116547.db2.gz COINQMGSNIZHLD-LBPRGKRZSA-N 1 1 367.413 2.388 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nnc5n4CCC5)C3)nc2c1 ZINC000444605030 560116548 /nfs/dbraw/zinc/11/65/48/560116548.db2.gz COINQMGSNIZHLD-LBPRGKRZSA-N 1 1 367.413 2.388 20 5 FEBDMO COc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000449521002 560232630 /nfs/dbraw/zinc/23/26/30/560232630.db2.gz GXZWBYCGHJAHAR-SMDDNHRTSA-N 1 1 371.384 2.383 20 5 FEBDMO Cc1nc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000450492079 560263977 /nfs/dbraw/zinc/26/39/77/560263977.db2.gz ZBQGWMKAFMYWNH-OAHLLOKOSA-N 1 1 359.455 2.723 20 5 FEBDMO CCOc1cc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000451309425 560299425 /nfs/dbraw/zinc/29/94/25/560299425.db2.gz WPCXAZDWJAFOID-INMHGKMJSA-N 1 1 350.415 2.355 20 5 FEBDMO CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O ZINC000451548100 560313760 /nfs/dbraw/zinc/31/37/60/560313760.db2.gz MTQXUUNWAHKESR-OAHLLOKOSA-N 1 1 374.441 2.495 20 5 FEBDMO C[C@@H]1CN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C[C@H](C)[N@@H+]1CCO ZINC000451657618 560320079 /nfs/dbraw/zinc/32/00/79/560320079.db2.gz ZJWPTLJTNXIHOC-OKILXGFUSA-N 1 1 360.414 2.137 20 5 FEBDMO CO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451862949 560333094 /nfs/dbraw/zinc/33/30/94/560333094.db2.gz YKYVMRHFJMQBCB-IAGOWNOFSA-N 1 1 359.426 2.373 20 5 FEBDMO CO[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C12CCC2 ZINC000451862949 560333095 /nfs/dbraw/zinc/33/30/95/560333095.db2.gz YKYVMRHFJMQBCB-IAGOWNOFSA-N 1 1 359.426 2.373 20 5 FEBDMO COC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000452085086 560350156 /nfs/dbraw/zinc/35/01/56/560350156.db2.gz NJNYRWDHXKPOAN-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000452085086 560350157 /nfs/dbraw/zinc/35/01/57/560350157.db2.gz NJNYRWDHXKPOAN-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CC1(C)CCC[N@H+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000452089221 560350560 /nfs/dbraw/zinc/35/05/60/560350560.db2.gz PIERBHWAHYGTHQ-UHFFFAOYSA-N 1 1 361.851 2.401 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1C ZINC000452105271 560351564 /nfs/dbraw/zinc/35/15/64/560351564.db2.gz NOZCPTVNSNOQKA-AWEZNQCLSA-N 1 1 355.460 2.315 20 5 FEBDMO C[C@H]1CN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC[N@H+](C2CC2)C1 ZINC000452169362 560354432 /nfs/dbraw/zinc/35/44/32/560354432.db2.gz HRTSTDHIIPMDHG-CQSZACIVSA-N 1 1 369.425 2.337 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000452348711 560359063 /nfs/dbraw/zinc/35/90/63/560359063.db2.gz LQIITRITGPGMHQ-AWEZNQCLSA-N 1 1 363.439 2.386 20 5 FEBDMO COCCOc1cccc(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000453576770 560389311 /nfs/dbraw/zinc/38/93/11/560389311.db2.gz NHMKHXFQPDNREC-UHFFFAOYSA-N 1 1 372.425 2.337 20 5 FEBDMO COCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000454448142 560444856 /nfs/dbraw/zinc/44/48/56/560444856.db2.gz WIUDTHIGSPOCLF-MRXNPFEDSA-N 1 1 364.446 2.062 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000456379722 560518227 /nfs/dbraw/zinc/51/82/27/560518227.db2.gz NCLZYLKYDNRLOT-AWEZNQCLSA-N 1 1 372.425 2.465 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)COc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000457089147 560548091 /nfs/dbraw/zinc/54/80/91/560548091.db2.gz KVENIADUYPJCBP-AWEZNQCLSA-N 1 1 372.425 2.463 20 5 FEBDMO Cc1c(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000457132345 560552060 /nfs/dbraw/zinc/55/20/60/560552060.db2.gz URRSBNOGIVNNND-INIZCTEOSA-N 1 1 372.429 2.039 20 5 FEBDMO COc1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000458174364 560606944 /nfs/dbraw/zinc/60/69/44/560606944.db2.gz SCEDAXCOFHSFSE-LBPRGKRZSA-N 1 1 351.403 2.074 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)NC[C@H]2CCCC[N@H+]2CCO)cc1[N+](=O)[O-] ZINC000458511510 560628742 /nfs/dbraw/zinc/62/87/42/560628742.db2.gz PQGZBHNMSGBRAR-GOEBONIOSA-N 1 1 364.446 2.110 20 5 FEBDMO O=c1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)nc(C2CC2)[nH]1 ZINC000459386747 560683646 /nfs/dbraw/zinc/68/36/46/560683646.db2.gz YIUDZYRXXKYAOR-LBPRGKRZSA-N 1 1 356.386 2.049 20 5 FEBDMO CC(C)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cnn(C)c1 ZINC000459600804 560697143 /nfs/dbraw/zinc/69/71/43/560697143.db2.gz VICYIENQCAHNSM-UHFFFAOYSA-N 1 1 371.441 2.376 20 5 FEBDMO CC(C)C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)Cc1cnn(C)c1 ZINC000459600804 560697145 /nfs/dbraw/zinc/69/71/45/560697145.db2.gz VICYIENQCAHNSM-UHFFFAOYSA-N 1 1 371.441 2.376 20 5 FEBDMO Cc1ccc(NCCCNC(=O)NCCc2ccccc2[N+](=O)[O-])[nH+]c1 ZINC000465537710 560867583 /nfs/dbraw/zinc/86/75/83/560867583.db2.gz DGXLUVXFTDLXGM-UHFFFAOYSA-N 1 1 357.414 2.642 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)C[C@H]1C ZINC000467072580 560902921 /nfs/dbraw/zinc/90/29/21/560902921.db2.gz BQNLHEJMNZJMSJ-ZYHUDNBSSA-N 1 1 361.489 2.458 20 5 FEBDMO CCOC(=O)c1cc(N[C@H](C)[C@@H](C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000467779501 560917116 /nfs/dbraw/zinc/91/71/16/560917116.db2.gz AWPPAYXAUIDSBX-CHWSQXEVSA-N 1 1 351.403 2.293 20 5 FEBDMO C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000468113384 560922613 /nfs/dbraw/zinc/92/26/13/560922613.db2.gz MGPNFDOAOBBUCA-GWCFXTLKSA-N 1 1 352.341 2.050 20 5 FEBDMO C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000468113384 560922614 /nfs/dbraw/zinc/92/26/14/560922614.db2.gz MGPNFDOAOBBUCA-GWCFXTLKSA-N 1 1 352.341 2.050 20 5 FEBDMO CC[N@@H+](CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(C)C ZINC000468516477 560932035 /nfs/dbraw/zinc/93/20/35/560932035.db2.gz PDPRMBDONRSIAE-UHFFFAOYSA-N 1 1 350.419 2.098 20 5 FEBDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1[N+](=O)[O-] ZINC000470019091 560972334 /nfs/dbraw/zinc/97/23/34/560972334.db2.gz RDEQNIPZKQJHBT-QGZVFWFLSA-N 1 1 374.485 2.362 20 5 FEBDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCNCC3)C2)cc1[N+](=O)[O-] ZINC000470019091 560972335 /nfs/dbraw/zinc/97/23/35/560972335.db2.gz RDEQNIPZKQJHBT-QGZVFWFLSA-N 1 1 374.485 2.362 20 5 FEBDMO COC(=O)c1cn([C@H]2CC[N@@H+](C/C(C)=C\c3cccc([N+](=O)[O-])c3)C2)nn1 ZINC000470208206 560976636 /nfs/dbraw/zinc/97/66/36/560976636.db2.gz GOTDCSGSXBEQNL-RQPMMQJISA-N 1 1 371.397 2.323 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@](C)(OC)C2)c([N+](=O)[O-])c1 ZINC000470917587 560993962 /nfs/dbraw/zinc/99/39/62/560993962.db2.gz KXHISFYSOVRXDO-QGZVFWFLSA-N 1 1 351.403 2.433 20 5 FEBDMO Cc1[nH]nc(C(=O)N2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000471802011 561012148 /nfs/dbraw/zinc/01/21/48/561012148.db2.gz YWIUUFWTKZTAIU-HOTGVXAUSA-N 1 1 371.441 2.439 20 5 FEBDMO C[C@@H](CN1CCOCC1)[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000472228205 561021391 /nfs/dbraw/zinc/02/13/91/561021391.db2.gz DUVKOKBFVBRFRQ-KRWDZBQOSA-N 1 1 373.457 2.014 20 5 FEBDMO Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000472240877 561021793 /nfs/dbraw/zinc/02/17/93/561021793.db2.gz LYKVAGFMSCQPHO-KRWDZBQOSA-N 1 1 358.377 2.385 20 5 FEBDMO Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000472240877 561021794 /nfs/dbraw/zinc/02/17/94/561021794.db2.gz LYKVAGFMSCQPHO-KRWDZBQOSA-N 1 1 358.377 2.385 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000474345755 561071925 /nfs/dbraw/zinc/07/19/25/561071925.db2.gz ABQMBCYOZOEGSQ-ZDUSSCGKSA-N 1 1 360.370 2.037 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000474345755 561071926 /nfs/dbraw/zinc/07/19/26/561071926.db2.gz ABQMBCYOZOEGSQ-ZDUSSCGKSA-N 1 1 360.370 2.037 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000474556901 561076784 /nfs/dbraw/zinc/07/67/84/561076784.db2.gz LWDNBLNKOZLWFA-UHFFFAOYSA-N 1 1 358.398 2.074 20 5 FEBDMO CC[N@H+](CC(N)=O)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000475381652 561096061 /nfs/dbraw/zinc/09/60/61/561096061.db2.gz DQIOQEKCGOFPCG-UHFFFAOYSA-N 1 1 373.409 2.490 20 5 FEBDMO CC[N@@H+](CC(N)=O)Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000475381652 561096062 /nfs/dbraw/zinc/09/60/62/561096062.db2.gz DQIOQEKCGOFPCG-UHFFFAOYSA-N 1 1 373.409 2.490 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000475706401 561102849 /nfs/dbraw/zinc/10/28/49/561102849.db2.gz PBWDYBPYVHMAGH-LSDHHAIUSA-N 1 1 364.398 2.148 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCc3nc(C)ncc3C2)c([N+](=O)[O-])c1 ZINC000532471784 562478891 /nfs/dbraw/zinc/47/88/91/562478891.db2.gz ZWPLBOZRKGPJSN-UHFFFAOYSA-N 1 1 371.397 2.089 20 5 FEBDMO CCn1cc(C[N@@H+](C)CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)cn1 ZINC000532577434 562482042 /nfs/dbraw/zinc/48/20/42/562482042.db2.gz OYNDQDUOVHSGKN-UHFFFAOYSA-N 1 1 359.386 2.241 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)CC1 ZINC000534247929 562528484 /nfs/dbraw/zinc/52/84/84/562528484.db2.gz GCMUMAGDXOMQET-CQSZACIVSA-N 1 1 373.457 2.080 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCOCC2)c1 ZINC000541113317 562603485 /nfs/dbraw/zinc/60/34/85/562603485.db2.gz QYWIMYKBUCGVJM-MRXNPFEDSA-N 1 1 351.403 2.150 20 5 FEBDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000541332673 562609677 /nfs/dbraw/zinc/60/96/77/562609677.db2.gz SLLWCOORZHARFZ-GFCCVEGCSA-N 1 1 365.386 2.166 20 5 FEBDMO CC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000602774464 568028897 /nfs/dbraw/zinc/02/88/97/568028897.db2.gz ZVLIPVIPSHTYEL-UHFFFAOYSA-N 1 1 359.430 2.324 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000570244580 568465972 /nfs/dbraw/zinc/46/59/72/568465972.db2.gz PVHYTGLHBVOAKD-ZIAGYGMSSA-N 1 1 367.471 2.450 20 5 FEBDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736705559 598339037 /nfs/dbraw/zinc/33/90/37/598339037.db2.gz KFMABPPFJGTZLX-ZDUSSCGKSA-N 1 1 368.401 2.375 20 5 FEBDMO C[C@@H]1C[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668330 599590136 /nfs/dbraw/zinc/59/01/36/599590136.db2.gz RRSRBDHPYDHNRV-GHMZBOCLSA-N 1 1 368.401 2.218 20 5 FEBDMO C[N@@H+](CCn1cc(Br)cn1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808802087 674472922 /nfs/dbraw/zinc/47/29/22/674472922.db2.gz GMSKARXSQLGZIK-CQSZACIVSA-N 1 1 369.219 2.219 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000823640021 607471020 /nfs/dbraw/zinc/47/10/20/607471020.db2.gz PPGIBSFZPPNHER-LRDDRELGSA-N 1 1 369.429 2.228 20 5 FEBDMO C[NH+](C)Cc1cnc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)s1 ZINC000809537752 674496107 /nfs/dbraw/zinc/49/61/07/674496107.db2.gz DGGDYJHNWHZCQQ-UHFFFAOYSA-N 1 1 361.471 2.435 20 5 FEBDMO C[NH+]1CCN(CCCCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000561120610 674638959 /nfs/dbraw/zinc/63/89/59/674638959.db2.gz IFSDVJOGHAIIFR-UHFFFAOYSA-N 1 1 350.448 2.039 20 5 FEBDMO Cc1ccc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1[N+](=O)[O-] ZINC000561985343 674713140 /nfs/dbraw/zinc/71/31/40/674713140.db2.gz CQEDEHLPRRLMAP-OAHLLOKOSA-N 1 1 367.471 2.197 20 5 FEBDMO Cc1ccc(C[N@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1[N+](=O)[O-] ZINC000561985343 674713142 /nfs/dbraw/zinc/71/31/42/674713142.db2.gz CQEDEHLPRRLMAP-OAHLLOKOSA-N 1 1 367.471 2.197 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000055400628 670350583 /nfs/dbraw/zinc/35/05/83/670350583.db2.gz PBOGBOHFRJYMRZ-NWDGAFQWSA-N 1 1 350.375 2.353 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000817149341 675105457 /nfs/dbraw/zinc/10/54/57/675105457.db2.gz CTNQWNDZBKGCSP-VIFPVBQESA-N 1 1 365.814 2.102 20 5 FEBDMO CNc1nccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000571177036 670830597 /nfs/dbraw/zinc/83/05/97/670830597.db2.gz IILQUFQOECZGMK-UHFFFAOYSA-N 1 1 363.805 2.999 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000111635901 670860006 /nfs/dbraw/zinc/86/00/06/670860006.db2.gz QJNBRHAECCBKOE-ZDUSSCGKSA-N 1 1 350.375 2.416 20 5 FEBDMO Cc1sc(S(=O)(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000573339548 671110975 /nfs/dbraw/zinc/11/09/75/671110975.db2.gz OGZONVZREUYQPA-NSHDSACASA-N 1 1 361.489 2.363 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609545624 675925630 /nfs/dbraw/zinc/92/56/30/675925630.db2.gz HCCNRFNQLUINLA-LBPRGKRZSA-N 1 1 361.851 2.401 20 5 FEBDMO CC(C)(C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CCCC1 ZINC000580829775 671838163 /nfs/dbraw/zinc/83/81/63/671838163.db2.gz YGLOYCGRDZNTEE-UHFFFAOYSA-N 1 1 369.487 2.080 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000610062761 675949359 /nfs/dbraw/zinc/94/93/59/675949359.db2.gz YOMGNRWLQPBYRI-UHFFFAOYSA-N 1 1 353.176 2.292 20 5 FEBDMO COc1ccc(CSCC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610208720 675959165 /nfs/dbraw/zinc/95/91/65/675959165.db2.gz JJHJJGYOHGDFHU-JSGCOSHPSA-N 1 1 367.471 2.436 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000121744465 671956470 /nfs/dbraw/zinc/95/64/70/671956470.db2.gz LXRJPCICBBZEAK-LBPRGKRZSA-N 1 1 355.822 2.317 20 5 FEBDMO CN(C)CC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000582177466 671976086 /nfs/dbraw/zinc/97/60/86/671976086.db2.gz ZQQWGEBFLUFEMG-MRXNPFEDSA-N 1 1 351.447 2.046 20 5 FEBDMO C[NH+](C)CC1(CNC[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000582177466 671976089 /nfs/dbraw/zinc/97/60/89/671976089.db2.gz ZQQWGEBFLUFEMG-MRXNPFEDSA-N 1 1 351.447 2.046 20 5 FEBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000130171153 672072096 /nfs/dbraw/zinc/07/20/96/672072096.db2.gz MJZBADPAPPYQIA-UHFFFAOYSA-N 1 1 352.391 2.298 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000583766008 672124262 /nfs/dbraw/zinc/12/42/62/672124262.db2.gz OKHJKAOGYZEVBQ-QGZVFWFLSA-N 1 1 367.471 2.318 20 5 FEBDMO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2cc(F)c(F)cc2F)cc1 ZINC000136155726 672137824 /nfs/dbraw/zinc/13/78/24/672137824.db2.gz JXVRZOBMSVPBQJ-HZPDHXFCSA-N 1 1 356.300 2.196 20 5 FEBDMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2Cl)NC(=O)NC1=O ZINC000589189092 672512412 /nfs/dbraw/zinc/51/24/12/672512412.db2.gz ZQUYGIBUQOXLQQ-MLGOLLRUSA-N 1 1 366.805 2.201 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCS[C@@H]3COCC[C@H]31)OCCO2 ZINC000611285306 676029953 /nfs/dbraw/zinc/02/99/53/676029953.db2.gz YALLMRUBKFUGEE-MLGOLLRUSA-N 1 1 352.412 2.072 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCS[C@@H]3COCC[C@H]31)OCCO2 ZINC000611285306 676029955 /nfs/dbraw/zinc/02/99/55/676029955.db2.gz YALLMRUBKFUGEE-MLGOLLRUSA-N 1 1 352.412 2.072 20 5 FEBDMO COc1cc(CN2CC[C@H]3C[N@@H+](C)C[C@H]32)c([N+](=O)[O-])cc1OC(F)F ZINC000590012807 672554760 /nfs/dbraw/zinc/55/47/60/672554760.db2.gz YURUNEINACZSCT-GXFFZTMASA-N 1 1 357.357 2.341 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590442723 672583019 /nfs/dbraw/zinc/58/30/19/672583019.db2.gz GUXMFSXNBNVGEV-COPLHBTASA-N 1 1 353.806 2.178 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000590445079 672583551 /nfs/dbraw/zinc/58/35/51/672583551.db2.gz QEBYRVMGRWEFPW-SWLSCSKDSA-N 1 1 365.455 2.109 20 5 FEBDMO COc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc([N+](=O)[O-])c1C ZINC000590539729 672588083 /nfs/dbraw/zinc/58/80/83/672588083.db2.gz ZRPUKSWZQXDMCX-KBPBESRZSA-N 1 1 351.378 2.170 20 5 FEBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000590554811 672589175 /nfs/dbraw/zinc/58/91/75/672589175.db2.gz FTFXZPLPFIXFOZ-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590565748 672590423 /nfs/dbraw/zinc/59/04/23/672590423.db2.gz QERHDCXAAKDZRW-HZPDHXFCSA-N 1 1 367.833 2.112 20 5 FEBDMO Cc1cc(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000590590862 672593962 /nfs/dbraw/zinc/59/39/62/672593962.db2.gz KFVZTBALPDGPFY-AAEUAGOBSA-N 1 1 373.450 2.441 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000590662190 672599368 /nfs/dbraw/zinc/59/93/68/672599368.db2.gz BQZWZEDCLWOJBT-ZWNOBZJWSA-N 1 1 362.304 2.127 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000590662190 672599371 /nfs/dbraw/zinc/59/93/71/672599371.db2.gz BQZWZEDCLWOJBT-ZWNOBZJWSA-N 1 1 362.304 2.127 20 5 FEBDMO COc1cc(C[N@@H+](C)C[C@H](O)C2CC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000611549754 676043725 /nfs/dbraw/zinc/04/37/25/676043725.db2.gz RTMCDFLJDVZQNX-ZDUSSCGKSA-N 1 1 360.357 2.450 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000591845621 672715789 /nfs/dbraw/zinc/71/57/89/672715789.db2.gz CUXMXJGFIQNJFB-AWEZNQCLSA-N 1 1 370.247 2.264 20 5 FEBDMO CCOC[C@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130362 672762412 /nfs/dbraw/zinc/76/24/12/672762412.db2.gz FMAXKEWTQJVNHV-BRWVUGGUSA-N 1 1 352.431 2.098 20 5 FEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@@H+]1CCc2sccc2C1 ZINC000195172909 672778137 /nfs/dbraw/zinc/77/81/37/672778137.db2.gz OLNOCQIRYBFOSA-NSHDSACASA-N 1 1 360.439 2.415 20 5 FEBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)[N@H+]1CCc2sccc2C1 ZINC000195172909 672778140 /nfs/dbraw/zinc/77/81/40/672778140.db2.gz OLNOCQIRYBFOSA-NSHDSACASA-N 1 1 360.439 2.415 20 5 FEBDMO COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000246314685 672834776 /nfs/dbraw/zinc/83/47/76/672834776.db2.gz GLBSQPAJNAYYCG-NXEZZACHSA-N 1 1 357.794 2.316 20 5 FEBDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C(=O)N1c1cnn(C)c1 ZINC000612185432 676072488 /nfs/dbraw/zinc/07/24/88/676072488.db2.gz CVTOCWBEUSHFOV-ZUZCIYMTSA-N 1 1 363.805 2.265 20 5 FEBDMO COc1ccc(CNC(=O)NCCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593314893 672907650 /nfs/dbraw/zinc/90/76/50/672907650.db2.gz HILYGJYXYHUGKL-UHFFFAOYSA-N 1 1 352.435 2.381 20 5 FEBDMO COCC[N@@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593340527 672910585 /nfs/dbraw/zinc/91/05/85/672910585.db2.gz VYEVTVJQPIZTJT-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO COCC[N@H+]1CCN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC000593340527 672910588 /nfs/dbraw/zinc/91/05/88/672910588.db2.gz VYEVTVJQPIZTJT-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593698685 672980230 /nfs/dbraw/zinc/98/02/30/672980230.db2.gz WBEBSXIOBGMRPJ-OAHLLOKOSA-N 1 1 356.325 2.378 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594483235 673087066 /nfs/dbraw/zinc/08/70/66/673087066.db2.gz DKKNWRFFNVFAHC-HZPDHXFCSA-N 1 1 353.444 2.031 20 5 FEBDMO CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000594790555 673143557 /nfs/dbraw/zinc/14/35/57/673143557.db2.gz MTMDWRPYARKUHX-NSHDSACASA-N 1 1 359.423 2.133 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000594790555 673143560 /nfs/dbraw/zinc/14/35/60/673143560.db2.gz MTMDWRPYARKUHX-NSHDSACASA-N 1 1 359.423 2.133 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000425003348 673205733 /nfs/dbraw/zinc/20/57/33/673205733.db2.gz SLILYAUCLNUMGG-UHFFFAOYSA-N 1 1 367.471 2.500 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000595381410 673238628 /nfs/dbraw/zinc/23/86/28/673238628.db2.gz KFWPJQUBWSMNRD-UHFFFAOYSA-N 1 1 359.448 2.002 20 5 FEBDMO NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)co1 ZINC000595525211 673261460 /nfs/dbraw/zinc/26/14/60/673261460.db2.gz PVSPHUGUDJUNLA-AWEZNQCLSA-N 1 1 365.411 2.215 20 5 FEBDMO NS(=O)(=O)c1cc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)co1 ZINC000595525211 673261465 /nfs/dbraw/zinc/26/14/65/673261465.db2.gz PVSPHUGUDJUNLA-AWEZNQCLSA-N 1 1 365.411 2.215 20 5 FEBDMO Cn1cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C(F)F)n1 ZINC000462958817 673290814 /nfs/dbraw/zinc/29/08/14/673290814.db2.gz WWFWEBXVIPDVGF-LLVKDONJSA-N 1 1 352.345 2.347 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C(F)F)n1 ZINC000462958817 673290818 /nfs/dbraw/zinc/29/08/18/673290818.db2.gz WWFWEBXVIPDVGF-LLVKDONJSA-N 1 1 352.345 2.347 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](NC(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000732719845 673379583 /nfs/dbraw/zinc/37/95/83/673379583.db2.gz BUSIONRNGZYCAX-AWEZNQCLSA-N 1 1 363.487 2.050 20 5 FEBDMO C[NH+]1CCC(N2CC[C@H](NC(=S)Nc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000732719845 673379585 /nfs/dbraw/zinc/37/95/85/673379585.db2.gz BUSIONRNGZYCAX-AWEZNQCLSA-N 1 1 363.487 2.050 20 5 FEBDMO NS(=O)(=O)c1ccc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596477253 673388437 /nfs/dbraw/zinc/38/84/37/673388437.db2.gz IFUONBXWXIKHBC-LBPRGKRZSA-N 1 1 368.459 2.061 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C(F)(F)F)c1 ZINC000596539878 673392587 /nfs/dbraw/zinc/39/25/87/673392587.db2.gz RGLLREMUIZJVDN-GFCCVEGCSA-N 1 1 360.336 2.044 20 5 FEBDMO O=[N+]([O-])c1cc(Br)ccc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596540501 673392670 /nfs/dbraw/zinc/39/26/70/673392670.db2.gz TZOIIQDLHXQIFP-CYBMUJFWSA-N 1 1 370.247 2.393 20 5 FEBDMO NS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538739446 673455088 /nfs/dbraw/zinc/45/50/88/673455088.db2.gz IAIKKVDTQZZHJO-CQSZACIVSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000538739446 673455091 /nfs/dbraw/zinc/45/50/91/673455091.db2.gz IAIKKVDTQZZHJO-CQSZACIVSA-N 1 1 365.411 2.108 20 5 FEBDMO COc1cc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)c([N+](=O)[O-])cc1F ZINC000597574714 673488903 /nfs/dbraw/zinc/48/89/03/673488903.db2.gz GZYUZOPFDYDKQP-OLZOCXBDSA-N 1 1 355.341 2.001 20 5 FEBDMO CCOc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cc1[N+](=O)[O-] ZINC000597577251 673489220 /nfs/dbraw/zinc/48/92/20/673489220.db2.gz ZVQRPMBPXSDNCR-KGLIPLIRSA-N 1 1 351.378 2.252 20 5 FEBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)C2 ZINC000597710413 673501506 /nfs/dbraw/zinc/50/15/06/673501506.db2.gz MBMTYTZOQBENIA-QGZVFWFLSA-N 1 1 353.369 2.360 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1[N+](=O)[O-] ZINC000598600596 673588162 /nfs/dbraw/zinc/58/81/62/673588162.db2.gz VDDVPRIPIZFCIP-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000598604912 673589008 /nfs/dbraw/zinc/58/90/08/673589008.db2.gz CLBVNWATCSWIBN-CABCVRRESA-N 1 1 367.471 2.316 20 5 FEBDMO COc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598966839 673625232 /nfs/dbraw/zinc/62/52/32/673625232.db2.gz JFJBCRUIUWSXQA-CQSZACIVSA-N 1 1 350.419 2.135 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000599389854 673668011 /nfs/dbraw/zinc/66/80/11/673668011.db2.gz DJWJWEKXEWOBFX-KRWDZBQOSA-N 1 1 367.471 2.421 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000599414780 673672589 /nfs/dbraw/zinc/67/25/89/673672589.db2.gz IGMARKVBQHPPCT-ZDUSSCGKSA-N 1 1 355.460 2.167 20 5 FEBDMO CCc1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000599464028 673678665 /nfs/dbraw/zinc/67/86/65/673678665.db2.gz IXMZATBVJLBTRA-HNNXBMFYSA-N 1 1 367.471 2.452 20 5 FEBDMO CCC(O)(CC)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599673446 673704930 /nfs/dbraw/zinc/70/49/30/673704930.db2.gz OWOYXSQDLVUAJY-LBPRGKRZSA-N 1 1 353.419 2.413 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCOCC3)CC2)c1 ZINC000600105331 673741052 /nfs/dbraw/zinc/74/10/52/673741052.db2.gz LSXFTYVPRWFNPZ-UHFFFAOYSA-N 1 1 365.455 2.254 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000545467810 673771577 /nfs/dbraw/zinc/77/15/77/673771577.db2.gz CULWIFPRLTUGKK-HZSPNIEDSA-N 1 1 355.460 2.240 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c([N+](=O)[O-])cc1F ZINC000600469848 673772087 /nfs/dbraw/zinc/77/20/87/673772087.db2.gz LKKMKQYRKWSCCD-GFCCVEGCSA-N 1 1 351.378 2.489 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])[C@H](C)C1 ZINC000601356613 673847498 /nfs/dbraw/zinc/84/74/98/673847498.db2.gz SJPUQRBKWKVQIC-PWSUYJOCSA-N 1 1 361.489 2.316 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])s1 ZINC000601372460 673850525 /nfs/dbraw/zinc/85/05/25/673850525.db2.gz YTWQAANKXQWOMY-RYUDHWBXSA-N 1 1 359.473 2.070 20 5 FEBDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000746662726 673888687 /nfs/dbraw/zinc/88/86/87/673888687.db2.gz HNMAWXHNMKHGHJ-CYBMUJFWSA-N 1 1 353.423 2.028 20 5 FEBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000602549342 673908025 /nfs/dbraw/zinc/90/80/25/673908025.db2.gz BMWQCXTXJXBYPZ-NSHDSACASA-N 1 1 352.334 2.280 20 5 FEBDMO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1Br ZINC000602573221 673908360 /nfs/dbraw/zinc/90/83/60/673908360.db2.gz ZEXNQPMTEBBINM-MRVPVSSYSA-N 1 1 369.262 2.086 20 5 FEBDMO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2c([N+](=O)[O-])ncn2C)C1 ZINC000548021630 673915733 /nfs/dbraw/zinc/91/57/33/673915733.db2.gz SZKJGCGPXKTPTO-GFCCVEGCSA-N 1 1 350.448 2.052 20 5 FEBDMO CC(=O)NCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000549081887 674015564 /nfs/dbraw/zinc/01/55/64/674015564.db2.gz FYBAFFPQNZLKBH-UHFFFAOYSA-N 1 1 367.471 2.307 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000819912985 675323456 /nfs/dbraw/zinc/32/34/56/675323456.db2.gz ZDDDLQOGHAFSEM-SMDDNHRTSA-N 1 1 373.862 2.271 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000825756445 675667587 /nfs/dbraw/zinc/66/75/87/675667587.db2.gz STGNWFFEXOVPJF-LBPRGKRZSA-N 1 1 355.822 2.397 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000826945798 675717438 /nfs/dbraw/zinc/71/74/38/675717438.db2.gz GTGOCEDRDQDUFO-LBPRGKRZSA-N 1 1 350.394 2.109 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000827121058 675731211 /nfs/dbraw/zinc/73/12/11/675731211.db2.gz XORAALUZUMAEFB-LBPRGKRZSA-N 1 1 370.247 2.264 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000604530191 675805924 /nfs/dbraw/zinc/80/59/24/675805924.db2.gz KOYIWBVUVYXNGV-UHFFFAOYSA-N 1 1 351.451 2.213 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000828248451 675809127 /nfs/dbraw/zinc/80/91/27/675809127.db2.gz GRQJOOAOTCVIAA-VHSXEESVSA-N 1 1 368.821 2.371 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000828248451 675809129 /nfs/dbraw/zinc/80/91/29/675809129.db2.gz GRQJOOAOTCVIAA-VHSXEESVSA-N 1 1 368.821 2.371 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@@H]21 ZINC000828512534 675826601 /nfs/dbraw/zinc/82/66/01/675826601.db2.gz WBOBMOGXXPENEV-KCJUWKMLSA-N 1 1 356.785 2.136 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC[C@H]21 ZINC000828512536 675826698 /nfs/dbraw/zinc/82/66/98/675826698.db2.gz WBOBMOGXXPENEV-LDYMZIIASA-N 1 1 356.785 2.136 20 5 FEBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000830022824 677022140 /nfs/dbraw/zinc/02/21/40/677022140.db2.gz NFGNOGCUIIIGAW-GDBMZVCRSA-N 1 1 367.446 2.363 20 5 FEBDMO NC(=O)C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839506063 680757893 /nfs/dbraw/zinc/75/78/93/680757893.db2.gz WETRTDDKAOSPCE-JTQLQIEISA-N 1 1 356.220 2.445 20 5 FEBDMO NC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839506063 680757896 /nfs/dbraw/zinc/75/78/96/680757896.db2.gz WETRTDDKAOSPCE-JTQLQIEISA-N 1 1 356.220 2.445 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000839561595 680761875 /nfs/dbraw/zinc/76/18/75/680761875.db2.gz WHKBFMHBFVPWIQ-NSHDSACASA-N 1 1 370.837 2.423 20 5 FEBDMO CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764236956 680803571 /nfs/dbraw/zinc/80/35/71/680803571.db2.gz WOIHRGPYIRIDSE-SNVBAGLBSA-N 1 1 357.794 2.460 20 5 FEBDMO CCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000764236956 680803573 /nfs/dbraw/zinc/80/35/73/680803573.db2.gz WOIHRGPYIRIDSE-SNVBAGLBSA-N 1 1 357.794 2.460 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000840222758 680808618 /nfs/dbraw/zinc/80/86/18/680808618.db2.gz RIULTDSQQCCRNY-GFCCVEGCSA-N 1 1 350.371 2.397 20 5 FEBDMO COC(=O)c1cnc([C@@H](C)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000840723141 680839623 /nfs/dbraw/zinc/83/96/23/680839623.db2.gz ULODMGUNMIJXOU-BXKDBHETSA-N 1 1 351.384 2.222 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000765518464 680844974 /nfs/dbraw/zinc/84/49/74/680844974.db2.gz WADHOPOZABDOIZ-NSHDSACASA-N 1 1 371.821 2.415 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCCC[NH+]1CCOCC1 ZINC000765522905 680845248 /nfs/dbraw/zinc/84/52/48/680845248.db2.gz SHIOGIMYOABACI-INIZCTEOSA-N 1 1 350.415 2.429 20 5 FEBDMO COc1cc(C(=O)OC[C@H]2C[N@@H+](C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000835297511 680316178 /nfs/dbraw/zinc/31/61/78/680316178.db2.gz LOOTZWBMRKOGJX-LLVKDONJSA-N 1 1 356.350 2.009 20 5 FEBDMO COc1cc(C(=O)OC[C@H]2C[N@H+](C(C)C)CCO2)c([N+](=O)[O-])cc1F ZINC000835297511 680316181 /nfs/dbraw/zinc/31/61/81/680316181.db2.gz LOOTZWBMRKOGJX-LLVKDONJSA-N 1 1 356.350 2.009 20 5 FEBDMO C[N@@H+](Cc1ccccc1Cl)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985427063 680447335 /nfs/dbraw/zinc/44/73/35/680447335.db2.gz WTSMOCUJTDBTFJ-GDBMZVCRSA-N 1 1 351.834 2.428 20 5 FEBDMO C[N@H+](Cc1ccccc1Cl)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985427063 680447337 /nfs/dbraw/zinc/44/73/37/680447337.db2.gz WTSMOCUJTDBTFJ-GDBMZVCRSA-N 1 1 351.834 2.428 20 5 FEBDMO C[N@@H+](Cc1ccccc1Cl)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985427063 680447341 /nfs/dbraw/zinc/44/73/41/680447341.db2.gz WTSMOCUJTDBTFJ-GDBMZVCRSA-N 1 1 351.834 2.428 20 5 FEBDMO C[N@@H+](Cc1ccc(F)c(F)c1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430765 680447490 /nfs/dbraw/zinc/44/74/90/680447490.db2.gz JCAMFLHWPJBXIN-CZUORRHYSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@H+](Cc1ccc(F)c(F)c1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430765 680447494 /nfs/dbraw/zinc/44/74/94/680447494.db2.gz JCAMFLHWPJBXIN-CZUORRHYSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@@H+](Cc1ccc(F)c(F)c1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985430765 680447498 /nfs/dbraw/zinc/44/74/98/680447498.db2.gz JCAMFLHWPJBXIN-CZUORRHYSA-N 1 1 353.369 2.053 20 5 FEBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000841523890 680891544 /nfs/dbraw/zinc/89/15/44/680891544.db2.gz IIRLIQPRKGMASP-MRVPVSSYSA-N 1 1 368.242 2.132 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc([N+](=O)[O-])c1F ZINC000841546745 680895326 /nfs/dbraw/zinc/89/53/26/680895326.db2.gz VDEVTCCVVGOSBD-GFCCVEGCSA-N 1 1 359.423 2.053 20 5 FEBDMO Cn1cc[nH+]c1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000767453023 680912290 /nfs/dbraw/zinc/91/22/90/680912290.db2.gz AOCWSSRJENHWPH-GFCCVEGCSA-N 1 1 364.427 2.116 20 5 FEBDMO C[N@@H+]1CCO[C@H](CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000842652714 680957362 /nfs/dbraw/zinc/95/73/62/680957362.db2.gz XGZGKBLBQWXVIP-NSHDSACASA-N 1 1 359.835 2.251 20 5 FEBDMO C[N@H+]1CCO[C@H](CSCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000842652714 680957363 /nfs/dbraw/zinc/95/73/63/680957363.db2.gz XGZGKBLBQWXVIP-NSHDSACASA-N 1 1 359.835 2.251 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000768791862 680958271 /nfs/dbraw/zinc/95/82/71/680958271.db2.gz FGEUKRMQQPTJEQ-CYBMUJFWSA-N 1 1 367.452 2.209 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000768791862 680958272 /nfs/dbraw/zinc/95/82/72/680958272.db2.gz FGEUKRMQQPTJEQ-CYBMUJFWSA-N 1 1 367.452 2.209 20 5 FEBDMO O=C(CCN1CC[C@]2(C1)CCC[NH2+]C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000843382415 681000639 /nfs/dbraw/zinc/00/06/39/681000639.db2.gz OZYQFZCIETWLOK-QGZVFWFLSA-N 1 1 350.394 2.138 20 5 FEBDMO Cc1c(C(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000844640985 681069753 /nfs/dbraw/zinc/06/97/53/681069753.db2.gz MMUUBEXGQFOWJN-YUSALJHKSA-N 1 1 350.375 2.365 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1COC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000772048130 681081152 /nfs/dbraw/zinc/08/11/52/681081152.db2.gz LEQQKKQCPMTYQF-AWEZNQCLSA-N 1 1 354.428 2.474 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1COC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000772048130 681081154 /nfs/dbraw/zinc/08/11/54/681081154.db2.gz LEQQKKQCPMTYQF-AWEZNQCLSA-N 1 1 354.428 2.474 20 5 FEBDMO CC[C@H](CSC)[N@@H+](C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000773260619 681133400 /nfs/dbraw/zinc/13/34/00/681133400.db2.gz YMTMLUXJEAHQOC-GFCCVEGCSA-N 1 1 366.443 2.394 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000774299201 681177830 /nfs/dbraw/zinc/17/78/30/681177830.db2.gz VIJRFIXLWZNMPN-CQSZACIVSA-N 1 1 354.428 2.263 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1OCCOC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000774299201 681177832 /nfs/dbraw/zinc/17/78/32/681177832.db2.gz VIJRFIXLWZNMPN-CQSZACIVSA-N 1 1 354.428 2.263 20 5 FEBDMO CCc1cnc(N2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000776278831 681378740 /nfs/dbraw/zinc/37/87/40/681378740.db2.gz USHAALCSMVNXEY-MRXNPFEDSA-N 1 1 362.455 2.469 20 5 FEBDMO Cn1cc(C[N@@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])n1 ZINC000933710423 681455260 /nfs/dbraw/zinc/45/52/60/681455260.db2.gz UHMXIVAHOCRFRD-VIFPVBQESA-N 1 1 356.308 2.127 20 5 FEBDMO Cn1cc(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c([N+](=O)[O-])n1 ZINC000933710423 681455264 /nfs/dbraw/zinc/45/52/64/681455264.db2.gz UHMXIVAHOCRFRD-VIFPVBQESA-N 1 1 356.308 2.127 20 5 FEBDMO C[C@H](CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1 ZINC000777799889 681531421 /nfs/dbraw/zinc/53/14/21/681531421.db2.gz URUNVTFVOZEWBI-WDEREUQCSA-N 1 1 363.443 2.450 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000777802384 681532250 /nfs/dbraw/zinc/53/22/50/681532250.db2.gz QLJWOSHRVSCGJO-SECBINFHSA-N 1 1 372.353 2.215 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000848483994 681559294 /nfs/dbraw/zinc/55/92/94/681559294.db2.gz VJPYGDVCPQERFB-UHFFFAOYSA-N 1 1 359.423 2.229 20 5 FEBDMO C[N@H+](CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCSC1 ZINC000778788906 681650135 /nfs/dbraw/zinc/65/01/35/681650135.db2.gz WEZWGDLMQXAAMO-JKSUJKDBSA-N 1 1 365.455 2.154 20 5 FEBDMO C[N@@H+](CC(=O)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCSC1 ZINC000778788906 681650143 /nfs/dbraw/zinc/65/01/43/681650143.db2.gz WEZWGDLMQXAAMO-JKSUJKDBSA-N 1 1 365.455 2.154 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000779910101 681770247 /nfs/dbraw/zinc/77/02/47/681770247.db2.gz MRUWOYVIJKQNFZ-ZYHUDNBSSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000779910101 681770250 /nfs/dbraw/zinc/77/02/50/681770250.db2.gz MRUWOYVIJKQNFZ-ZYHUDNBSSA-N 1 1 373.862 2.318 20 5 FEBDMO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](CCCCCO)CC1 ZINC000913688004 685482023 /nfs/dbraw/zinc/48/20/23/685482023.db2.gz HDKADBMVQRKNHJ-UHFFFAOYSA-N 1 1 355.822 2.169 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000918359787 685538755 /nfs/dbraw/zinc/53/87/55/685538755.db2.gz JPOHBARGTFOTCY-IYBDPMFKSA-N 1 1 371.434 2.005 20 5 FEBDMO CC(C)[C@H](C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000787962289 682493872 /nfs/dbraw/zinc/49/38/72/682493872.db2.gz ONFZSFWWZJDHMF-CQSZACIVSA-N 1 1 357.794 2.316 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000859358134 683092728 /nfs/dbraw/zinc/09/27/28/683092728.db2.gz VPNYTRQOSJUWLZ-UHFFFAOYSA-N 1 1 368.865 2.396 20 5 FEBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000795827863 683095437 /nfs/dbraw/zinc/09/54/37/683095437.db2.gz DGVOZWYLOMSBGK-SECBINFHSA-N 1 1 365.814 2.007 20 5 FEBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000920315976 683333889 /nfs/dbraw/zinc/33/38/89/683333889.db2.gz SQSLLMADESHHCF-MNOVXSKESA-N 1 1 359.835 2.153 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000928093617 683383121 /nfs/dbraw/zinc/38/31/21/683383121.db2.gz DITRSSMMFDLOJY-HOCLYGCPSA-N 1 1 360.439 2.386 20 5 FEBDMO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000862628989 683610679 /nfs/dbraw/zinc/61/06/79/683610679.db2.gz LSFPRSPZGFCUDA-LBPRGKRZSA-N 1 1 350.394 2.453 20 5 FEBDMO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000931296452 684257505 /nfs/dbraw/zinc/25/75/05/684257505.db2.gz HKBYZIUUCOXRGV-OLZOCXBDSA-N 1 1 368.821 2.311 20 5 FEBDMO O=C1CC2(CCOCC2)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000872285162 684934820 /nfs/dbraw/zinc/93/48/20/684934820.db2.gz XMMUKCRPLBSDIT-UHFFFAOYSA-N 1 1 353.806 2.119 20 5 FEBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CCN1 ZINC000872285162 684934831 /nfs/dbraw/zinc/93/48/31/684934831.db2.gz XMMUKCRPLBSDIT-UHFFFAOYSA-N 1 1 353.806 2.119 20 5 FEBDMO O=C1CC2(CCOCC2)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000872286474 684934936 /nfs/dbraw/zinc/93/49/36/684934936.db2.gz INZFDUUOAMUBRW-UHFFFAOYSA-N 1 1 353.806 2.119 20 5 FEBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CCN1 ZINC000872286474 684934937 /nfs/dbraw/zinc/93/49/37/684934937.db2.gz INZFDUUOAMUBRW-UHFFFAOYSA-N 1 1 353.806 2.119 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)c1[N+](=O)[O-] ZINC000872661746 684999113 /nfs/dbraw/zinc/99/91/13/684999113.db2.gz BHHHHUDSARMZFY-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000872661746 684999119 /nfs/dbraw/zinc/99/91/19/684999119.db2.gz BHHHHUDSARMZFY-UONOGXRCSA-N 1 1 353.444 2.069 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872666610 685001772 /nfs/dbraw/zinc/00/17/72/685001772.db2.gz XALRUJXODZLJHS-QWHCGFSZSA-N 1 1 373.862 2.414 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872666610 685001774 /nfs/dbraw/zinc/00/17/74/685001774.db2.gz XALRUJXODZLJHS-QWHCGFSZSA-N 1 1 373.862 2.414 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877791958 686462704 /nfs/dbraw/zinc/46/27/04/686462704.db2.gz LFJDNDVRQVNKMG-OPPWZJLSSA-N 1 1 350.440 2.365 20 5 FEBDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000877791958 686462707 /nfs/dbraw/zinc/46/27/07/686462707.db2.gz LFJDNDVRQVNKMG-OPPWZJLSSA-N 1 1 350.440 2.365 20 5 FEBDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000878614952 686619664 /nfs/dbraw/zinc/61/96/64/686619664.db2.gz HYYKJSKSVPCVHW-AWEZNQCLSA-N 1 1 353.423 2.043 20 5 FEBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000880133977 687003762 /nfs/dbraw/zinc/00/37/62/687003762.db2.gz KJQFZGRDYTWYHA-ZIAGYGMSSA-N 1 1 352.822 2.355 20 5 FEBDMO CCOc1cc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000880585404 687063352 /nfs/dbraw/zinc/06/33/52/687063352.db2.gz RHENCKFUIJBEJQ-OAHLLOKOSA-N 1 1 350.415 2.357 20 5 FEBDMO O=C(C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000886628487 688284619 /nfs/dbraw/zinc/28/46/19/688284619.db2.gz SHPDTQGGKOPEFD-GDBMZVCRSA-N 1 1 353.806 2.424 20 5 FEBDMO O=C(C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000886628487 688284623 /nfs/dbraw/zinc/28/46/23/688284623.db2.gz SHPDTQGGKOPEFD-GDBMZVCRSA-N 1 1 353.806 2.424 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)cc1[N+](=O)[O-] ZINC000889751774 688816553 /nfs/dbraw/zinc/81/65/53/688816553.db2.gz SBZRYNLAPQVGJO-LSDHHAIUSA-N 1 1 367.833 2.228 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889756902 688818172 /nfs/dbraw/zinc/81/81/72/688818172.db2.gz PCLNTEJVKQZZKH-UONOGXRCSA-N 1 1 367.833 2.228 20 5 FEBDMO C[C@@H](Nc1c(Br)cccc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895246453 689683335 /nfs/dbraw/zinc/68/33/35/689683335.db2.gz BTCJVGMKIWQYAF-MFKMUULPSA-N 1 1 357.252 2.404 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(C(F)(F)F)c1 ZINC000897218245 689989766 /nfs/dbraw/zinc/98/97/66/689989766.db2.gz BPFFYISQCWYHAQ-STQMWFEESA-N 1 1 360.336 2.044 20 5 FEBDMO C[C@H](CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000900693638 690548888 /nfs/dbraw/zinc/54/88/88/690548888.db2.gz YZXSKCGJSVEOLQ-LLVKDONJSA-N 1 1 372.828 2.001 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000908541072 691695493 /nfs/dbraw/zinc/69/54/93/691695493.db2.gz PJGJOMXUGAEZPI-AWEZNQCLSA-N 1 1 369.849 2.144 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000032441210 539938879 /nfs/dbraw/zinc/93/88/79/539938879.db2.gz GFXNNVCFNOZJQA-KGLIPLIRSA-N 1 1 355.460 2.444 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCCCN2CC[NH+](C)CC2)c1 ZINC000041361549 540018136 /nfs/dbraw/zinc/01/81/36/540018136.db2.gz MNKGTXNCJZDIRE-UHFFFAOYSA-N 1 1 366.487 2.074 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045807398 540229101 /nfs/dbraw/zinc/22/91/01/540229101.db2.gz SSQPDQWPGOAVKG-UHFFFAOYSA-N 1 1 353.444 2.152 20 5 FEBDMO C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000046935509 540277573 /nfs/dbraw/zinc/27/75/73/540277573.db2.gz SCXWZMNMTDDEKX-HNNXBMFYSA-N 1 1 371.441 2.340 20 5 FEBDMO C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)C1 ZINC000046935508 540277597 /nfs/dbraw/zinc/27/75/97/540277597.db2.gz SCXWZMNMTDDEKX-OAHLLOKOSA-N 1 1 371.441 2.340 20 5 FEBDMO C[NH+]1CCC(N2CCC(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)CC1 ZINC000050954591 540416851 /nfs/dbraw/zinc/41/68/51/540416851.db2.gz GLYSKIYVYASUAN-UHFFFAOYSA-N 1 1 363.418 2.474 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000051043269 540419931 /nfs/dbraw/zinc/41/99/31/540419931.db2.gz YKSBQICWSVTXNL-AWEZNQCLSA-N 1 1 362.430 2.162 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929966 540500702 /nfs/dbraw/zinc/50/07/02/540500702.db2.gz YVHXCJMKKXFJTK-ZFWWWQNUSA-N 1 1 374.441 2.160 20 5 FEBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000052929966 540500706 /nfs/dbraw/zinc/50/07/06/540500706.db2.gz YVHXCJMKKXFJTK-ZFWWWQNUSA-N 1 1 374.441 2.160 20 5 FEBDMO C[N@@H+](CCNC(=O)NCCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000054762243 540607543 /nfs/dbraw/zinc/60/75/43/540607543.db2.gz WGCUBVXHPZKIMV-UHFFFAOYSA-N 1 1 371.441 2.438 20 5 FEBDMO CCOc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])cc1OC ZINC000055669286 540669054 /nfs/dbraw/zinc/66/90/54/540669054.db2.gz VEGALMAXYRANKM-UHFFFAOYSA-N 1 1 363.414 2.170 20 5 FEBDMO CC(C)C[C@@H](CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000056459395 540727614 /nfs/dbraw/zinc/72/76/14/540727614.db2.gz TZSVXOUSCZNSQC-KRWDZBQOSA-N 1 1 364.446 2.141 20 5 FEBDMO C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000056460010 540727644 /nfs/dbraw/zinc/72/76/44/540727644.db2.gz ZNOKADUVJAPEGZ-OKILXGFUSA-N 1 1 364.446 2.282 20 5 FEBDMO C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000056460010 540727647 /nfs/dbraw/zinc/72/76/47/540727647.db2.gz ZNOKADUVJAPEGZ-OKILXGFUSA-N 1 1 364.446 2.282 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000057552660 540802112 /nfs/dbraw/zinc/80/21/12/540802112.db2.gz BFQMDUSDEFQASE-NFAWXSAZSA-N 1 1 365.405 2.448 20 5 FEBDMO CCN(CC)S(=O)(=O)c1ccc(NCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000060061455 540867191 /nfs/dbraw/zinc/86/71/91/540867191.db2.gz CHZZAEZYARHLOQ-UHFFFAOYSA-N 1 1 370.475 2.131 20 5 FEBDMO CCN(CC)C(=O)C[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000060089889 540868220 /nfs/dbraw/zinc/86/82/20/540868220.db2.gz ZIZRYNGEWUVJIA-UHFFFAOYSA-N 1 1 350.419 2.032 20 5 FEBDMO O=C(c1ccc[nH]1)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000359941913 223137841 /nfs/dbraw/zinc/13/78/41/223137841.db2.gz OVWKCWFBSCJWGC-UHFFFAOYSA-N 1 1 358.398 2.150 20 5 FEBDMO O=C(c1ccc[nH]1)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000359941913 223137843 /nfs/dbraw/zinc/13/78/43/223137843.db2.gz OVWKCWFBSCJWGC-UHFFFAOYSA-N 1 1 358.398 2.150 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[N@H+](C3CC3)CC2)cc1OC ZINC000061605069 541134964 /nfs/dbraw/zinc/13/49/64/541134964.db2.gz ZWLQGRMWVJUNQI-UHFFFAOYSA-N 1 1 363.414 2.312 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000063852978 541189528 /nfs/dbraw/zinc/18/95/28/541189528.db2.gz YDFGJYCXOIRYDO-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000065244231 541231014 /nfs/dbraw/zinc/23/10/14/541231014.db2.gz DPUOEPBZTUDNQW-KGLIPLIRSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000065244231 541231018 /nfs/dbraw/zinc/23/10/18/541231018.db2.gz DPUOEPBZTUDNQW-KGLIPLIRSA-N 1 1 362.430 2.160 20 5 FEBDMO C[NH+](C)CCN(c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000550732279 674107918 /nfs/dbraw/zinc/10/79/18/674107918.db2.gz MFZWVEQHDGBMGS-UHFFFAOYSA-N 1 1 355.460 2.309 20 5 FEBDMO CNS(=O)(=O)c1ccc(NCC[N@@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000068996968 541646815 /nfs/dbraw/zinc/64/68/15/541646815.db2.gz LUHRIEATRSGJLE-UHFFFAOYSA-N 1 1 370.475 2.179 20 5 FEBDMO COC(=O)c1cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)o1 ZINC000072665046 541847268 /nfs/dbraw/zinc/84/72/68/541847268.db2.gz ABSDAFFBZKXYTJ-ZDUSSCGKSA-N 1 1 360.370 2.364 20 5 FEBDMO COC(=O)c1cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c(C)o1 ZINC000072665046 541847269 /nfs/dbraw/zinc/84/72/69/541847269.db2.gz ABSDAFFBZKXYTJ-ZDUSSCGKSA-N 1 1 360.370 2.364 20 5 FEBDMO COCCOC[C@H]1CC[N@@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000072796465 541865523 /nfs/dbraw/zinc/86/55/23/541865523.db2.gz OEBMTRMRKNBRGK-HNNXBMFYSA-N 1 1 365.430 2.217 20 5 FEBDMO C[NH+](C)CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2F)cc1 ZINC000073306717 541941784 /nfs/dbraw/zinc/94/17/84/541941784.db2.gz FEZBBSAAEZQHGF-UHFFFAOYSA-N 1 1 360.345 2.486 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC000073996342 542024288 /nfs/dbraw/zinc/02/42/88/542024288.db2.gz PGEFYRIIHNELRV-LSDHHAIUSA-N 1 1 361.398 2.080 20 5 FEBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CC[NH+]1CCOCC1 ZINC000074105010 542037075 /nfs/dbraw/zinc/03/70/75/542037075.db2.gz FCBPJSFWTWYTGV-UONOGXRCSA-N 1 1 367.471 2.302 20 5 FEBDMO Cc1ccc(C)c([C@H]2C[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H](C)CO2)c1 ZINC000075837220 542207368 /nfs/dbraw/zinc/20/73/68/542207368.db2.gz HWXUHFAHJXIBEM-HHXXYDBFSA-N 1 1 374.441 2.231 20 5 FEBDMO Cc1ccc(C)c([C@H]2C[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)[C@H](C)CO2)c1 ZINC000075837220 542207372 /nfs/dbraw/zinc/20/73/72/542207372.db2.gz HWXUHFAHJXIBEM-HHXXYDBFSA-N 1 1 374.441 2.231 20 5 FEBDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000075839071 542207672 /nfs/dbraw/zinc/20/76/72/542207672.db2.gz QJFKVISUWFYELI-ROUUACIJSA-N 1 1 359.430 2.055 20 5 FEBDMO CN(CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000081293948 542645292 /nfs/dbraw/zinc/64/52/92/542645292.db2.gz YDFKSFXJTILSOX-INIZCTEOSA-N 1 1 360.458 2.412 20 5 FEBDMO C[N@@H+](CC1CC1)C[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000081634707 542671244 /nfs/dbraw/zinc/67/12/44/542671244.db2.gz QWGNMOXVFLTRSJ-VQIMIIECSA-N 1 1 372.469 2.364 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089927156 542774595 /nfs/dbraw/zinc/77/45/95/542774595.db2.gz CNUCXDKKPCXDKO-XQQFMLRXSA-N 1 1 351.403 2.023 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000089927156 542774596 /nfs/dbraw/zinc/77/45/96/542774596.db2.gz CNUCXDKKPCXDKO-XQQFMLRXSA-N 1 1 351.403 2.023 20 5 FEBDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552115 542786220 /nfs/dbraw/zinc/78/62/20/542786220.db2.gz UJCQTDWPEXOUGM-INIZCTEOSA-N 1 1 356.426 2.487 20 5 FEBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092641116 542876388 /nfs/dbraw/zinc/87/63/88/542876388.db2.gz PVWUJUFBUKBSBB-KRWDZBQOSA-N 1 1 371.441 2.498 20 5 FEBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092641117 542876428 /nfs/dbraw/zinc/87/64/28/542876428.db2.gz PVWUJUFBUKBSBB-QGZVFWFLSA-N 1 1 371.441 2.498 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NCC[N@@H+](CC)C(C)C)cc1OC ZINC000102496227 543072128 /nfs/dbraw/zinc/07/21/28/543072128.db2.gz RGFZIKUISATDIF-UHFFFAOYSA-N 1 1 353.419 2.462 20 5 FEBDMO CC[N@@H+]1CCc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)sc2C1 ZINC000102889078 543084735 /nfs/dbraw/zinc/08/47/35/543084735.db2.gz PNRZXYNHXOSKEV-UHFFFAOYSA-N 1 1 365.390 2.403 20 5 FEBDMO CC[N@H+]1CCc2nc(NC(=O)c3cc(F)cc([N+](=O)[O-])c3N)sc2C1 ZINC000102889078 543084737 /nfs/dbraw/zinc/08/47/37/543084737.db2.gz PNRZXYNHXOSKEV-UHFFFAOYSA-N 1 1 365.390 2.403 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000108326770 543286500 /nfs/dbraw/zinc/28/65/00/543286500.db2.gz RIYVUOJZIQSSCU-SNVBAGLBSA-N 1 1 373.356 2.276 20 5 FEBDMO Cc1c(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000108781681 543302362 /nfs/dbraw/zinc/30/23/62/543302362.db2.gz DLQNWOICJAJOAL-GFCCVEGCSA-N 1 1 362.386 2.334 20 5 FEBDMO COc1ccc(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000109751183 543335891 /nfs/dbraw/zinc/33/58/91/543335891.db2.gz BCLBKQIJJHGJQT-KRWDZBQOSA-N 1 1 362.474 2.205 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000109987170 543345505 /nfs/dbraw/zinc/34/55/05/543345505.db2.gz IKLDQANEDPJOKK-CHWSQXEVSA-N 1 1 372.425 2.287 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C ZINC000110559706 543360324 /nfs/dbraw/zinc/36/03/24/543360324.db2.gz PVCTXOXJDOFBKE-GHMZBOCLSA-N 1 1 358.236 2.249 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@@H]1C ZINC000110559710 543360747 /nfs/dbraw/zinc/36/07/47/543360747.db2.gz PVCTXOXJDOFBKE-WDEREUQCSA-N 1 1 358.236 2.249 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000113986960 543500337 /nfs/dbraw/zinc/50/03/37/543500337.db2.gz MIKHHZHJANMHBI-KGLIPLIRSA-N 1 1 362.430 2.422 20 5 FEBDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000114186919 543506718 /nfs/dbraw/zinc/50/67/18/543506718.db2.gz BBSSODLFEBAGGI-GJZGRUSLSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000114186919 543506720 /nfs/dbraw/zinc/50/67/20/543506720.db2.gz BBSSODLFEBAGGI-GJZGRUSLSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000114186928 543507062 /nfs/dbraw/zinc/50/70/62/543507062.db2.gz BBSSODLFEBAGGI-HUUCEWRRSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000114186928 543507065 /nfs/dbraw/zinc/50/70/65/543507065.db2.gz BBSSODLFEBAGGI-HUUCEWRRSA-N 1 1 351.403 2.167 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000114467544 543518612 /nfs/dbraw/zinc/51/86/12/543518612.db2.gz QHZIFJVIEYKWKT-FXAWDEMLSA-N 1 1 372.421 2.316 20 5 FEBDMO CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C)C1 ZINC000115275293 543557414 /nfs/dbraw/zinc/55/74/14/543557414.db2.gz NXIHSRXALKAVCD-CXAGYDPISA-N 1 1 364.446 2.165 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000117335564 543629832 /nfs/dbraw/zinc/62/98/32/543629832.db2.gz FUYRCLGGEHJKDF-ZDUSSCGKSA-N 1 1 361.398 2.394 20 5 FEBDMO C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3c([N+](=O)[O-])cnn3C)c2)C[C@@H](C)O1 ZINC000123758284 543781068 /nfs/dbraw/zinc/78/10/68/543781068.db2.gz XYODILRSOFUDEP-CHWSQXEVSA-N 1 1 373.413 2.190 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000126187664 543922998 /nfs/dbraw/zinc/92/29/98/543922998.db2.gz CFFAMAXQYBPFTJ-CHWSQXEVSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000126187664 543923000 /nfs/dbraw/zinc/92/30/00/543923000.db2.gz CFFAMAXQYBPFTJ-CHWSQXEVSA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1C ZINC000126218769 543924290 /nfs/dbraw/zinc/92/42/90/543924290.db2.gz MMJSVYZBSVYEHG-STQMWFEESA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C ZINC000126218769 543924293 /nfs/dbraw/zinc/92/42/93/543924293.db2.gz MMJSVYZBSVYEHG-STQMWFEESA-N 1 1 353.444 2.115 20 5 FEBDMO Cc1c(CC(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000128776562 544072745 /nfs/dbraw/zinc/07/27/45/544072745.db2.gz IIGARWPYUJGLJG-GASCZTMLSA-N 1 1 363.458 2.451 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@](O)(C(F)(F)F)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128847097 544076673 /nfs/dbraw/zinc/07/66/73/544076673.db2.gz UKBYTIJNLCKKLP-CYBMUJFWSA-N 1 1 365.283 2.062 20 5 FEBDMO CC1(C)NC(=O)N(CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1=O ZINC000130908416 544170355 /nfs/dbraw/zinc/17/03/55/544170355.db2.gz PTQJLKHHRQCZEW-UHFFFAOYSA-N 1 1 360.414 2.280 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000131531376 544193771 /nfs/dbraw/zinc/19/37/71/544193771.db2.gz NHMOBHMWYRHRET-XJKSGUPXSA-N 1 1 371.441 2.277 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000134402748 544306722 /nfs/dbraw/zinc/30/67/22/544306722.db2.gz OCYWQQRTWFDPAU-OAHLLOKOSA-N 1 1 353.419 2.271 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000134598429 544314639 /nfs/dbraw/zinc/31/46/39/544314639.db2.gz FAIODUBRPDODRG-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO NC(=O)c1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000134931514 544328442 /nfs/dbraw/zinc/32/84/42/544328442.db2.gz CUOKRCGSVSUBMZ-PBHICJAKSA-N 1 1 358.442 2.142 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)c2ncc([N+](=O)[O-])c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000150876657 544482377 /nfs/dbraw/zinc/48/23/77/544482377.db2.gz DJZMFJKRPYZLMY-HIFRSBDPSA-N 1 1 356.430 2.456 20 5 FEBDMO C[N@H+](CCC(=O)OC(C)(C)C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000150903455 544485317 /nfs/dbraw/zinc/48/53/17/544485317.db2.gz PEDJQETZOOAHKQ-HNNXBMFYSA-N 1 1 363.414 2.364 20 5 FEBDMO C[N@@H+](CCC(=O)OC(C)(C)C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000150903455 544485324 /nfs/dbraw/zinc/48/53/24/544485324.db2.gz PEDJQETZOOAHKQ-HNNXBMFYSA-N 1 1 363.414 2.364 20 5 FEBDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000153193900 544745821 /nfs/dbraw/zinc/74/58/21/544745821.db2.gz IHMVPEHADUSVNT-NSHDSACASA-N 1 1 370.247 2.358 20 5 FEBDMO CC(C)([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)NCC1CCCC1 ZINC000155047599 544981775 /nfs/dbraw/zinc/98/17/75/544981775.db2.gz DPIXNYAWSLODMC-UHFFFAOYSA-N 1 1 362.430 2.208 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)c1ccco1 ZINC000180533471 327689791 /nfs/dbraw/zinc/68/97/91/327689791.db2.gz SANKUKVEXUZFLU-RDJZCZTQSA-N 1 1 372.381 2.100 20 5 FEBDMO Cc1ccccc1C[NH+]1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180888097 327706452 /nfs/dbraw/zinc/70/64/52/327706452.db2.gz NKSMPDMQBAODCZ-UHFFFAOYSA-N 1 1 354.410 2.443 20 5 FEBDMO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187538113 328032260 /nfs/dbraw/zinc/03/22/60/328032260.db2.gz GZTMTJMSUWGMCC-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000187538113 328032261 /nfs/dbraw/zinc/03/22/61/328032261.db2.gz GZTMTJMSUWGMCC-UGSOOPFHSA-N 1 1 365.430 2.415 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000188228125 328074549 /nfs/dbraw/zinc/07/45/49/328074549.db2.gz BOFLMXSIBVZFSL-VXGBXAGGSA-N 1 1 359.423 2.133 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000189398708 328145662 /nfs/dbraw/zinc/14/56/62/328145662.db2.gz BJCNJUMJDJXTFP-UHFFFAOYSA-N 1 1 353.444 2.159 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCOCC1 ZINC000189398708 328145663 /nfs/dbraw/zinc/14/56/63/328145663.db2.gz BJCNJUMJDJXTFP-UHFFFAOYSA-N 1 1 353.444 2.159 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])C1 ZINC000190032839 328183635 /nfs/dbraw/zinc/18/36/35/328183635.db2.gz BZSGBWGUOLRJGN-AWEZNQCLSA-N 1 1 355.460 2.174 20 5 FEBDMO CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000191359101 328261866 /nfs/dbraw/zinc/26/18/66/328261866.db2.gz WVXSFFIYMVYJLS-CQSZACIVSA-N 1 1 350.419 2.132 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000191650281 328275817 /nfs/dbraw/zinc/27/58/17/328275817.db2.gz VTMFDACEFPSTGL-AWEZNQCLSA-N 1 1 359.430 2.452 20 5 FEBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000192029727 328295480 /nfs/dbraw/zinc/29/54/80/328295480.db2.gz HHHQQCBPRVWZNO-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000192029727 328295482 /nfs/dbraw/zinc/29/54/82/328295482.db2.gz HHHQQCBPRVWZNO-GHMZBOCLSA-N 1 1 356.810 2.167 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193586364 328383894 /nfs/dbraw/zinc/38/38/94/328383894.db2.gz BWLQSLBLAJBAPQ-CQSZACIVSA-N 1 1 355.398 2.087 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193586364 328383896 /nfs/dbraw/zinc/38/38/96/328383896.db2.gz BWLQSLBLAJBAPQ-CQSZACIVSA-N 1 1 355.398 2.087 20 5 FEBDMO Cc1cc(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000193629223 328386560 /nfs/dbraw/zinc/38/65/60/328386560.db2.gz CSBDSGITBFSVMN-QGZVFWFLSA-N 1 1 363.462 2.297 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000193870485 328399703 /nfs/dbraw/zinc/39/97/03/328399703.db2.gz RHJODCNMGAMJMK-CQSZACIVSA-N 1 1 364.402 2.047 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c([N+](=O)[O-])c1 ZINC000193870485 328399705 /nfs/dbraw/zinc/39/97/05/328399705.db2.gz RHJODCNMGAMJMK-CQSZACIVSA-N 1 1 364.402 2.047 20 5 FEBDMO Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000029631098 324449955 /nfs/dbraw/zinc/44/99/55/324449955.db2.gz XUIBYHUIIKAQLM-GOSISDBHSA-N 1 1 371.437 2.465 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080080431 325117190 /nfs/dbraw/zinc/11/71/90/325117190.db2.gz AHFSKVPGXALBKK-UHFFFAOYSA-N 1 1 352.435 2.097 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000085620401 325256960 /nfs/dbraw/zinc/25/69/60/325256960.db2.gz VHZYZVFPFLOIGQ-GFCCVEGCSA-N 1 1 350.419 2.301 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000089152868 325304331 /nfs/dbraw/zinc/30/43/31/325304331.db2.gz FQSRVTVLFDPYED-DLBZAZTESA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)cccc1[N+](=O)[O-] ZINC000089152868 325304335 /nfs/dbraw/zinc/30/43/35/325304335.db2.gz FQSRVTVLFDPYED-DLBZAZTESA-N 1 1 363.414 2.112 20 5 FEBDMO CC[N@H+]1CC[C@H](CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116732576 326031686 /nfs/dbraw/zinc/03/16/86/326031686.db2.gz OCAPQYNSOCWJTH-GFCCVEGCSA-N 1 1 355.822 2.475 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118114536 326082162 /nfs/dbraw/zinc/08/21/62/326082162.db2.gz XIWVBFCTGRDAPQ-UHFFFAOYSA-N 1 1 356.810 2.035 20 5 FEBDMO O=C(C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000118866520 326109821 /nfs/dbraw/zinc/10/98/21/326109821.db2.gz XIHMWOBAEMJIGD-HNNXBMFYSA-N 1 1 367.409 2.065 20 5 FEBDMO O=C(C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)N1CCc2ccccc21 ZINC000118866520 326109825 /nfs/dbraw/zinc/10/98/25/326109825.db2.gz XIHMWOBAEMJIGD-HNNXBMFYSA-N 1 1 367.409 2.065 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H](Cn4ccnn4)C3)n2)cc1 ZINC000119249489 326141742 /nfs/dbraw/zinc/14/17/42/326141742.db2.gz LUZYPZFYWYRHGU-ZDUSSCGKSA-N 1 1 369.385 2.149 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H](Cn4ccnn4)C3)n2)cc1 ZINC000119249489 326141744 /nfs/dbraw/zinc/14/17/44/326141744.db2.gz LUZYPZFYWYRHGU-ZDUSSCGKSA-N 1 1 369.385 2.149 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000119877902 326207800 /nfs/dbraw/zinc/20/78/00/326207800.db2.gz RHSHOTGYQDFFKJ-CYBMUJFWSA-N 1 1 353.444 2.157 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000120625880 326274034 /nfs/dbraw/zinc/27/40/34/326274034.db2.gz IIAVQJLWRMOHTP-GXFFZTMASA-N 1 1 350.375 2.224 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000121766127 326365094 /nfs/dbraw/zinc/36/50/94/326365094.db2.gz FTRGAXCRYINGHZ-ZDUSSCGKSA-N 1 1 360.414 2.009 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000122170419 326386527 /nfs/dbraw/zinc/38/65/27/326386527.db2.gz XHKABQBELVZLOY-GOEBONIOSA-N 1 1 374.441 2.093 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122347896 326393383 /nfs/dbraw/zinc/39/33/83/326393383.db2.gz XJMNXUDVPWQHNL-UKRRQHHQSA-N 1 1 353.444 2.008 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000122421614 326396063 /nfs/dbraw/zinc/39/60/63/326396063.db2.gz IHHBWEXPUPPJOC-UKRRQHHQSA-N 1 1 353.444 2.008 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@@H](C)[NH2+]1 ZINC000123891667 326444287 /nfs/dbraw/zinc/44/42/87/326444287.db2.gz JDRJFWAOWXUEGN-HTQZYQBOSA-N 1 1 368.242 2.273 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000129507386 326541623 /nfs/dbraw/zinc/54/16/23/326541623.db2.gz XHSTYPXRUQRAKB-AWEZNQCLSA-N 1 1 369.468 2.379 20 5 FEBDMO CCOCC[NH+]1CCN(Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000153540799 326735449 /nfs/dbraw/zinc/73/54/49/326735449.db2.gz INBXIBQVAMUVRD-UHFFFAOYSA-N 1 1 360.414 2.404 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC(n3cncn3)CC2)cccc1[N+](=O)[O-] ZINC000156583871 326836739 /nfs/dbraw/zinc/83/67/39/326836739.db2.gz CUGZKCOWZTZFQN-ZDUSSCGKSA-N 1 1 358.402 2.159 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000160237592 326958389 /nfs/dbraw/zinc/95/83/89/326958389.db2.gz QHGVSTUZBZPCGI-UHFFFAOYSA-N 1 1 365.430 2.034 20 5 FEBDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000162185411 327018893 /nfs/dbraw/zinc/01/88/93/327018893.db2.gz XXUBAENWHXVDCU-JTQLQIEISA-N 1 1 356.220 2.429 20 5 FEBDMO C[NH+](C)CCN(Cc1ccco1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000162220213 327020130 /nfs/dbraw/zinc/02/01/30/327020130.db2.gz VMIGGSVWWLILAH-UHFFFAOYSA-N 1 1 367.427 2.160 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCC[C@H](OCCO)C3)o2)c1 ZINC000172301544 327194164 /nfs/dbraw/zinc/19/41/64/327194164.db2.gz DUPRBKBSKZXGOZ-INIZCTEOSA-N 1 1 361.398 2.266 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000172485178 327203650 /nfs/dbraw/zinc/20/36/50/327203650.db2.gz AUMPGGCGFNOZAS-DOTOQJQBSA-N 1 1 371.441 2.303 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000173239862 327243308 /nfs/dbraw/zinc/24/33/08/327243308.db2.gz ZNJPWGVKOZQXKQ-WFASDCNBSA-N 1 1 355.460 2.118 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000173243022 327243657 /nfs/dbraw/zinc/24/36/57/327243657.db2.gz GGFXVZRTQNGLRK-SWLSCSKDSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)cc1[N+](=O)[O-] ZINC000173286814 327247144 /nfs/dbraw/zinc/24/71/44/327247144.db2.gz VRVRPHLPARVROT-QGZVFWFLSA-N 1 1 360.458 2.145 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173374797 327252583 /nfs/dbraw/zinc/25/25/83/327252583.db2.gz GLQBRAFOHWZPKS-CALCHBBNSA-N 1 1 374.485 2.154 20 5 FEBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1[N+](=O)[O-] ZINC000173532178 327264379 /nfs/dbraw/zinc/26/43/79/327264379.db2.gz BSEGBRFPDDRZNX-GFCCVEGCSA-N 1 1 371.846 2.191 20 5 FEBDMO Cc1c(NC(=O)CC[NH+]2CCN(Cc3ccon3)CC2)cccc1[N+](=O)[O-] ZINC000173625514 327272129 /nfs/dbraw/zinc/27/21/29/327272129.db2.gz HNOIVSRBGLUZKW-UHFFFAOYSA-N 1 1 373.413 2.038 20 5 FEBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000173799226 327284841 /nfs/dbraw/zinc/28/48/41/327284841.db2.gz UPIOSNGRBTZFIO-CYBMUJFWSA-N 1 1 372.425 2.240 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000173827671 327287062 /nfs/dbraw/zinc/28/70/62/327287062.db2.gz ILAWRDCIHDWZDI-ZIAGYGMSSA-N 1 1 353.444 2.151 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1CC ZINC000173828151 327287305 /nfs/dbraw/zinc/28/73/05/327287305.db2.gz JJHDEDZOXVDWHV-GOEBONIOSA-N 1 1 367.471 2.405 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000173920577 327294618 /nfs/dbraw/zinc/29/46/18/327294618.db2.gz AVZWNCZAEPXFPX-KBPBESRZSA-N 1 1 364.446 2.204 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000174538810 327333341 /nfs/dbraw/zinc/33/33/41/327333341.db2.gz VODGMJZGFYCHAE-LBPRGKRZSA-N 1 1 351.403 2.026 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175235542 327381787 /nfs/dbraw/zinc/38/17/87/327381787.db2.gz GQMCWSMQQTVWKY-NWDGAFQWSA-N 1 1 359.386 2.293 20 5 FEBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000262070523 328839934 /nfs/dbraw/zinc/83/99/34/328839934.db2.gz WTOYETCKYVTYHQ-INIZCTEOSA-N 1 1 371.393 2.399 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265558202 329138728 /nfs/dbraw/zinc/13/87/28/329138728.db2.gz RSRUVJLWFUZVML-CYBMUJFWSA-N 1 1 353.854 2.250 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000265966981 329177601 /nfs/dbraw/zinc/17/76/01/329177601.db2.gz SWXTVXXXEDUJDT-CYBMUJFWSA-N 1 1 365.430 2.462 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000266089491 329189142 /nfs/dbraw/zinc/18/91/42/329189142.db2.gz YIVIDQOWAITIGR-LJQANCHMSA-N 1 1 369.421 2.155 20 5 FEBDMO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000266089491 329189144 /nfs/dbraw/zinc/18/91/44/329189144.db2.gz YIVIDQOWAITIGR-LJQANCHMSA-N 1 1 369.421 2.155 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000266190969 329198701 /nfs/dbraw/zinc/19/87/01/329198701.db2.gz GANBNIDKZHZAKU-ZDUSSCGKSA-N 1 1 355.460 2.166 20 5 FEBDMO CCOc1ccc(C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000266563061 329236491 /nfs/dbraw/zinc/23/64/91/329236491.db2.gz YHTPYFIRSOVRDZ-QGZVFWFLSA-N 1 1 362.430 2.462 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267988188 329374418 /nfs/dbraw/zinc/37/44/18/329374418.db2.gz ZUMCGQDALGCGSW-QMMMGPOBSA-N 1 1 360.183 2.178 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c1OC ZINC000268168775 329392799 /nfs/dbraw/zinc/39/27/99/329392799.db2.gz IZDGMQRMEQGKOM-ZDUSSCGKSA-N 1 1 365.430 2.320 20 5 FEBDMO NC(=O)CCC1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000271276947 329679245 /nfs/dbraw/zinc/67/92/45/329679245.db2.gz YRIMHEAMVGKPBH-UHFFFAOYSA-N 1 1 359.386 2.122 20 5 FEBDMO O=C(NCC1CCN(c2cc[nH+]cc2)CC1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000272536382 329789380 /nfs/dbraw/zinc/78/93/80/329789380.db2.gz JYAMOFCGKZTCNJ-UHFFFAOYSA-N 1 1 356.382 2.342 20 5 FEBDMO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000279075261 330173155 /nfs/dbraw/zinc/17/31/55/330173155.db2.gz UMSQXZSOIGJXIZ-JTQLQIEISA-N 1 1 363.805 2.320 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cccc1[N+](=O)[O-] ZINC000367038861 330210147 /nfs/dbraw/zinc/21/01/47/330210147.db2.gz RSWQSHBHSFXZIP-WMLDXEAASA-N 1 1 374.441 2.222 20 5 FEBDMO CN(C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)(C)C[NH+]1CCOCC1 ZINC000414049727 330257616 /nfs/dbraw/zinc/25/76/16/330257616.db2.gz IIIREXJYFMBNMI-UHFFFAOYSA-N 1 1 360.414 2.259 20 5 FEBDMO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440840959 330276326 /nfs/dbraw/zinc/27/63/26/330276326.db2.gz CGQDLTAJVRDALB-GMSGAONNSA-N 1 1 368.242 2.178 20 5 FEBDMO Cc1ccc(N2CC[N@@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1Br ZINC000804613256 674293930 /nfs/dbraw/zinc/29/39/30/674293930.db2.gz OMILJWSXLZARLX-NSHDSACASA-N 1 1 356.220 2.187 20 5 FEBDMO Cc1ccc(N2CC[N@H+]3CCOC[C@@H]3C2)c([N+](=O)[O-])c1Br ZINC000804613256 674293932 /nfs/dbraw/zinc/29/39/32/674293932.db2.gz OMILJWSXLZARLX-NSHDSACASA-N 1 1 356.220 2.187 20 5 FEBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CCc2c[nH+]cn2C1 ZINC000804783185 674301070 /nfs/dbraw/zinc/30/10/70/674301070.db2.gz ZDCPVTWUZLPFGV-SECBINFHSA-N 1 1 372.353 2.215 20 5 FEBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000805120646 674320132 /nfs/dbraw/zinc/32/01/32/674320132.db2.gz BQPKLSIHJGKFIF-CYBMUJFWSA-N 1 1 373.431 2.377 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000555751243 674374927 /nfs/dbraw/zinc/37/49/27/674374927.db2.gz RPFXIHPNFXLSHD-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CO)CC2)c([N+](=O)[O-])c1 ZINC000555751243 674374930 /nfs/dbraw/zinc/37/49/30/674374930.db2.gz RPFXIHPNFXLSHD-OLZOCXBDSA-N 1 1 351.403 2.025 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000156016315 545592793 /nfs/dbraw/zinc/59/27/93/545592793.db2.gz IFODXLHFFODPMQ-LJQANCHMSA-N 1 1 369.421 2.467 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])ccc1Cl ZINC000156691311 545647538 /nfs/dbraw/zinc/64/75/38/545647538.db2.gz IEKWJDTZGMZXPL-ZDUSSCGKSA-N 1 1 355.822 2.215 20 5 FEBDMO Cc1ccc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000159399231 545950161 /nfs/dbraw/zinc/95/01/61/545950161.db2.gz RHJIWAJEEKSWHJ-HNNXBMFYSA-N 1 1 355.460 2.197 20 5 FEBDMO COCC[N@@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000159800304 545982185 /nfs/dbraw/zinc/98/21/85/545982185.db2.gz WERVBRSEIWDUFJ-UHFFFAOYSA-N 1 1 374.235 2.055 20 5 FEBDMO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[N@H+]1CCCC[C@H]1C ZINC000478568660 561169789 /nfs/dbraw/zinc/16/97/89/561169789.db2.gz XKOBTQQEWQWGMW-KGLIPLIRSA-N 1 1 372.429 2.168 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000170809350 546177746 /nfs/dbraw/zinc/17/77/46/546177746.db2.gz CJBKRTMIZYHYOD-ZDUSSCGKSA-N 1 1 353.444 2.157 20 5 FEBDMO CCOC(=O)c1c[nH+]ccc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000480087479 561202722 /nfs/dbraw/zinc/20/27/22/561202722.db2.gz OYRBXMOEPOGURN-LBPRGKRZSA-N 1 1 357.370 2.252 20 5 FEBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COC1CCOCC1 ZINC000176423284 546443876 /nfs/dbraw/zinc/44/38/76/546443876.db2.gz NLVQWQCSYUQAML-AWEZNQCLSA-N 1 1 358.822 2.237 20 5 FEBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)COC1CCOCC1 ZINC000176423284 546443879 /nfs/dbraw/zinc/44/38/79/546443879.db2.gz NLVQWQCSYUQAML-AWEZNQCLSA-N 1 1 358.822 2.237 20 5 FEBDMO CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000481617552 561237486 /nfs/dbraw/zinc/23/74/86/561237486.db2.gz UNVUPPQHGUHWOY-CHWSQXEVSA-N 1 1 362.430 2.158 20 5 FEBDMO C[N@@H+]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000178945296 546877609 /nfs/dbraw/zinc/87/76/09/546877609.db2.gz LFKUIUVBCGSMED-YOEHRIQHSA-N 1 1 361.423 2.319 20 5 FEBDMO C[N@H+]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000178945296 546877612 /nfs/dbraw/zinc/87/76/12/546877612.db2.gz LFKUIUVBCGSMED-YOEHRIQHSA-N 1 1 361.423 2.319 20 5 FEBDMO C[C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000178944510 546877870 /nfs/dbraw/zinc/87/78/70/546877870.db2.gz ZRBQSYSJSDZYCU-CABCVRRESA-N 1 1 369.487 2.177 20 5 FEBDMO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000180921180 547209718 /nfs/dbraw/zinc/20/97/18/547209718.db2.gz YPXXEYRENBRLIY-LLVKDONJSA-N 1 1 360.439 2.415 20 5 FEBDMO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])[N@H+]1CCc2sccc2C1 ZINC000180921180 547209724 /nfs/dbraw/zinc/20/97/24/547209724.db2.gz YPXXEYRENBRLIY-LLVKDONJSA-N 1 1 360.439 2.415 20 5 FEBDMO COC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCCC1 ZINC000483285422 561272974 /nfs/dbraw/zinc/27/29/74/561272974.db2.gz YMQGRMJRYVEHMF-UHFFFAOYSA-N 1 1 353.444 2.373 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181563141 547336357 /nfs/dbraw/zinc/33/63/57/547336357.db2.gz ADVRVYSONJXMKR-LBPRGKRZSA-N 1 1 373.356 2.037 20 5 FEBDMO CC(C)CCO[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181976379 547416546 /nfs/dbraw/zinc/41/65/46/547416546.db2.gz JXOZPOXZTYBMBG-JKSUJKDBSA-N 1 1 352.431 2.472 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H](O)CCc3ccccc3)C2)nc1 ZINC000182524640 547508638 /nfs/dbraw/zinc/50/86/38/547508638.db2.gz LNWSSGLSTMUDCD-FUHWJXTLSA-N 1 1 356.426 2.470 20 5 FEBDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC000183911748 547739138 /nfs/dbraw/zinc/73/91/38/547739138.db2.gz RRFUUWDKYCAXGG-OAHLLOKOSA-N 1 1 359.430 2.215 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000184176434 547781218 /nfs/dbraw/zinc/78/12/18/547781218.db2.gz NYMYYEWIYPJCSW-UHFFFAOYSA-N 1 1 368.865 2.394 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184193255 547784338 /nfs/dbraw/zinc/78/43/38/547784338.db2.gz KWWBBQDMSVPCIM-UHFFFAOYSA-N 1 1 368.865 2.394 20 5 FEBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000184375022 547816252 /nfs/dbraw/zinc/81/62/52/547816252.db2.gz NOAMMINYXZOWEK-MRXNPFEDSA-N 1 1 368.437 2.471 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000184770750 547877190 /nfs/dbraw/zinc/87/71/90/547877190.db2.gz OXFMSOYKXDTIEB-DZGCQCFKSA-N 1 1 367.421 2.310 20 5 FEBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)cs1 ZINC000185094103 547931615 /nfs/dbraw/zinc/93/16/15/547931615.db2.gz YNWGSEQSNHHFHT-UHFFFAOYSA-N 1 1 367.452 2.486 20 5 FEBDMO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000186042867 548076433 /nfs/dbraw/zinc/07/64/33/548076433.db2.gz QVLZBMRORMTWKT-LBPRGKRZSA-N 1 1 369.853 2.396 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000186496378 548143114 /nfs/dbraw/zinc/14/31/14/548143114.db2.gz JUZDBGATSFGERV-UHFFFAOYSA-N 1 1 352.341 2.053 20 5 FEBDMO Cc1c(C(=O)N(C)CC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000186801235 548196577 /nfs/dbraw/zinc/19/65/77/548196577.db2.gz SATVKIULCODFLQ-UHFFFAOYSA-N 1 1 350.375 2.286 20 5 FEBDMO COc1cccc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000193922390 548406996 /nfs/dbraw/zinc/40/69/96/548406996.db2.gz YPKRAXSIBHLVFC-BETUJISGSA-N 1 1 365.430 2.221 20 5 FEBDMO COc1cccc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000193922390 548407002 /nfs/dbraw/zinc/40/70/02/548407002.db2.gz YPKRAXSIBHLVFC-BETUJISGSA-N 1 1 365.430 2.221 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000194031659 548425148 /nfs/dbraw/zinc/42/51/48/548425148.db2.gz FSBCBUVNZVENDS-QGZVFWFLSA-N 1 1 370.409 2.336 20 5 FEBDMO C[NH+](C)[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000194315086 548464265 /nfs/dbraw/zinc/46/42/65/548464265.db2.gz FFVOJMLDPRIELK-OAHLLOKOSA-N 1 1 365.821 2.254 20 5 FEBDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000194869240 548543099 /nfs/dbraw/zinc/54/30/99/548543099.db2.gz NJAHDSLZVMESRN-GOSISDBHSA-N 1 1 363.414 2.105 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000487163934 561365306 /nfs/dbraw/zinc/36/53/06/561365306.db2.gz WXMLDPYNDBAZTN-ZIAGYGMSSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](S(=O)(=O)N2CCCC2)C1 ZINC000487163934 561365307 /nfs/dbraw/zinc/36/53/07/561365307.db2.gz WXMLDPYNDBAZTN-ZIAGYGMSSA-N 1 1 353.444 2.156 20 5 FEBDMO CC(C)[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000487953546 561379779 /nfs/dbraw/zinc/37/97/79/561379779.db2.gz RISSLKYOKDHZMR-OAHLLOKOSA-N 1 1 354.838 2.459 20 5 FEBDMO Cc1ccc([C@H](C)NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245840403 549002038 /nfs/dbraw/zinc/00/20/38/549002038.db2.gz CIEGBDOEMZYYAN-ZNMIVQPWSA-N 1 1 364.446 2.061 20 5 FEBDMO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H](O)COC[C@H]1CCCO1)C1CC1 ZINC000246555985 549160978 /nfs/dbraw/zinc/16/09/78/549160978.db2.gz KQFDIIWDNQMYJN-DLBZAZTESA-N 1 1 350.415 2.116 20 5 FEBDMO O=C(N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000246808427 549218229 /nfs/dbraw/zinc/21/82/29/549218229.db2.gz RVMYNKOFFJRQEX-HKUYNNGSSA-N 1 1 369.421 2.208 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248433364 549436404 /nfs/dbraw/zinc/43/64/04/549436404.db2.gz XFOXNBZCJOGMFC-DZGCQCFKSA-N 1 1 355.460 2.087 20 5 FEBDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248478022 549447705 /nfs/dbraw/zinc/44/77/05/549447705.db2.gz ZAWBHXKGGXVMKS-UKRRQHHQSA-N 1 1 360.414 2.077 20 5 FEBDMO Cc1c(F)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000248477331 549447884 /nfs/dbraw/zinc/44/78/84/549447884.db2.gz OQMCGUCTGBTBCI-QMTHXVAHSA-N 1 1 359.423 2.003 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000249238335 549572250 /nfs/dbraw/zinc/57/22/50/549572250.db2.gz WJCYGILVOFCKLP-STQMWFEESA-N 1 1 371.459 2.002 20 5 FEBDMO O=C([C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000255555412 549707736 /nfs/dbraw/zinc/70/77/36/549707736.db2.gz XXJNNFASJFUPRX-SVEBXFOSSA-N 1 1 359.426 2.179 20 5 FEBDMO O=C(CNc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262067603 549785319 /nfs/dbraw/zinc/78/53/19/549785319.db2.gz WNNNBCLBVBPBLM-QGZVFWFLSA-N 1 1 358.373 2.319 20 5 FEBDMO Cc1nn(CCC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263702114 549922257 /nfs/dbraw/zinc/92/22/57/549922257.db2.gz UONGHXNAMKVBEK-KRWDZBQOSA-N 1 1 371.441 2.314 20 5 FEBDMO Cc1nn(CCC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000263702114 549922259 /nfs/dbraw/zinc/92/22/59/549922259.db2.gz UONGHXNAMKVBEK-KRWDZBQOSA-N 1 1 371.441 2.314 20 5 FEBDMO CC(C)OCC[NH+]1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000268470612 550071825 /nfs/dbraw/zinc/07/18/25/550071825.db2.gz HYTCNWUKXHFMAZ-UHFFFAOYSA-N 1 1 373.251 2.299 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000269666087 550215226 /nfs/dbraw/zinc/21/52/26/550215226.db2.gz JLEGGPSEQZZORW-ZFWWWQNUSA-N 1 1 364.446 2.475 20 5 FEBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000270658176 550293965 /nfs/dbraw/zinc/29/39/65/550293965.db2.gz NFAGLNJABQAYSE-OAHLLOKOSA-N 1 1 361.398 2.308 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCCO1 ZINC000270709809 550299301 /nfs/dbraw/zinc/29/93/01/550299301.db2.gz HTBPWPVXXBHOGQ-CQSZACIVSA-N 1 1 351.403 2.433 20 5 FEBDMO C[C@@H]1C[C@H](NC(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000270973283 550327496 /nfs/dbraw/zinc/32/74/96/550327496.db2.gz UFJWCUZTDJEDLX-UKRRQHHQSA-N 1 1 357.414 2.111 20 5 FEBDMO COCCCOCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000271546992 550384510 /nfs/dbraw/zinc/38/45/10/550384510.db2.gz KULOEMWOSFHPNA-UHFFFAOYSA-N 1 1 353.419 2.217 20 5 FEBDMO Cc1cc(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1 ZINC000271601293 550388601 /nfs/dbraw/zinc/38/86/01/550388601.db2.gz IGVNEVICXPBHSB-UHFFFAOYSA-N 1 1 357.414 2.469 20 5 FEBDMO Cc1cc(C2CC[NH+](CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)[nH]n1 ZINC000271601293 550388603 /nfs/dbraw/zinc/38/86/03/550388603.db2.gz IGVNEVICXPBHSB-UHFFFAOYSA-N 1 1 357.414 2.469 20 5 FEBDMO CCCC[N@@H+](CCCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000271694564 550395806 /nfs/dbraw/zinc/39/58/06/550395806.db2.gz FZJUDHOGGUQHPF-UHFFFAOYSA-N 1 1 353.419 2.417 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]CCCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000272509071 550453978 /nfs/dbraw/zinc/45/39/78/550453978.db2.gz IOSLXUVCTPGTES-QGZVFWFLSA-N 1 1 357.414 2.020 20 5 FEBDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000272521064 550455261 /nfs/dbraw/zinc/45/52/61/550455261.db2.gz PXHNNOONLFWLMO-QWHCGFSZSA-N 1 1 353.423 2.026 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@H]2C1 ZINC000272550188 550457349 /nfs/dbraw/zinc/45/73/49/550457349.db2.gz CYJCTYSUUQNRHX-BEFAXECRSA-N 1 1 372.469 2.364 20 5 FEBDMO Cn1ccnc1[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272566947 550458164 /nfs/dbraw/zinc/45/81/64/550458164.db2.gz VFXFBHPWSVTLHS-RDTXWAMCSA-N 1 1 355.442 2.492 20 5 FEBDMO C[C@@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000272846078 550473299 /nfs/dbraw/zinc/47/32/99/550473299.db2.gz GXCODDNUDSFKBS-CYBMUJFWSA-N 1 1 355.398 2.161 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277234368 550646183 /nfs/dbraw/zinc/64/61/83/550646183.db2.gz OZODQCVFINLVKD-CQSZACIVSA-N 1 1 364.446 2.348 20 5 FEBDMO COc1ccc(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277507788 550678938 /nfs/dbraw/zinc/67/89/38/550678938.db2.gz PWOXXKBYZQIXHP-ZDUSSCGKSA-N 1 1 366.418 2.226 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)Cc2ccccc2[N+](=O)[O-])CCCO1 ZINC000277629729 550694229 /nfs/dbraw/zinc/69/42/29/550694229.db2.gz JHBAYJUEDVHQTC-OAHLLOKOSA-N 1 1 364.446 2.237 20 5 FEBDMO COCCO[C@@H]1C[C@@H](CO)C[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000278253800 550765580 /nfs/dbraw/zinc/76/55/80/550765580.db2.gz HOPNPSREEBRQGS-BFYDXBDKSA-N 1 1 352.431 2.310 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000278601954 550803179 /nfs/dbraw/zinc/80/31/79/550803179.db2.gz FRIGIIOAMKTWQE-LRDDRELGSA-N 1 1 374.445 2.343 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000279342872 550879894 /nfs/dbraw/zinc/87/98/94/550879894.db2.gz PXHUDKWANMJAFF-SJKOYZFVSA-N 1 1 363.414 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280102460 550960979 /nfs/dbraw/zinc/96/09/79/550960979.db2.gz PDKPTVMBZYYXKB-SJKOYZFVSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000280102460 550960980 /nfs/dbraw/zinc/96/09/80/550960980.db2.gz PDKPTVMBZYYXKB-SJKOYZFVSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000280355840 550984579 /nfs/dbraw/zinc/98/45/79/550984579.db2.gz IQCCWISXGGJESP-RDTXWAMCSA-N 1 1 363.414 2.112 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH+](Cc3cccc(C)c3)CC2)n1 ZINC000281022203 551055646 /nfs/dbraw/zinc/05/56/46/551055646.db2.gz SJZFDJGPXGURRR-UHFFFAOYSA-N 1 1 370.409 2.407 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000281085377 551061912 /nfs/dbraw/zinc/06/19/12/551061912.db2.gz RWKNZQZNHQVJGI-NVXWUHKLSA-N 1 1 369.425 2.243 20 5 FEBDMO CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCO1 ZINC000281413576 551094349 /nfs/dbraw/zinc/09/43/49/551094349.db2.gz OHYBUGSDEKTALJ-ZDUSSCGKSA-N 1 1 351.403 2.433 20 5 FEBDMO C[N@H+]1CCN(CCNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000281667372 551128397 /nfs/dbraw/zinc/12/83/97/551128397.db2.gz CZAVFJHBDYKRHM-UHFFFAOYSA-N 1 1 354.838 2.004 20 5 FEBDMO COCCn1cc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000281864637 551150329 /nfs/dbraw/zinc/15/03/29/551150329.db2.gz CEGAWRUWCQUNMG-UHFFFAOYSA-N 1 1 356.329 2.329 20 5 FEBDMO CC[N@H+](CCOCCO)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282171889 551190021 /nfs/dbraw/zinc/19/00/21/551190021.db2.gz VEKYQPQYLZSLEO-GFCCVEGCSA-N 1 1 350.375 2.037 20 5 FEBDMO CC[N@@H+](CCOCCO)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282171889 551190023 /nfs/dbraw/zinc/19/00/23/551190023.db2.gz VEKYQPQYLZSLEO-GFCCVEGCSA-N 1 1 350.375 2.037 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc([N+](=O)[O-])ccc1SCCO ZINC000497649090 561505530 /nfs/dbraw/zinc/50/55/30/561505530.db2.gz JECBAAFCVNCNOU-GJZGRUSLSA-N 1 1 365.455 2.036 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F ZINC000283750851 551421683 /nfs/dbraw/zinc/42/16/83/551421683.db2.gz OMRQUYQNTPJFLX-YGRLFVJLSA-N 1 1 350.394 2.012 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000498557605 561528509 /nfs/dbraw/zinc/52/85/09/561528509.db2.gz WGAVEEIJWSTOPF-NWDGAFQWSA-N 1 1 351.403 2.167 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000498557608 561528524 /nfs/dbraw/zinc/52/85/24/561528524.db2.gz WGAVEEIJWSTOPF-VXGBXAGGSA-N 1 1 351.403 2.167 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc([N+](=O)[O-])c1F ZINC000285236466 551724716 /nfs/dbraw/zinc/72/47/16/551724716.db2.gz BLNIIBLTIBVDML-FUNVUKJBSA-N 1 1 371.434 2.288 20 5 FEBDMO CCOC1CC2(C1)CC[N@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000285382483 551747209 /nfs/dbraw/zinc/74/72/09/551747209.db2.gz CULQPAUKTHVRCF-UHFFFAOYSA-N 1 1 359.426 2.375 20 5 FEBDMO CCOC1CC2(C1)CC[N@@H+](CC(=O)N1CCc3cc([N+](=O)[O-])ccc31)C2 ZINC000285382483 551747210 /nfs/dbraw/zinc/74/72/10/551747210.db2.gz CULQPAUKTHVRCF-UHFFFAOYSA-N 1 1 359.426 2.375 20 5 FEBDMO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285394597 551749144 /nfs/dbraw/zinc/74/91/44/551749144.db2.gz AKXRLSLZFMCKFY-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000285394597 551749146 /nfs/dbraw/zinc/74/91/46/551749146.db2.gz AKXRLSLZFMCKFY-AWEZNQCLSA-N 1 1 362.430 2.222 20 5 FEBDMO CCOc1ccc(NC(=O)CN2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000498928056 561538228 /nfs/dbraw/zinc/53/82/28/561538228.db2.gz HUKGHZMKDQKOHO-ZIAGYGMSSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286189088 551859031 /nfs/dbraw/zinc/85/90/31/551859031.db2.gz XLCSSOKCFZOZPX-GXTWGEPZSA-N 1 1 353.394 2.038 20 5 FEBDMO COc1cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286189088 551859032 /nfs/dbraw/zinc/85/90/32/551859032.db2.gz XLCSSOKCFZOZPX-GXTWGEPZSA-N 1 1 353.394 2.038 20 5 FEBDMO CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286252103 551865800 /nfs/dbraw/zinc/86/58/00/551865800.db2.gz PELVJXSPDOUVCD-ZHZIRGLKSA-N 1 1 372.425 2.171 20 5 FEBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)n1 ZINC000286702914 551916590 /nfs/dbraw/zinc/91/65/90/551916590.db2.gz KHGOWOXTOIIWKK-HNNXBMFYSA-N 1 1 370.409 2.140 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288573678 552177462 /nfs/dbraw/zinc/17/74/62/552177462.db2.gz BMJNBKNUCPDLHC-CQSZACIVSA-N 1 1 372.377 2.208 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288573678 552177463 /nfs/dbraw/zinc/17/74/63/552177463.db2.gz BMJNBKNUCPDLHC-CQSZACIVSA-N 1 1 372.377 2.208 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000288658718 552193394 /nfs/dbraw/zinc/19/33/94/552193394.db2.gz AMTBFLZARIEXKK-ZDUSSCGKSA-N 1 1 350.419 2.078 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000288735228 552203143 /nfs/dbraw/zinc/20/31/43/552203143.db2.gz FFPFNKGNYQJQGC-HNNXBMFYSA-N 1 1 372.377 2.208 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCC3(C2)Oc2ccccc2O3)c1 ZINC000288735228 552203146 /nfs/dbraw/zinc/20/31/46/552203146.db2.gz FFPFNKGNYQJQGC-HNNXBMFYSA-N 1 1 372.377 2.208 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000288772678 552209859 /nfs/dbraw/zinc/20/98/59/552209859.db2.gz JTPOFNYHQZSGCA-NSHDSACASA-N 1 1 370.837 2.423 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000288864690 552226999 /nfs/dbraw/zinc/22/69/99/552226999.db2.gz LHQKZELLPZDGSY-IRXDYDNUSA-N 1 1 373.457 2.415 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000289402841 552315494 /nfs/dbraw/zinc/31/54/94/552315494.db2.gz AENISXISCXDCDC-NXHRZFHOSA-N 1 1 362.426 2.368 20 5 FEBDMO C[C@@H]1CN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000500437224 561572939 /nfs/dbraw/zinc/57/29/39/561572939.db2.gz PDLCETHDJVBZMS-CVEARBPZSA-N 1 1 371.441 2.303 20 5 FEBDMO C[C@]1(C[C@@H]2CCC[N@H+]2CC=Cc2ccccc2[N+](=O)[O-])NC(=O)NC1=O ZINC000289623598 552351670 /nfs/dbraw/zinc/35/16/70/552351670.db2.gz LQFFZDTYDIVCEI-RXOXKVCUSA-N 1 1 358.398 2.061 20 5 FEBDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000289727460 552368992 /nfs/dbraw/zinc/36/89/92/552368992.db2.gz HIAWZRAGRAMPSP-QGZVFWFLSA-N 1 1 353.419 2.302 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000289771070 552376024 /nfs/dbraw/zinc/37/60/24/552376024.db2.gz GLBLNMGPVFLCPY-GJZGRUSLSA-N 1 1 366.805 2.131 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000290761041 552533450 /nfs/dbraw/zinc/53/34/50/552533450.db2.gz ZVHOOUSCHGUGJD-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CN(CCCN(C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CC[NH+](C)C ZINC000290761041 552533453 /nfs/dbraw/zinc/53/34/53/552533453.db2.gz ZVHOOUSCHGUGJD-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000291615377 552643488 /nfs/dbraw/zinc/64/34/88/552643488.db2.gz BOKSTHRURHZFCY-HNNXBMFYSA-N 1 1 373.862 2.273 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C2CCC2)C1 ZINC000292093987 552693319 /nfs/dbraw/zinc/69/33/19/552693319.db2.gz STKWJPPQIBNZOK-ZDUSSCGKSA-N 1 1 353.444 2.090 20 5 FEBDMO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000292178046 552701744 /nfs/dbraw/zinc/70/17/44/552701744.db2.gz JFIDAVGSUBCBBJ-QGZVFWFLSA-N 1 1 371.441 2.210 20 5 FEBDMO CC(C)[C@@]1(CO)CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000292930759 552772204 /nfs/dbraw/zinc/77/22/04/552772204.db2.gz CMCFFEBPQNLGEN-IBGZPJMESA-N 1 1 361.442 2.214 20 5 FEBDMO CC(C)[C@@]1(CO)CCC[N@@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000292930759 552772206 /nfs/dbraw/zinc/77/22/06/552772206.db2.gz CMCFFEBPQNLGEN-IBGZPJMESA-N 1 1 361.442 2.214 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293334471 552812419 /nfs/dbraw/zinc/81/24/19/552812419.db2.gz MVKIMPYAZFNICR-ZBFHGGJFSA-N 1 1 357.410 2.457 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293334471 552812420 /nfs/dbraw/zinc/81/24/20/552812420.db2.gz MVKIMPYAZFNICR-ZBFHGGJFSA-N 1 1 357.410 2.457 20 5 FEBDMO COc1ccc(F)c(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000293378233 552817364 /nfs/dbraw/zinc/81/73/64/552817364.db2.gz VUOAECJRILPJFD-UHFFFAOYSA-N 1 1 368.386 2.306 20 5 FEBDMO Cc1cc(F)c(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000296740353 553205483 /nfs/dbraw/zinc/20/54/83/553205483.db2.gz NCXJBKMEPGLRBJ-UHFFFAOYSA-N 1 1 367.425 2.190 20 5 FEBDMO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCn1cc([N+](=O)[O-])ccc1=O ZINC000503198768 561636493 /nfs/dbraw/zinc/63/64/93/561636493.db2.gz MVWFVVPPTXCAEG-DOTOQJQBSA-N 1 1 350.463 2.247 20 5 FEBDMO C[C@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297672034 553322857 /nfs/dbraw/zinc/32/28/57/553322857.db2.gz PCWVQDFEHAVCOY-HNNXBMFYSA-N 1 1 365.478 2.181 20 5 FEBDMO C[C@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000297672034 553322858 /nfs/dbraw/zinc/32/28/58/553322858.db2.gz PCWVQDFEHAVCOY-HNNXBMFYSA-N 1 1 365.478 2.181 20 5 FEBDMO Cc1cc(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000297803019 553340823 /nfs/dbraw/zinc/34/08/23/553340823.db2.gz IAQUJGHAMXMJHF-OCCSQVGLSA-N 1 1 362.430 2.078 20 5 FEBDMO Cc1c(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000298393234 553420037 /nfs/dbraw/zinc/42/00/37/553420037.db2.gz MDTSMBHPLVOEJR-KRWDZBQOSA-N 1 1 363.462 2.297 20 5 FEBDMO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H](O)c1cccc(Br)c1 ZINC000298410934 553422115 /nfs/dbraw/zinc/42/21/15/553422115.db2.gz PCZKZSOJOFJPRI-CYBMUJFWSA-N 1 1 369.219 2.219 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](CC2CCC2)[C@@H](C)CO)c([N+](=O)[O-])c1 ZINC000298633942 553452329 /nfs/dbraw/zinc/45/23/29/553452329.db2.gz WCTWTLFABAKGRJ-ZDUSSCGKSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)CC1 ZINC000298999708 553501591 /nfs/dbraw/zinc/50/15/91/553501591.db2.gz JVDQRUDBTBKHJB-CQSZACIVSA-N 1 1 373.457 2.080 20 5 FEBDMO COc1cc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000299093814 553514516 /nfs/dbraw/zinc/51/45/16/553514516.db2.gz ONTPMBPCDFHKOL-OLZOCXBDSA-N 1 1 365.430 2.462 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000299582195 553584388 /nfs/dbraw/zinc/58/43/88/553584388.db2.gz YWDPJIPQVIAMPO-IYBDPMFKSA-N 1 1 360.458 2.225 20 5 FEBDMO O=[N+]([O-])c1cnc(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(Cl)c1 ZINC000301253340 553636267 /nfs/dbraw/zinc/63/62/67/553636267.db2.gz CFWMQJFGAXTSBA-OAHLLOKOSA-N 1 1 362.817 2.474 20 5 FEBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000301669713 553670675 /nfs/dbraw/zinc/67/06/75/553670675.db2.gz PXJTYPDCVISKJG-ZBFHGGJFSA-N 1 1 372.429 2.059 20 5 FEBDMO CC[C@@H](Nc1ncc([N+](=O)[O-])c(N)n1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000301669713 553670677 /nfs/dbraw/zinc/67/06/77/553670677.db2.gz PXJTYPDCVISKJG-ZBFHGGJFSA-N 1 1 372.429 2.059 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(N3CCC[N@@H+](Cc4ccccc4)CC3)nn21 ZINC000301839089 553684799 /nfs/dbraw/zinc/68/47/99/553684799.db2.gz NWVNCJFXSJUNSS-UHFFFAOYSA-N 1 1 352.398 2.350 20 5 FEBDMO CC(C)C[N@H+]1CC[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301918895 553692155 /nfs/dbraw/zinc/69/21/55/553692155.db2.gz BQDZOEOSKHJBJC-LLVKDONJSA-N 1 1 361.489 2.450 20 5 FEBDMO Cc1ccnc(N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000302492215 553718313 /nfs/dbraw/zinc/71/83/13/553718313.db2.gz ZNAPZYKAVLSYSP-IBGZPJMESA-N 1 1 356.426 2.371 20 5 FEBDMO CCc1ccc([C@H]2CN(C(=O)c3nn(CC)cc3[N+](=O)[O-])CC[NH2+]2)cc1 ZINC000505461431 561671401 /nfs/dbraw/zinc/67/14/01/561671401.db2.gz RHVZIKKIQRRWFB-OAHLLOKOSA-N 1 1 357.414 2.160 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1cnc(N(C)C)nc1 ZINC000505487675 561671967 /nfs/dbraw/zinc/67/19/67/561671967.db2.gz JPYRDVHRBFVLFX-UHFFFAOYSA-N 1 1 372.429 2.220 20 5 FEBDMO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H](O)C[N@H+](C)C1CC1 ZINC000314610127 553759500 /nfs/dbraw/zinc/75/95/00/553759500.db2.gz YVWQUSYHEDABLQ-LBPRGKRZSA-N 1 1 359.220 2.500 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000330485276 554127741 /nfs/dbraw/zinc/12/77/41/554127741.db2.gz ARYCKTHKMACXOH-OLZOCXBDSA-N 1 1 371.459 2.002 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000330496133 554129364 /nfs/dbraw/zinc/12/93/64/554129364.db2.gz XWHZKFVXGYHFEB-TZMCWYRMSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000330496131 554129595 /nfs/dbraw/zinc/12/95/95/554129595.db2.gz XWHZKFVXGYHFEB-OCCSQVGLSA-N 1 1 355.460 2.302 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000330879788 554182339 /nfs/dbraw/zinc/18/23/39/554182339.db2.gz AYPLQHKYWMNOBO-ZIAGYGMSSA-N 1 1 355.460 2.254 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331378466 554254419 /nfs/dbraw/zinc/25/44/19/554254419.db2.gz LUSVRVANQDPWIS-CABCVRRESA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000331378466 554254424 /nfs/dbraw/zinc/25/44/24/554254424.db2.gz LUSVRVANQDPWIS-CABCVRRESA-N 1 1 374.441 2.256 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000331941933 554349629 /nfs/dbraw/zinc/34/96/29/554349629.db2.gz OEVHKUDRNKYIHT-QWHCGFSZSA-N 1 1 357.414 2.160 20 5 FEBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000509663863 561809733 /nfs/dbraw/zinc/80/97/33/561809733.db2.gz FHEMXHSQNLHFFD-CHWSQXEVSA-N 1 1 358.398 2.073 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)cc1[N+](=O)[O-] ZINC000332253766 554411042 /nfs/dbraw/zinc/41/10/42/554411042.db2.gz YNXTWCCIRPGQOQ-GJZGRUSLSA-N 1 1 367.471 2.316 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000360738114 554887861 /nfs/dbraw/zinc/88/78/61/554887861.db2.gz YVYRJYBDCZXAJZ-LSDHHAIUSA-N 1 1 367.833 2.160 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[N@H+]2CCCC[C@H]2CO1 ZINC000360738114 554887865 /nfs/dbraw/zinc/88/78/65/554887865.db2.gz YVYRJYBDCZXAJZ-LSDHHAIUSA-N 1 1 367.833 2.160 20 5 FEBDMO CNC(=O)c1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000361813557 554936019 /nfs/dbraw/zinc/93/60/19/554936019.db2.gz MEFJGFVNTDYXAT-ZBFHGGJFSA-N 1 1 362.430 2.010 20 5 FEBDMO COc1ccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000362222380 554956928 /nfs/dbraw/zinc/95/69/28/554956928.db2.gz YBAJEMLMWJOELI-QBIMZIAESA-N 1 1 360.414 2.244 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000362489823 554975495 /nfs/dbraw/zinc/97/54/95/554975495.db2.gz XBGRHWYSLCLSBA-JKSUJKDBSA-N 1 1 361.442 2.191 20 5 FEBDMO O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1)N1CCCC1 ZINC000363153904 555041797 /nfs/dbraw/zinc/04/17/97/555041797.db2.gz BMRPSHMUNDGBMO-UHFFFAOYSA-N 1 1 350.394 2.233 20 5 FEBDMO COc1cc(C(=O)N2CCC[N@@H+](CC(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000363537429 555131206 /nfs/dbraw/zinc/13/12/06/555131206.db2.gz YKOZKODKECCJGC-UHFFFAOYSA-N 1 1 365.430 2.416 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000364038880 555237960 /nfs/dbraw/zinc/23/79/60/555237960.db2.gz OHMZMQXTQXIHJR-MNOVXSKESA-N 1 1 369.805 2.310 20 5 FEBDMO COC(=O)c1cc([N+](=O)[O-])c(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000364038883 555238119 /nfs/dbraw/zinc/23/81/19/555238119.db2.gz OHMZMQXTQXIHJR-WDEREUQCSA-N 1 1 369.805 2.310 20 5 FEBDMO CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207923 555270221 /nfs/dbraw/zinc/27/02/21/555270221.db2.gz PXEDFEOUUGJMOH-ZDUSSCGKSA-N 1 1 366.849 2.147 20 5 FEBDMO CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000364207923 555270222 /nfs/dbraw/zinc/27/02/22/555270222.db2.gz PXEDFEOUUGJMOH-ZDUSSCGKSA-N 1 1 366.849 2.147 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364432145 555312979 /nfs/dbraw/zinc/31/29/79/555312979.db2.gz ASMFURAKINJFBR-HOTGVXAUSA-N 1 1 350.415 2.226 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000364448356 555316284 /nfs/dbraw/zinc/31/62/84/555316284.db2.gz QRFQMIVWKREEPN-CQSZACIVSA-N 1 1 358.341 2.204 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000364448356 555316289 /nfs/dbraw/zinc/31/62/89/555316289.db2.gz QRFQMIVWKREEPN-CQSZACIVSA-N 1 1 358.341 2.204 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000364598687 555348979 /nfs/dbraw/zinc/34/89/79/555348979.db2.gz JDHUZGNOKYHJQT-XYYAHUGASA-N 1 1 365.434 2.348 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000364598687 555348980 /nfs/dbraw/zinc/34/89/80/555348980.db2.gz JDHUZGNOKYHJQT-XYYAHUGASA-N 1 1 365.434 2.348 20 5 FEBDMO CCc1n[nH]c(C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000365222030 555515152 /nfs/dbraw/zinc/51/51/52/555515152.db2.gz QPTFSFWGTWCDTM-LBPRGKRZSA-N 1 1 358.402 2.300 20 5 FEBDMO CCc1[nH]nc(C(=O)N2CCC[C@H]2CNc2cccc(C)[nH+]2)c1[N+](=O)[O-] ZINC000365222030 555515158 /nfs/dbraw/zinc/51/51/58/555515158.db2.gz QPTFSFWGTWCDTM-LBPRGKRZSA-N 1 1 358.402 2.300 20 5 FEBDMO COc1cc(OCC(=O)N2CCC(n3c[nH+]cc3C)CC2)ccc1[N+](=O)[O-] ZINC000365566647 555611078 /nfs/dbraw/zinc/61/10/78/555611078.db2.gz UGTRTVZCKTUVKE-UHFFFAOYSA-N 1 1 374.397 2.351 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])n[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000513419575 561937611 /nfs/dbraw/zinc/93/76/11/561937611.db2.gz IPCKIWKSKLZIIU-HIFRSBDPSA-N 1 1 357.414 2.443 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000513708208 561947437 /nfs/dbraw/zinc/94/74/37/561947437.db2.gz ODVSFWOYNWWZBQ-LDZOIKDWSA-N 1 1 357.414 2.051 20 5 FEBDMO Cc1cnc([C@@H]2CCCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000366628771 555894708 /nfs/dbraw/zinc/89/47/08/555894708.db2.gz IDEJDNSRCQGRQC-KGLIPLIRSA-N 1 1 351.432 2.144 20 5 FEBDMO Cc1cnc([C@@H]2CCCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000366628771 555894711 /nfs/dbraw/zinc/89/47/11/555894711.db2.gz IDEJDNSRCQGRQC-KGLIPLIRSA-N 1 1 351.432 2.144 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCN(c3cncc(F)c3)CC2)c1 ZINC000366707852 555914686 /nfs/dbraw/zinc/91/46/86/555914686.db2.gz DTCIFMWVBCMMNU-SFHVURJKSA-N 1 1 360.389 2.375 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000514717514 561975833 /nfs/dbraw/zinc/97/58/33/561975833.db2.gz GNJBVDLCISQQHQ-UHFFFAOYSA-N 1 1 361.423 2.042 20 5 FEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367437471 556048803 /nfs/dbraw/zinc/04/88/03/556048803.db2.gz WNMUGOGPAWJRGI-KBXCAEBGSA-N 1 1 360.458 2.260 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000368003752 556192495 /nfs/dbraw/zinc/19/24/95/556192495.db2.gz AMFKCENGGLAWLH-WDYCEAGBSA-N 1 1 372.425 2.345 20 5 FEBDMO O=C(c1cc(F)c([N+](=O)[O-])cc1F)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000368101604 556219314 /nfs/dbraw/zinc/21/93/14/556219314.db2.gz ZVHVAOVONIXBRU-WBIUFABUSA-N 1 1 351.353 2.429 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)C2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] ZINC000368946686 556455980 /nfs/dbraw/zinc/45/59/80/556455980.db2.gz BDVONOOUIDAZFQ-UHFFFAOYSA-N 1 1 358.402 2.016 20 5 FEBDMO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000369064429 556494120 /nfs/dbraw/zinc/49/41/20/556494120.db2.gz MMNJBKDAYLANPU-GFCCVEGCSA-N 1 1 361.398 2.113 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000369928979 556733029 /nfs/dbraw/zinc/73/30/29/556733029.db2.gz GBAQPGZPIWEXGJ-GDBMZVCRSA-N 1 1 369.425 2.444 20 5 FEBDMO Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975607 556746231 /nfs/dbraw/zinc/74/62/31/556746231.db2.gz SQTPOLPPNNUIFZ-DOTOQJQBSA-N 1 1 360.414 2.177 20 5 FEBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000370233003 556817575 /nfs/dbraw/zinc/81/75/75/556817575.db2.gz LGBLRLWGRPUSTI-OAHLLOKOSA-N 1 1 372.446 2.199 20 5 FEBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000370233003 556817577 /nfs/dbraw/zinc/81/75/77/556817577.db2.gz LGBLRLWGRPUSTI-OAHLLOKOSA-N 1 1 372.446 2.199 20 5 FEBDMO NC(=O)C1([NH+]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)CC2)CCCC1 ZINC000370233782 556818418 /nfs/dbraw/zinc/81/84/18/556818418.db2.gz SHBGSDXXJXPCTE-UHFFFAOYSA-N 1 1 369.425 2.063 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cccc1[N+](=O)[O-] ZINC000370406533 556863122 /nfs/dbraw/zinc/86/31/22/556863122.db2.gz NIHLMGWNFPYJDY-IBGZPJMESA-N 1 1 374.441 2.176 20 5 FEBDMO COC(=O)[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1(C)C ZINC000370446645 556876143 /nfs/dbraw/zinc/87/61/43/556876143.db2.gz GCFRXZYUNBIFCY-GFCCVEGCSA-N 1 1 367.377 2.194 20 5 FEBDMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000370927436 557019017 /nfs/dbraw/zinc/01/90/17/557019017.db2.gz IHZULUYRBLUJQJ-CRAIPNDOSA-N 1 1 371.441 2.450 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@H]2[C@@H]1c1ccccc1 ZINC000371052488 557058847 /nfs/dbraw/zinc/05/88/47/557058847.db2.gz ILFAGLKDPXQEMM-XYPHTWIQSA-N 1 1 368.393 2.070 20 5 FEBDMO CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000371125410 557081832 /nfs/dbraw/zinc/08/18/32/557081832.db2.gz AIXSKHPXWIKJSA-HNNXBMFYSA-N 1 1 371.441 2.481 20 5 FEBDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000518648309 562115959 /nfs/dbraw/zinc/11/59/59/562115959.db2.gz ZNSRPJUAEWRBBE-CQSZACIVSA-N 1 1 365.430 2.145 20 5 FEBDMO C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])cn3C)c2)CCO1 ZINC000518676353 562116388 /nfs/dbraw/zinc/11/63/88/562116388.db2.gz ZNEJMJOKQBHGJT-CQSZACIVSA-N 1 1 372.425 2.084 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])cn3C)c2)CCO1 ZINC000518676353 562116389 /nfs/dbraw/zinc/11/63/89/562116389.db2.gz ZNEJMJOKQBHGJT-CQSZACIVSA-N 1 1 372.425 2.084 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000372170382 557398785 /nfs/dbraw/zinc/39/87/85/557398785.db2.gz RLAQMPOWSVALHE-HUUCEWRRSA-N 1 1 358.398 2.107 20 5 FEBDMO COC(=O)[C@@H]1C[C@@H](c2ccccc2)C[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000372170382 557398787 /nfs/dbraw/zinc/39/87/87/557398787.db2.gz RLAQMPOWSVALHE-HUUCEWRRSA-N 1 1 358.398 2.107 20 5 FEBDMO C[NH+]1CCN(CCCCNC(=O)C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000519577730 562135447 /nfs/dbraw/zinc/13/54/47/562135447.db2.gz WGFOMRJMIYOZDY-UHFFFAOYSA-N 1 1 362.474 2.016 20 5 FEBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000372734292 557549774 /nfs/dbraw/zinc/54/97/74/557549774.db2.gz BQHYEEVHXMEPHL-OAHLLOKOSA-N 1 1 365.411 2.108 20 5 FEBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000372734292 557549776 /nfs/dbraw/zinc/54/97/76/557549776.db2.gz BQHYEEVHXMEPHL-OAHLLOKOSA-N 1 1 365.411 2.108 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cnn(C)c1 ZINC000373081717 557624355 /nfs/dbraw/zinc/62/43/55/557624355.db2.gz SGSRVDHOSSMQBL-KSSFIOAISA-N 1 1 371.441 2.450 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000520224273 562151097 /nfs/dbraw/zinc/15/10/97/562151097.db2.gz XNHBVWRMBZABNQ-IOASZLSFSA-N 1 1 365.405 2.448 20 5 FEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@]2(CCCOC2)O1 ZINC000373809054 557763850 /nfs/dbraw/zinc/76/38/50/557763850.db2.gz HQOHMUWKKAMYSF-KBXCAEBGSA-N 1 1 363.414 2.193 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000374021716 557809404 /nfs/dbraw/zinc/80/94/04/557809404.db2.gz IMUGYAZPPXSNGL-XJKSGUPXSA-N 1 1 355.398 2.137 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374597696 557904408 /nfs/dbraw/zinc/90/44/08/557904408.db2.gz WBUWZPMNSGQOEY-HNNXBMFYSA-N 1 1 362.474 2.204 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000374597696 557904410 /nfs/dbraw/zinc/90/44/10/557904410.db2.gz WBUWZPMNSGQOEY-HNNXBMFYSA-N 1 1 362.474 2.204 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375318553 558008231 /nfs/dbraw/zinc/00/82/31/558008231.db2.gz KICWTODZGNXJJQ-RISCZKNCSA-N 1 1 355.358 2.244 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](n2cncn2)C1 ZINC000375318553 558008232 /nfs/dbraw/zinc/00/82/32/558008232.db2.gz KICWTODZGNXJJQ-RISCZKNCSA-N 1 1 355.358 2.244 20 5 FEBDMO Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375393643 558020206 /nfs/dbraw/zinc/02/02/06/558020206.db2.gz RGYISRAMHFPSEP-WMZOPIPTSA-N 1 1 374.441 2.485 20 5 FEBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000376201828 558140175 /nfs/dbraw/zinc/14/01/75/558140175.db2.gz XUMVWIPVHXQTRS-DGCLKSJQSA-N 1 1 357.357 2.496 20 5 FEBDMO COCCC[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000376319624 558157159 /nfs/dbraw/zinc/15/71/59/558157159.db2.gz QLDGXCSCNLBAIW-UHFFFAOYSA-N 1 1 350.419 2.479 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000521691901 562182270 /nfs/dbraw/zinc/18/22/70/562182270.db2.gz ZWVFMKKFTLZBDP-BETUJISGSA-N 1 1 355.460 2.444 20 5 FEBDMO CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000377225858 558293520 /nfs/dbraw/zinc/29/35/20/558293520.db2.gz YFIXENOAAZVJPS-YOEHRIQHSA-N 1 1 355.398 2.150 20 5 FEBDMO CCc1nc(CN2C[C@H]3C[NH+](Cc4csc([N+](=O)[O-])c4)C[C@@H]3C2)no1 ZINC000377439837 558341228 /nfs/dbraw/zinc/34/12/28/558341228.db2.gz PCAOQTFDNGAFQB-CHWSQXEVSA-N 1 1 363.443 2.166 20 5 FEBDMO Cc1cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000522416647 562198290 /nfs/dbraw/zinc/19/82/90/562198290.db2.gz MCQAGSRQTVFPGT-GXTWGEPZSA-N 1 1 355.460 2.302 20 5 FEBDMO Cc1ccc(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1[N+](=O)[O-] ZINC000377697975 558399552 /nfs/dbraw/zinc/39/95/52/558399552.db2.gz OVPOEFGNSHLTLF-UHFFFAOYSA-N 1 1 370.409 2.441 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000377766512 558415417 /nfs/dbraw/zinc/41/54/17/558415417.db2.gz FVGMIAKTQMRMPM-ROUUACIJSA-N 1 1 355.442 2.245 20 5 FEBDMO Cn1cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000378102209 558481609 /nfs/dbraw/zinc/48/16/09/558481609.db2.gz KADNTNKMFYLFNL-OAHLLOKOSA-N 1 1 352.398 2.366 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)C[C@@H]1C ZINC000408002371 558636975 /nfs/dbraw/zinc/63/69/75/558636975.db2.gz LXOXXAZLJUHRBL-VIFPVBQESA-N 1 1 356.220 2.442 20 5 FEBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)C[C@@H]1C ZINC000408002371 558636977 /nfs/dbraw/zinc/63/69/77/558636977.db2.gz LXOXXAZLJUHRBL-VIFPVBQESA-N 1 1 356.220 2.442 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)[C@@H](C)C1 ZINC000410853790 558817190 /nfs/dbraw/zinc/81/71/90/558817190.db2.gz KNPPOXSRNSXCCE-OKILXGFUSA-N 1 1 357.414 2.335 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000411254310 558861695 /nfs/dbraw/zinc/86/16/95/558861695.db2.gz FSYZIZXIFCPYSH-CQSZACIVSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc(NC(=O)CCN(C)[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000411254310 558861696 /nfs/dbraw/zinc/86/16/96/558861696.db2.gz FSYZIZXIFCPYSH-CQSZACIVSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc(NC(=O)CCN(C)[C@@H]2CC[N@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000411254310 558861697 /nfs/dbraw/zinc/86/16/97/558861697.db2.gz FSYZIZXIFCPYSH-CQSZACIVSA-N 1 1 362.430 2.101 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)C2CCC(CO)CC2)c([N+](=O)[O-])c1 ZINC000411397807 558887698 /nfs/dbraw/zinc/88/76/98/558887698.db2.gz IBPSPCXFCWEMHW-UHFFFAOYSA-N 1 1 365.430 2.415 20 5 FEBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000411413016 558890237 /nfs/dbraw/zinc/89/02/37/558890237.db2.gz YDRAWSSIDCFVPI-ZIAGYGMSSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C[C@H]1C ZINC000411413016 558890238 /nfs/dbraw/zinc/89/02/38/558890238.db2.gz YDRAWSSIDCFVPI-ZIAGYGMSSA-N 1 1 362.430 2.091 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000411428582 558893603 /nfs/dbraw/zinc/89/36/03/558893603.db2.gz QAGJFUNJJAGMLD-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000411428582 558893604 /nfs/dbraw/zinc/89/36/04/558893604.db2.gz QAGJFUNJJAGMLD-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000411428582 558893607 /nfs/dbraw/zinc/89/36/07/558893607.db2.gz QAGJFUNJJAGMLD-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000411601527 558927048 /nfs/dbraw/zinc/92/70/48/558927048.db2.gz ANWBWWQSPNGFCT-YNEHKIRRSA-N 1 1 351.403 2.430 20 5 FEBDMO O=C(CC[N@H+](CCO)[C@@H]1CCCSC1)Nc1ccccc1[N+](=O)[O-] ZINC000411672741 558940755 /nfs/dbraw/zinc/94/07/55/558940755.db2.gz VWJKPPZLFXLMST-CYBMUJFWSA-N 1 1 353.444 2.113 20 5 FEBDMO COC(=O)[C@H](CC(C)C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411758862 558957547 /nfs/dbraw/zinc/95/75/47/558957547.db2.gz OLNXTSGDNOZBNT-HNNXBMFYSA-N 1 1 351.403 2.443 20 5 FEBDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411758862 558957549 /nfs/dbraw/zinc/95/75/49/558957549.db2.gz OLNXTSGDNOZBNT-HNNXBMFYSA-N 1 1 351.403 2.443 20 5 FEBDMO COC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411812572 558968199 /nfs/dbraw/zinc/96/81/99/558968199.db2.gz YRVFMRMZYKCJCT-CYBMUJFWSA-N 1 1 351.403 2.433 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)c1 ZINC000412003520 559001359 /nfs/dbraw/zinc/00/13/59/559001359.db2.gz XGAXMCKDUZMGPV-ZWKOTPCHSA-N 1 1 372.425 2.006 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412047084 559006065 /nfs/dbraw/zinc/00/60/65/559006065.db2.gz ONMULTNKKXDGBY-XPCVCDNBSA-N 1 1 363.414 2.023 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412053938 559007065 /nfs/dbraw/zinc/00/70/65/559007065.db2.gz GYJWPTZSOSCLBN-GOEBONIOSA-N 1 1 374.441 2.399 20 5 FEBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412053938 559007066 /nfs/dbraw/zinc/00/70/66/559007066.db2.gz GYJWPTZSOSCLBN-GOEBONIOSA-N 1 1 374.441 2.399 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412056512 559007541 /nfs/dbraw/zinc/00/75/41/559007541.db2.gz ORUFKKCLJJFRJS-HNNXBMFYSA-N 1 1 374.441 2.319 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412056512 559007542 /nfs/dbraw/zinc/00/75/42/559007542.db2.gz ORUFKKCLJJFRJS-HNNXBMFYSA-N 1 1 374.441 2.319 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413305727 559097392 /nfs/dbraw/zinc/09/73/92/559097392.db2.gz VTRAYXGFDHBBFY-UHFFFAOYSA-N 1 1 363.384 2.328 20 5 FEBDMO CN(CCCN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F)CC[NH+](C)C ZINC000413305727 559097394 /nfs/dbraw/zinc/09/73/94/559097394.db2.gz VTRAYXGFDHBBFY-UHFFFAOYSA-N 1 1 363.384 2.328 20 5 FEBDMO CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1[N+](=O)[O-] ZINC000415098153 559205121 /nfs/dbraw/zinc/20/51/21/559205121.db2.gz UZPMKALIEWLENW-KRWDZBQOSA-N 1 1 356.426 2.441 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000416505697 559318422 /nfs/dbraw/zinc/31/84/22/559318422.db2.gz FCOMVYJFAVXXRL-UHFFFAOYSA-N 1 1 355.460 2.364 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416554253 559321413 /nfs/dbraw/zinc/32/14/13/559321413.db2.gz JMDIDVQCIWOIFQ-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000417142646 559349836 /nfs/dbraw/zinc/34/98/36/559349836.db2.gz STKIZVXJANPBSX-CXAGYDPISA-N 1 1 355.398 2.407 20 5 FEBDMO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000419338391 559438199 /nfs/dbraw/zinc/43/81/99/559438199.db2.gz ZGADHTVWLWGWHH-LSDHHAIUSA-N 1 1 351.447 2.269 20 5 FEBDMO CCC[C@@H]1CNCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420307826 559479650 /nfs/dbraw/zinc/47/96/50/559479650.db2.gz MTDYITPBODORNV-CQSZACIVSA-N 1 1 350.419 2.006 20 5 FEBDMO CCC[C@@H]1CNCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000420307826 559479651 /nfs/dbraw/zinc/47/96/51/559479651.db2.gz MTDYITPBODORNV-CQSZACIVSA-N 1 1 350.419 2.006 20 5 FEBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2C[NH2+]1 ZINC000420454801 559488407 /nfs/dbraw/zinc/48/84/07/559488407.db2.gz DULDKQJRVUCDDN-SNVBAGLBSA-N 1 1 353.425 2.343 20 5 FEBDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000421019011 559520074 /nfs/dbraw/zinc/52/00/74/559520074.db2.gz NAJIDJHPUPUWIS-KGLIPLIRSA-N 1 1 365.430 2.056 20 5 FEBDMO CCCN1C[C@@H](C[NH2+][C@H](c2nccn2C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421355808 559540010 /nfs/dbraw/zinc/54/00/10/559540010.db2.gz VHCCIPSWKYCEEH-KDOFPFPSSA-N 1 1 371.441 2.266 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000421714797 559550638 /nfs/dbraw/zinc/55/06/38/559550638.db2.gz WKIXWFMYJWZRKZ-AWEZNQCLSA-N 1 1 367.471 2.500 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCN(c2[nH+]ccn2C)CC1 ZINC000421868206 559555172 /nfs/dbraw/zinc/55/51/72/559555172.db2.gz HEUDMCORIAHHGQ-UHFFFAOYSA-N 1 1 357.414 2.344 20 5 FEBDMO Cn1ccnc1[C@H](N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000423544101 559631677 /nfs/dbraw/zinc/63/16/77/559631677.db2.gz NZOAAWWEYCIETF-YFHUEUNASA-N 1 1 355.442 2.395 20 5 FEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000423693291 559636128 /nfs/dbraw/zinc/63/61/28/559636128.db2.gz RVIJCTYTPNWDOX-ZDUSSCGKSA-N 1 1 360.183 2.131 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000424998107 559682805 /nfs/dbraw/zinc/68/28/05/559682805.db2.gz HOPSEUBIVPIJIT-UHFFFAOYSA-N 1 1 355.822 2.431 20 5 FEBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)[C@@H]2C1 ZINC000425047406 559685075 /nfs/dbraw/zinc/68/50/75/559685075.db2.gz MMXOPAHSPFCQTC-QFBILLFUSA-N 1 1 372.469 2.364 20 5 FEBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425394306 559699781 /nfs/dbraw/zinc/69/97/81/559699781.db2.gz KLZLRIGECKRDOU-GXSJLCMTSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425394306 559699782 /nfs/dbraw/zinc/69/97/82/559699782.db2.gz KLZLRIGECKRDOU-GXSJLCMTSA-N 1 1 356.220 2.443 20 5 FEBDMO C[C@@H]1OCC[C@H]1[N@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438112 559702329 /nfs/dbraw/zinc/70/23/29/559702329.db2.gz AAYCICMAHQSIDM-GXFFZTMASA-N 1 1 359.220 2.329 20 5 FEBDMO C[C@@H]1OCC[C@H]1[N@@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438112 559702330 /nfs/dbraw/zinc/70/23/30/559702330.db2.gz AAYCICMAHQSIDM-GXFFZTMASA-N 1 1 359.220 2.329 20 5 FEBDMO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425548547 559709160 /nfs/dbraw/zinc/70/91/60/559709160.db2.gz NBAPICSUOKJQKO-JQWIXIFHSA-N 1 1 355.358 2.313 20 5 FEBDMO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427779871 559762304 /nfs/dbraw/zinc/76/23/04/559762304.db2.gz IEHXAWDFNBFHCX-SDDRHHMPSA-N 1 1 353.806 2.036 20 5 FEBDMO COC(=O)C1([N@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000432039883 559850826 /nfs/dbraw/zinc/85/08/26/559850826.db2.gz MEROSRLSVSPWIE-UHFFFAOYSA-N 1 1 352.387 2.400 20 5 FEBDMO COC(=O)C1([N@@H+](C)CCOc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000432039883 559850827 /nfs/dbraw/zinc/85/08/27/559850827.db2.gz MEROSRLSVSPWIE-UHFFFAOYSA-N 1 1 352.387 2.400 20 5 FEBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433066647 559871085 /nfs/dbraw/zinc/87/10/85/559871085.db2.gz KKYFCJPDEQONCW-KBXCAEBGSA-N 1 1 357.410 2.457 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CCO)[C@@H]1CCCSC1 ZINC000433197513 559873455 /nfs/dbraw/zinc/87/34/55/559873455.db2.gz SIXRRIDZRYIQTK-CQSZACIVSA-N 1 1 353.444 2.032 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000433197513 559873456 /nfs/dbraw/zinc/87/34/56/559873456.db2.gz SIXRRIDZRYIQTK-CQSZACIVSA-N 1 1 353.444 2.032 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433323236 559877086 /nfs/dbraw/zinc/87/70/86/559877086.db2.gz VPLNLHVAYXRDJN-CZUORRHYSA-N 1 1 350.806 2.295 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000439886403 560001396 /nfs/dbraw/zinc/00/13/96/560001396.db2.gz GAOCSGAOPVWOET-ZDUSSCGKSA-N 1 1 366.418 2.083 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000440076339 560004304 /nfs/dbraw/zinc/00/43/04/560004304.db2.gz JEWPKWUPDOUEJZ-JSGCOSHPSA-N 1 1 355.460 2.302 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000440354732 560009354 /nfs/dbraw/zinc/00/93/54/560009354.db2.gz LIIRTSQHHAVZAS-MRVPVSSYSA-N 1 1 368.242 2.180 20 5 FEBDMO C[C@@]12C[N@H+]([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000448555952 560189877 /nfs/dbraw/zinc/18/98/77/560189877.db2.gz NSHANPLCDLUPSN-LHNCJSNSSA-N 1 1 367.405 2.371 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000448752368 560197865 /nfs/dbraw/zinc/19/78/65/560197865.db2.gz UZNNXTWXXLKBGW-CYBMUJFWSA-N 1 1 368.397 2.352 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000449386024 560228447 /nfs/dbraw/zinc/22/84/47/560228447.db2.gz HENZNTADSSGFEC-CQSZACIVSA-N 1 1 359.373 2.133 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCN2CCCO)c1 ZINC000449386024 560228448 /nfs/dbraw/zinc/22/84/48/560228448.db2.gz HENZNTADSSGFEC-CQSZACIVSA-N 1 1 359.373 2.133 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449398314 560229036 /nfs/dbraw/zinc/22/90/36/560229036.db2.gz XRGISQAEXRGFBR-CQSZACIVSA-N 1 1 359.373 2.133 20 5 FEBDMO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449398314 560229037 /nfs/dbraw/zinc/22/90/37/560229037.db2.gz XRGISQAEXRGFBR-CQSZACIVSA-N 1 1 359.373 2.133 20 5 FEBDMO CC[C@H]1CN(c2c3ccc(OC)cc3ncc2[N+](=O)[O-])CC[N@H+]1C[C@H](C)O ZINC000450310179 560257969 /nfs/dbraw/zinc/25/79/69/560257969.db2.gz CPUTZIRHNOLZLG-KBPBESRZSA-N 1 1 374.441 2.433 20 5 FEBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)nc1-c1ccccc1 ZINC000450588015 560267173 /nfs/dbraw/zinc/26/71/73/560267173.db2.gz ASOXXHBDFAGFBT-INIZCTEOSA-N 1 1 356.426 2.916 20 5 FEBDMO Cc1c(Br)c(N[C@H]2CCC[N@H+](CCCO)C2)ncc1[N+](=O)[O-] ZINC000450614946 560267961 /nfs/dbraw/zinc/26/79/61/560267961.db2.gz NPRSRWJJULGYQV-NSHDSACASA-N 1 1 373.251 2.319 20 5 FEBDMO Cc1c(Br)c(N[C@H]2CCC[N@@H+](CCCO)C2)ncc1[N+](=O)[O-] ZINC000450614946 560267962 /nfs/dbraw/zinc/26/79/62/560267962.db2.gz NPRSRWJJULGYQV-NSHDSACASA-N 1 1 373.251 2.319 20 5 FEBDMO Cc1cc(N[C@@H]2CCC[N@@H+](CCCO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000450612721 560268005 /nfs/dbraw/zinc/26/80/05/560268005.db2.gz KQSGFSILWFRGGC-MRXNPFEDSA-N 1 1 371.441 2.041 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccc(C(=O)c3nccn3C)cc2[N+](=O)[O-])C1 ZINC000450948148 560279561 /nfs/dbraw/zinc/27/95/61/560279561.db2.gz DRGWWICFPISOFH-OAHLLOKOSA-N 1 1 371.441 2.478 20 5 FEBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000451330584 560300638 /nfs/dbraw/zinc/30/06/38/560300638.db2.gz PYRJGHDYMBUDAW-GOSISDBHSA-N 1 1 366.414 2.394 20 5 FEBDMO CCS(=O)(=O)NCCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553149 560314453 /nfs/dbraw/zinc/31/44/53/560314453.db2.gz XPSXXJWIVXQKCB-OAHLLOKOSA-N 1 1 355.460 2.104 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000451622830 560317669 /nfs/dbraw/zinc/31/76/69/560317669.db2.gz AXGPSADYXPPMEP-CVEARBPZSA-N 1 1 359.426 2.475 20 5 FEBDMO CCOc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000452126231 560352948 /nfs/dbraw/zinc/35/29/48/560352948.db2.gz YQAZWLFPRIQTHT-CQSZACIVSA-N 1 1 364.446 2.347 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452125803 560352960 /nfs/dbraw/zinc/35/29/60/560352960.db2.gz JNGHMJTVRPKJAC-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](CCCO)C1 ZINC000452125803 560352961 /nfs/dbraw/zinc/35/29/61/560352961.db2.gz JNGHMJTVRPKJAC-STQMWFEESA-N 1 1 351.403 2.025 20 5 FEBDMO C[C@H](NC(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000452183279 560354841 /nfs/dbraw/zinc/35/48/41/560354841.db2.gz NVZNXRGFKLQERI-AWEZNQCLSA-N 1 1 371.441 2.418 20 5 FEBDMO CCN1CC[NH+](CC(C)(C)NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000454341978 560440912 /nfs/dbraw/zinc/44/09/12/560440912.db2.gz JDKXLOPVALSRJI-UHFFFAOYSA-N 1 1 367.425 2.272 20 5 FEBDMO CNc1nc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000456035083 560505095 /nfs/dbraw/zinc/50/50/95/560505095.db2.gz ANUWACJATBEMBO-XJKSGUPXSA-N 1 1 369.425 2.282 20 5 FEBDMO CCc1ccc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(NC)n3)CC[NH2+]2)cc1 ZINC000456073596 560506146 /nfs/dbraw/zinc/50/61/46/560506146.db2.gz VEERLQKVVQTOGA-MRXNPFEDSA-N 1 1 369.425 2.381 20 5 FEBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000457097219 560548421 /nfs/dbraw/zinc/54/84/21/560548421.db2.gz RTLONUWIGHHWCJ-AWEZNQCLSA-N 1 1 357.414 2.335 20 5 FEBDMO C[N@@H+](CCCCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)C1CC1 ZINC000457193363 560555317 /nfs/dbraw/zinc/55/53/17/560555317.db2.gz DCMJHTNEOYMLRU-UHFFFAOYSA-N 1 1 357.414 2.385 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000457905599 560593358 /nfs/dbraw/zinc/59/33/58/560593358.db2.gz URYCPRLLPFDNOO-ZDUSSCGKSA-N 1 1 350.419 2.135 20 5 FEBDMO C[C@H](C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459808303 560709828 /nfs/dbraw/zinc/70/98/28/560709828.db2.gz OOAIXQPHAWEHTB-CYBMUJFWSA-N 1 1 365.430 2.467 20 5 FEBDMO C[C@H](C[N@@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000459808303 560709829 /nfs/dbraw/zinc/70/98/29/560709829.db2.gz OOAIXQPHAWEHTB-CYBMUJFWSA-N 1 1 365.430 2.467 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1cc([N+](=O)[O-])n[nH]1 ZINC000461465392 560772840 /nfs/dbraw/zinc/77/28/40/560772840.db2.gz FJPIGCZDFUPGLB-OAHLLOKOSA-N 1 1 357.414 2.350 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000461611624 560776537 /nfs/dbraw/zinc/77/65/37/560776537.db2.gz FGPZXOATFOSHKQ-GFCCVEGCSA-N 1 1 351.403 2.232 20 5 FEBDMO Cc1cc(Sc2nnnn2C[C@@H]2CC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000461946637 560789047 /nfs/dbraw/zinc/78/90/47/560789047.db2.gz NETHOPOUFKAYKT-SNVBAGLBSA-N 1 1 352.395 2.132 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000468477729 560931058 /nfs/dbraw/zinc/93/10/58/560931058.db2.gz FAEXKORFPXRQTA-INIZCTEOSA-N 1 1 372.429 2.026 20 5 FEBDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000470176334 560976117 /nfs/dbraw/zinc/97/61/17/560976117.db2.gz WBRMAUXOYZIZJC-IDJPSDCMSA-N 1 1 367.471 2.259 20 5 FEBDMO C[NH+](C)[C@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000470268346 560977760 /nfs/dbraw/zinc/97/77/60/560977760.db2.gz LRFLTFSIBAEQJQ-SFHVURJKSA-N 1 1 355.394 2.487 20 5 FEBDMO C[NH+](C)[C@@H](C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccccc1 ZINC000470268345 560977899 /nfs/dbraw/zinc/97/78/99/560977899.db2.gz LRFLTFSIBAEQJQ-GOSISDBHSA-N 1 1 355.394 2.487 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000470616743 560985930 /nfs/dbraw/zinc/98/59/30/560985930.db2.gz DYXGSTZQQZLVDD-FRRDWIJNSA-N 1 1 373.450 2.379 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000475115072 561090859 /nfs/dbraw/zinc/09/08/59/561090859.db2.gz BBPVZOUKFAZIGP-GZBFAFLISA-N 1 1 366.414 2.128 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)cc1[N+](=O)[O-] ZINC000475131303 561091268 /nfs/dbraw/zinc/09/12/68/561091268.db2.gz QGYLOOYPRROVNU-BLLLJJGKSA-N 1 1 352.387 2.003 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000476353993 561117305 /nfs/dbraw/zinc/11/73/05/561117305.db2.gz MTYYNNWEEQCRNU-UHFFFAOYSA-N 1 1 371.441 2.109 20 5 FEBDMO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000476351537 561117386 /nfs/dbraw/zinc/11/73/86/561117386.db2.gz DEUFXCJBDQXXMW-GFCCVEGCSA-N 1 1 363.443 2.032 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000476812505 561129063 /nfs/dbraw/zinc/12/90/63/561129063.db2.gz BMKQZTNUOQOQEU-UHFFFAOYSA-N 1 1 357.414 2.065 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000476812505 561129064 /nfs/dbraw/zinc/12/90/64/561129064.db2.gz BMKQZTNUOQOQEU-UHFFFAOYSA-N 1 1 357.414 2.065 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000533449894 562509439 /nfs/dbraw/zinc/50/94/39/562509439.db2.gz MYIWASVVBOZMIX-ZDUSSCGKSA-N 1 1 363.414 2.421 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000534980996 562546729 /nfs/dbraw/zinc/54/67/29/562546729.db2.gz RUPANZDHGIQEIM-ZDUSSCGKSA-N 1 1 360.414 2.163 20 5 FEBDMO COCC[N@@H+](C)CCCC1CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000535757930 562567063 /nfs/dbraw/zinc/56/70/63/562567063.db2.gz XHQYICAIHHZHEP-UHFFFAOYSA-N 1 1 366.462 2.144 20 5 FEBDMO CNc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000540901368 562596135 /nfs/dbraw/zinc/59/61/35/562596135.db2.gz ZSJGADFPRNSOHX-DOTOQJQBSA-N 1 1 354.410 2.464 20 5 FEBDMO COc1ccc(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1[N+](=O)[O-] ZINC000542069872 562626373 /nfs/dbraw/zinc/62/63/73/562626373.db2.gz KNHDORBSPTWGMW-IBGZPJMESA-N 1 1 371.393 2.179 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@H]2[N@@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000557673892 674460314 /nfs/dbraw/zinc/46/03/14/674460314.db2.gz MFEVFAZLWFFNMJ-CYBMUJFWSA-N 1 1 350.419 2.617 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000557649224 674459334 /nfs/dbraw/zinc/45/93/34/674459334.db2.gz CIVACETVUPITOP-UHFFFAOYSA-N 1 1 364.475 2.428 20 5 FEBDMO CC(C)[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809834816 674514745 /nfs/dbraw/zinc/51/47/45/674514745.db2.gz GKPLSHXIHDZXQR-UHFFFAOYSA-N 1 1 353.803 2.006 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])c1 ZINC000559129727 674528857 /nfs/dbraw/zinc/52/88/57/674528857.db2.gz CONMLPFGGSXLBX-INIZCTEOSA-N 1 1 353.444 2.010 20 5 FEBDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240098 606730731 /nfs/dbraw/zinc/73/07/31/606730731.db2.gz DXRVEBSVUJVGMY-BMIGLBTASA-N 1 1 368.401 2.075 20 5 FEBDMO C[C@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000824563844 608563515 /nfs/dbraw/zinc/56/35/15/608563515.db2.gz QQVZSPBVFFGJKC-VIFPVBQESA-N 1 1 373.398 2.126 20 5 FEBDMO C[C@@](O)(CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000561214296 674647347 /nfs/dbraw/zinc/64/73/47/674647347.db2.gz XLIIOXDSRZODPF-CQSZACIVSA-N 1 1 364.229 2.397 20 5 FEBDMO O=C(CCOCC(F)F)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172409 674725311 /nfs/dbraw/zinc/72/53/11/674725311.db2.gz HGOCMJLJACLKII-AWEZNQCLSA-N 1 1 358.341 2.384 20 5 FEBDMO O=C(CCOCC(F)F)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813172409 674725314 /nfs/dbraw/zinc/72/53/14/674725314.db2.gz HGOCMJLJACLKII-AWEZNQCLSA-N 1 1 358.341 2.384 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000815008464 674895155 /nfs/dbraw/zinc/89/51/55/674895155.db2.gz XFRFCUZOXUHZAY-UHFFFAOYSA-N 1 1 365.814 2.150 20 5 FEBDMO CCN1CC[NH+](CCCNC(=O)c2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000816869509 675083718 /nfs/dbraw/zinc/08/37/18/675083718.db2.gz UDEJMCCIVHAWIJ-UHFFFAOYSA-N 1 1 354.838 2.006 20 5 FEBDMO CC(C)C[C@H](C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000573825947 671169312 /nfs/dbraw/zinc/16/93/12/671169312.db2.gz LZFYLBHNLSLJIN-AWEZNQCLSA-N 1 1 355.460 2.336 20 5 FEBDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108202 675181480 /nfs/dbraw/zinc/18/14/80/675181480.db2.gz DMJYTVOHVHHFOC-BFYDXBDKSA-N 1 1 351.447 2.045 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566108202 675181483 /nfs/dbraw/zinc/18/14/83/675181483.db2.gz DMJYTVOHVHHFOC-BFYDXBDKSA-N 1 1 351.447 2.045 20 5 FEBDMO C[NH+]1CCN(CCCCNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000574748503 671274228 /nfs/dbraw/zinc/27/42/28/671274228.db2.gz NKPBTCNLWJVDAA-UHFFFAOYSA-N 1 1 361.368 2.448 20 5 FEBDMO CCc1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000576939766 671406026 /nfs/dbraw/zinc/40/60/26/671406026.db2.gz KDTSARDDPKBTGA-AWEZNQCLSA-N 1 1 355.460 2.308 20 5 FEBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000578370919 671660505 /nfs/dbraw/zinc/66/05/05/671660505.db2.gz BLTDKIPFPREDLA-CQSZACIVSA-N 1 1 357.476 2.177 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000609792201 675936530 /nfs/dbraw/zinc/93/65/30/675936530.db2.gz MRHLAFHBYMKLGL-HNNXBMFYSA-N 1 1 367.833 2.114 20 5 FEBDMO CCc1ccc(S(=O)(=O)N(C)CCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000582000842 671957452 /nfs/dbraw/zinc/95/74/52/671957452.db2.gz HMPCXSGRWAYIIO-UHFFFAOYSA-N 1 1 366.443 2.373 20 5 FEBDMO C[C@@H]1C[C@H]1N1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000610272751 675964263 /nfs/dbraw/zinc/96/42/63/675964263.db2.gz JKMNFDHCDYNIRO-IRUJWGPZSA-N 1 1 355.341 2.295 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000131043223 672083158 /nfs/dbraw/zinc/08/31/58/672083158.db2.gz BUELNWGPKAPYRR-LSDHHAIUSA-N 1 1 361.427 2.017 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ncn(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)n2)cc1 ZINC000131043223 672083160 /nfs/dbraw/zinc/08/31/60/672083160.db2.gz BUELNWGPKAPYRR-LSDHHAIUSA-N 1 1 361.427 2.017 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)cc([N+](=O)[O-])c1F ZINC000154299899 672214043 /nfs/dbraw/zinc/21/40/43/672214043.db2.gz XHBKISNSHOKZKP-UHFFFAOYSA-N 1 1 371.434 2.291 20 5 FEBDMO C[C@]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)(C(N)=O)c1cccc(Cl)c1 ZINC000154614478 672219314 /nfs/dbraw/zinc/21/93/14/672219314.db2.gz LFTURXOPLNKRJP-NVXWUHKLSA-N 1 1 363.801 2.272 20 5 FEBDMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589497377 672529453 /nfs/dbraw/zinc/52/94/53/672529453.db2.gz QTQHLKULFJTLFW-AWEZNQCLSA-N 1 1 350.371 2.299 20 5 FEBDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589497377 672529455 /nfs/dbraw/zinc/52/94/55/672529455.db2.gz QTQHLKULFJTLFW-AWEZNQCLSA-N 1 1 350.371 2.299 20 5 FEBDMO CCOc1cc(NC[C@H]2CCC[N@H+](CC(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000590567651 672590419 /nfs/dbraw/zinc/59/04/19/672590419.db2.gz FTOSQPMUKRRCQZ-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOc1cc(NC[C@H]2CCC[N@@H+](CC(=O)OC)C2)ccc1[N+](=O)[O-] ZINC000590567651 672590420 /nfs/dbraw/zinc/59/04/20/672590420.db2.gz FTOSQPMUKRRCQZ-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CS(=O)(=O)C[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590758816 672612438 /nfs/dbraw/zinc/61/24/38/672612438.db2.gz PAQFQTWTUSBSKJ-OAHLLOKOSA-N 1 1 356.444 2.263 20 5 FEBDMO CS(=O)(=O)C[C@H]1CCCC[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590758816 672612442 /nfs/dbraw/zinc/61/24/42/672612442.db2.gz PAQFQTWTUSBSKJ-OAHLLOKOSA-N 1 1 356.444 2.263 20 5 FEBDMO CCOC[C@@H](O)C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130363 672762286 /nfs/dbraw/zinc/76/22/86/672762286.db2.gz FMAXKEWTQJVNHV-ULQDDVLXSA-N 1 1 352.431 2.098 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000612121387 676069699 /nfs/dbraw/zinc/06/96/99/676069699.db2.gz RPETZZPCIVEFIO-CVEARBPZSA-N 1 1 350.415 2.226 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593067241 672871115 /nfs/dbraw/zinc/87/11/15/672871115.db2.gz IIVZUNUKDUAKBP-ZDUSSCGKSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCCC[C@@H]1CO ZINC000594017369 673021462 /nfs/dbraw/zinc/02/14/62/673021462.db2.gz XCLKJEBMWHUMSY-CQSZACIVSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484381 673088335 /nfs/dbraw/zinc/08/83/35/673088335.db2.gz QLFMGHWUWJVFQD-HIFRSBDPSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594484744 673088713 /nfs/dbraw/zinc/08/87/13/673088713.db2.gz TVWSLQUFODHXHE-HUUCEWRRSA-N 1 1 353.444 2.198 20 5 FEBDMO COC(=O)c1c(Cl)c(N2CC[C@H]([NH+]3CC=CC3)C2)ccc1[N+](=O)[O-] ZINC000596141732 673362886 /nfs/dbraw/zinc/36/28/86/673362886.db2.gz NYUDWNZIKFNUFO-NSHDSACASA-N 1 1 351.790 2.485 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000537824270 673409785 /nfs/dbraw/zinc/40/97/85/673409785.db2.gz NOGYVINPTYHXKT-NEPJUHHUSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000537824270 673409788 /nfs/dbraw/zinc/40/97/88/673409788.db2.gz NOGYVINPTYHXKT-NEPJUHHUSA-N 1 1 351.403 2.167 20 5 FEBDMO C[N@@H+]1CC=C(CNC(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000540535882 673545830 /nfs/dbraw/zinc/54/58/30/673545830.db2.gz LRNVWQAVEFQVQE-UHFFFAOYSA-N 1 1 353.806 2.395 20 5 FEBDMO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1[N+](=O)[O-] ZINC000598610196 673590165 /nfs/dbraw/zinc/59/01/65/673590165.db2.gz FZHPDDZXMAMXIM-KRWDZBQOSA-N 1 1 367.471 2.318 20 5 FEBDMO C[C@@H]1CC[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC000599104760 673633741 /nfs/dbraw/zinc/63/37/41/673633741.db2.gz NNVPXROHZNAURM-VXNVDRBHSA-N 1 1 368.242 2.320 20 5 FEBDMO COc1cc(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000741117709 673671497 /nfs/dbraw/zinc/67/14/97/673671497.db2.gz BIFRNZVBKQDSDB-AWEZNQCLSA-N 1 1 352.387 2.117 20 5 FEBDMO Cc1c(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000741720665 673695462 /nfs/dbraw/zinc/69/54/62/673695462.db2.gz ISUCSCUCRIMOPU-SKDRFNHKSA-N 1 1 350.375 2.332 20 5 FEBDMO CCC(O)(CC)C[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000599672202 673704616 /nfs/dbraw/zinc/70/46/16/673704616.db2.gz AGEHHPJTVVBQPP-UHFFFAOYSA-N 1 1 353.419 2.415 20 5 FEBDMO CCC(O)(CC)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000599673959 673704891 /nfs/dbraw/zinc/70/48/91/673704891.db2.gz WYXGIDHSLVMOGZ-GFCCVEGCSA-N 1 1 353.419 2.413 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599691540 673707015 /nfs/dbraw/zinc/70/70/15/673707015.db2.gz PDXAROCXVJIZEB-KBPBESRZSA-N 1 1 355.460 2.225 20 5 FEBDMO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cnn(C)c1 ZINC000742390208 673726122 /nfs/dbraw/zinc/72/61/22/673726122.db2.gz CUFIWLWHPVEABD-BMIGLBTASA-N 1 1 363.805 2.265 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000600212852 673749666 /nfs/dbraw/zinc/74/96/66/673749666.db2.gz IJKMZFWDZWXOEQ-SCZPIIQISA-N 1 1 367.471 2.259 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1CC([NH+]2CCOCC2)C1 ZINC000600709336 673793551 /nfs/dbraw/zinc/79/35/51/673793551.db2.gz XPXKOYVVHLEBDX-UHFFFAOYSA-N 1 1 354.794 2.233 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000744423281 673795801 /nfs/dbraw/zinc/79/58/01/673795801.db2.gz CCZIQKXRSAINAR-LBPRGKRZSA-N 1 1 354.838 2.460 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNc2c([N+](=O)[O-])c(C(F)(F)F)nn2C)C[C@H](C)O1 ZINC000601101040 673826178 /nfs/dbraw/zinc/82/61/78/673826178.db2.gz GHNJZHVLLJPLGT-AOOOYVTPSA-N 1 1 365.356 2.258 20 5 FEBDMO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602643810 673909078 /nfs/dbraw/zinc/90/90/78/673909078.db2.gz LGHQKQSROAWCIB-SSDOTTSWSA-N 1 1 350.238 2.375 20 5 FEBDMO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000602822242 673911345 /nfs/dbraw/zinc/91/13/45/673911345.db2.gz QNWSJZWWMXHUAQ-HIFRSBDPSA-N 1 1 363.805 2.043 20 5 FEBDMO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000602822244 673911788 /nfs/dbraw/zinc/91/17/88/673911788.db2.gz QNWSJZWWMXHUAQ-UKRRQHHQSA-N 1 1 363.805 2.043 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000602853388 673912165 /nfs/dbraw/zinc/91/21/65/673912165.db2.gz YKXJRZDHJCFVEM-GXTWGEPZSA-N 1 1 352.435 2.399 20 5 FEBDMO CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602965539 673914760 /nfs/dbraw/zinc/91/47/60/673914760.db2.gz IBKVIMOZJFZZGQ-KSSFIOAISA-N 1 1 351.447 2.285 20 5 FEBDMO CC1(C)CN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC[N@H+]1CCO ZINC000615140419 676204939 /nfs/dbraw/zinc/20/49/39/676204939.db2.gz DSADGRNVGRXXIR-UHFFFAOYSA-N 1 1 359.373 2.085 20 5 FEBDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850653 675247761 /nfs/dbraw/zinc/24/77/61/675247761.db2.gz MNWNWQUTYKKQSV-PMPSAXMXSA-N 1 1 351.447 2.045 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566850653 675247764 /nfs/dbraw/zinc/24/77/64/675247764.db2.gz MNWNWQUTYKKQSV-PMPSAXMXSA-N 1 1 351.447 2.045 20 5 FEBDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000567784764 675322407 /nfs/dbraw/zinc/32/24/07/675322407.db2.gz VBCREMAJSQTNQU-LBPRGKRZSA-N 1 1 358.464 2.035 20 5 FEBDMO CN1C[C@@H]([N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)CCC1=O ZINC000821322847 675426967 /nfs/dbraw/zinc/42/69/67/675426967.db2.gz MWZZVZDPVFPJDF-NSHDSACASA-N 1 1 356.220 2.410 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000823782241 675571472 /nfs/dbraw/zinc/57/14/72/675571472.db2.gz NJSJQHWFYCEZMW-GFCCVEGCSA-N 1 1 350.371 2.397 20 5 FEBDMO O=C(N1C[C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]2C1)C(F)(F)F ZINC000824827125 675623720 /nfs/dbraw/zinc/62/37/20/675623720.db2.gz ANLSGRSDCUVKPI-STQMWFEESA-N 1 1 357.332 2.437 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000825708337 675664919 /nfs/dbraw/zinc/66/49/19/675664919.db2.gz FUBLMTJDHBKOTJ-GFCCVEGCSA-N 1 1 355.822 2.397 20 5 FEBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])C1 ZINC000604199228 675803989 /nfs/dbraw/zinc/80/39/89/675803989.db2.gz OUJXJXXLNDJUQB-JTQLQIEISA-N 1 1 361.320 2.360 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252209 676369046 /nfs/dbraw/zinc/36/90/46/676369046.db2.gz HDOWGWKVUYMIHV-HIFRSBDPSA-N 1 1 350.394 2.042 20 5 FEBDMO CCOc1ccc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000838912799 680727222 /nfs/dbraw/zinc/72/72/22/680727222.db2.gz POSSGTBTOKADPM-OKILXGFUSA-N 1 1 350.371 2.014 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000762281419 680746724 /nfs/dbraw/zinc/74/67/24/680746724.db2.gz YSVCGFHQYIDSQN-GFCCVEGCSA-N 1 1 373.862 2.319 20 5 FEBDMO C[C@@H](O)C[N@H+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)[C@H](C)C1 ZINC000839565139 680762141 /nfs/dbraw/zinc/76/21/41/680762141.db2.gz YVGQNYWMWHBQOB-VXGBXAGGSA-N 1 1 372.263 2.244 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1 ZINC000748272589 679947673 /nfs/dbraw/zinc/94/76/73/679947673.db2.gz OSQATNHQHOAFLR-CQSZACIVSA-N 1 1 350.375 2.194 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000832690411 680166029 /nfs/dbraw/zinc/16/60/29/680166029.db2.gz GESOGFFYGIWWGA-CABZTGNLSA-N 1 1 354.204 2.133 20 5 FEBDMO C[C@@]1(C2CC[NH+](Cc3cc(Cl)ccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000752300746 680234949 /nfs/dbraw/zinc/23/49/49/680234949.db2.gz IGNSHOXHFYBOIT-INIZCTEOSA-N 1 1 366.805 2.058 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC([NH2+]Cc2cccc(F)c2Cl)CC1 ZINC000996429205 680332270 /nfs/dbraw/zinc/33/22/70/680332270.db2.gz LXBQPHJWBRWRJN-TZMCWYRMSA-N 1 1 355.797 2.225 20 5 FEBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000754787016 680378184 /nfs/dbraw/zinc/37/81/84/680378184.db2.gz WWZGGCWFXNTIRE-GFCCVEGCSA-N 1 1 356.220 2.268 20 5 FEBDMO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c(C)s1 ZINC000985430555 680447271 /nfs/dbraw/zinc/44/72/71/680447271.db2.gz CITJFRFRVWNIAT-HZPDHXFCSA-N 1 1 351.472 2.453 20 5 FEBDMO Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)s1 ZINC000985430555 680447275 /nfs/dbraw/zinc/44/72/75/680447275.db2.gz CITJFRFRVWNIAT-HZPDHXFCSA-N 1 1 351.472 2.453 20 5 FEBDMO Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC3[N+](=O)[O-])CC2)c(C)s1 ZINC000985430555 680447278 /nfs/dbraw/zinc/44/72/78/680447278.db2.gz CITJFRFRVWNIAT-HZPDHXFCSA-N 1 1 351.472 2.453 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000836698061 680501621 /nfs/dbraw/zinc/50/16/21/680501621.db2.gz MHSMJCJQJXUUHQ-LBPRGKRZSA-N 1 1 368.865 2.170 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000756942233 680506345 /nfs/dbraw/zinc/50/63/45/680506345.db2.gz BNMBGBJUHCZHTK-AWEZNQCLSA-N 1 1 370.837 2.158 20 5 FEBDMO CC1(NC(=O)[C@@H]2CC2[N+](=O)[O-])CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC001045436041 680629459 /nfs/dbraw/zinc/62/94/59/680629459.db2.gz FKCCPLIBMUDOOV-HUUCEWRRSA-N 1 1 351.834 2.476 20 5 FEBDMO COc1cc(OCC(=O)OC[C@@H]2CC[N@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000845736638 681149768 /nfs/dbraw/zinc/14/97/68/681149768.db2.gz WRZCRCZGFZPOTB-LBPRGKRZSA-N 1 1 352.387 2.398 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000932487020 681255145 /nfs/dbraw/zinc/25/51/45/681255145.db2.gz UAHHQTHMCYOTJZ-UHFFFAOYSA-N 1 1 369.849 2.362 20 5 FEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583261 681410749 /nfs/dbraw/zinc/41/07/49/681410749.db2.gz ZJYUNZUHAOIHBW-ZFWWWQNUSA-N 1 1 351.403 2.227 20 5 FEBDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776583261 681410753 /nfs/dbraw/zinc/41/07/53/681410753.db2.gz ZJYUNZUHAOIHBW-ZFWWWQNUSA-N 1 1 351.403 2.227 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000848582885 681582693 /nfs/dbraw/zinc/58/26/93/681582693.db2.gz RKLXVFDAWMKQBV-LBPRGKRZSA-N 1 1 357.357 2.415 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848581315 681582894 /nfs/dbraw/zinc/58/28/94/681582894.db2.gz OYNDDFUDNPWDAA-WCQYABFASA-N 1 1 355.341 2.309 20 5 FEBDMO C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848648148 681593218 /nfs/dbraw/zinc/59/32/18/681593218.db2.gz SNCDRBOQUCLECL-UPJWGTAASA-N 1 1 352.460 2.379 20 5 FEBDMO C[C@H](CNC(=S)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848648148 681593224 /nfs/dbraw/zinc/59/32/24/681593224.db2.gz SNCDRBOQUCLECL-UPJWGTAASA-N 1 1 352.460 2.379 20 5 FEBDMO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000934955775 681664130 /nfs/dbraw/zinc/66/41/30/681664130.db2.gz ZHOYJXHHYRHGRI-AWEZNQCLSA-N 1 1 367.471 2.283 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782525094 682053658 /nfs/dbraw/zinc/05/36/58/682053658.db2.gz VFDKJYNVODCEEZ-QWHCGFSZSA-N 1 1 352.410 2.477 20 5 FEBDMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782525094 682053666 /nfs/dbraw/zinc/05/36/66/682053666.db2.gz VFDKJYNVODCEEZ-QWHCGFSZSA-N 1 1 352.410 2.477 20 5 FEBDMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000782525094 682053672 /nfs/dbraw/zinc/05/36/72/682053672.db2.gz VFDKJYNVODCEEZ-QWHCGFSZSA-N 1 1 352.410 2.477 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000783321966 682134897 /nfs/dbraw/zinc/13/48/97/682134897.db2.gz KDECPHAHCYUPIB-UHFFFAOYSA-N 1 1 356.810 2.035 20 5 FEBDMO CCC[N@@H+](C)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000851857595 682165328 /nfs/dbraw/zinc/16/53/28/682165328.db2.gz VPRVVFLIKNXEJM-UHFFFAOYSA-N 1 1 359.448 2.002 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000917654451 685533553 /nfs/dbraw/zinc/53/35/53/685533553.db2.gz HBSQUDUNXVAQJH-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000917909472 685535681 /nfs/dbraw/zinc/53/56/81/685535681.db2.gz UCYDCVWMIWITMA-QWRGUYRKSA-N 1 1 359.835 2.153 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C ZINC000918744478 685541828 /nfs/dbraw/zinc/54/18/28/685541828.db2.gz IUEJKMRQQHPTHP-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO CCCCCC[N@@H+](C)CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000787593040 682466873 /nfs/dbraw/zinc/46/68/73/682466873.db2.gz LFLDUITXYPPBOP-UHFFFAOYSA-N 1 1 351.451 2.467 20 5 FEBDMO C[C@H](CN1CCOCC1)[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000788377685 682525895 /nfs/dbraw/zinc/52/58/95/682525895.db2.gz OENSASWKCBOSFG-GFCCVEGCSA-N 1 1 367.837 2.208 20 5 FEBDMO C[C@H](CN1CCOCC1)[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000788377685 682525898 /nfs/dbraw/zinc/52/58/98/682525898.db2.gz OENSASWKCBOSFG-GFCCVEGCSA-N 1 1 367.837 2.208 20 5 FEBDMO CN(C)c1cc(F)c(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000855286672 682653694 /nfs/dbraw/zinc/65/36/94/682653694.db2.gz VFEJESBGALCXHV-NSHDSACASA-N 1 1 352.410 2.403 20 5 FEBDMO CN(CCC[N@@H+](C)Cc1ccco1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000796235324 683144564 /nfs/dbraw/zinc/14/45/64/683144564.db2.gz HHCXOSJSKKXUEA-UHFFFAOYSA-N 1 1 373.456 2.392 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798160719 683315880 /nfs/dbraw/zinc/31/58/80/683315880.db2.gz NMGDLVTZFIKLGB-JTQLQIEISA-N 1 1 371.235 2.214 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000798374168 683340885 /nfs/dbraw/zinc/34/08/85/683340885.db2.gz FTOVYCIHGQJDPP-UHFFFAOYSA-N 1 1 368.459 2.002 20 5 FEBDMO O=C(CCNc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928100791 683390564 /nfs/dbraw/zinc/39/05/64/683390564.db2.gz ZPHPTTFULYVRAV-GDBMZVCRSA-N 1 1 364.471 2.093 20 5 FEBDMO COc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cc1[N+](=O)[O-] ZINC000930768801 683781814 /nfs/dbraw/zinc/78/18/14/683781814.db2.gz JYZPQANCYJFJIX-JSGCOSHPSA-N 1 1 366.443 2.305 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000930883805 683796475 /nfs/dbraw/zinc/79/64/75/683796475.db2.gz IRCKPVROOLFUET-TZMCWYRMSA-N 1 1 366.443 2.305 20 5 FEBDMO C[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865809338 684031074 /nfs/dbraw/zinc/03/10/74/684031074.db2.gz OSTTUDJCEBWWRA-NSHDSACASA-N 1 1 356.220 2.110 20 5 FEBDMO CCOc1ccc([C@@H](C)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000866414544 684100604 /nfs/dbraw/zinc/10/06/04/684100604.db2.gz PITHJBRDXFILPM-HIFRSBDPSA-N 1 1 351.447 2.489 20 5 FEBDMO CCOc1ccc([C@@H](C)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1[N+](=O)[O-] ZINC000866414544 684100607 /nfs/dbraw/zinc/10/06/07/684100607.db2.gz PITHJBRDXFILPM-HIFRSBDPSA-N 1 1 351.447 2.489 20 5 FEBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868519615 684505046 /nfs/dbraw/zinc/50/50/46/684505046.db2.gz CYEONUUGRNQLHB-FZMZJTMJSA-N 1 1 368.231 2.062 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869779260 684654935 /nfs/dbraw/zinc/65/49/35/684654935.db2.gz WHYCQLNWHHSGOK-LBPRGKRZSA-N 1 1 355.822 2.132 20 5 FEBDMO O=C1CC2(CCOCC2)[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000872289889 684935423 /nfs/dbraw/zinc/93/54/23/684935423.db2.gz SWAXNXNWKWNQRP-UHFFFAOYSA-N 1 1 353.806 2.119 20 5 FEBDMO O=C1CC2(CCOCC2)[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CCN1 ZINC000872289889 684935424 /nfs/dbraw/zinc/93/54/24/684935424.db2.gz SWAXNXNWKWNQRP-UHFFFAOYSA-N 1 1 353.806 2.119 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000872665574 685001186 /nfs/dbraw/zinc/00/11/86/685001186.db2.gz QVDYEELIHJSLEE-GJZGRUSLSA-N 1 1 353.444 2.014 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1[N+](=O)[O-] ZINC000872665574 685001187 /nfs/dbraw/zinc/00/11/87/685001187.db2.gz QVDYEELIHJSLEE-GJZGRUSLSA-N 1 1 353.444 2.014 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000877514311 686397453 /nfs/dbraw/zinc/39/74/53/686397453.db2.gz JEISYLARYRXEFH-OAHLLOKOSA-N 1 1 369.487 2.315 20 5 FEBDMO Cc1ncc(CNC(=O)CC[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)s1 ZINC000878303398 686560840 /nfs/dbraw/zinc/56/08/40/686560840.db2.gz PPALQOBPCRKCKY-UHFFFAOYSA-N 1 1 360.439 2.424 20 5 FEBDMO C[N@H+]1C[C@@H]2CCN(Cc3nnc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[C@@H]2C1 ZINC000878640325 686625981 /nfs/dbraw/zinc/62/59/81/686625981.db2.gz HNAWTDCZYBDONJ-IINYFYTJSA-N 1 1 363.805 2.434 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC000878650199 686628428 /nfs/dbraw/zinc/62/84/28/686628428.db2.gz HWSCRPIAUCUMAM-GFCCVEGCSA-N 1 1 351.403 2.216 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879322721 686795741 /nfs/dbraw/zinc/79/57/41/686795741.db2.gz VJRJKDTXQULJGS-JSGCOSHPSA-N 1 1 351.403 2.431 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(CC(=O)Nc3cc(Cl)ccc3[N+](=O)[O-])CC[C@@H]21 ZINC000879574994 686860100 /nfs/dbraw/zinc/86/01/00/686860100.db2.gz HSEQODXHHGJAQV-RISCZKNCSA-N 1 1 352.822 2.213 20 5 FEBDMO O=[N+]([O-])c1ccc(Cn2cc(CCC[NH+]3CCOCC3)nn2)c(Cl)c1 ZINC000881278455 687121387 /nfs/dbraw/zinc/12/13/87/687121387.db2.gz BOCDXQBRKWDGNX-UHFFFAOYSA-N 1 1 365.821 2.153 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000881940032 687266542 /nfs/dbraw/zinc/26/65/42/687266542.db2.gz SEWZEJPWGFBFAK-LBPRGKRZSA-N 1 1 371.846 2.191 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000884954312 687973363 /nfs/dbraw/zinc/97/33/63/687973363.db2.gz CBUKGNJGJZDYLE-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000885892884 688179777 /nfs/dbraw/zinc/17/97/77/688179777.db2.gz FSYWFIIDFKTVRA-LBPRGKRZSA-N 1 1 371.796 2.370 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)cc1Cl ZINC000889752015 688816670 /nfs/dbraw/zinc/81/66/70/688816670.db2.gz UBPPJLDUVDGNRZ-CABCVRRESA-N 1 1 367.833 2.228 20 5 FEBDMO COc1c(O)ccc(C[NH+]2CCC(N(C)CC(F)F)CC2)c1[N+](=O)[O-] ZINC000892136502 689155518 /nfs/dbraw/zinc/15/55/18/689155518.db2.gz LDYPRNZNLIWABQ-UHFFFAOYSA-N 1 1 359.373 2.470 20 5 FEBDMO CS(=O)(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000895688537 689755521 /nfs/dbraw/zinc/75/55/21/689755521.db2.gz MVXFCLLZSNNOMS-XYPYZODXSA-N 1 1 352.334 2.279 20 5 FEBDMO O=[N+]([O-])c1cc(Br)cnc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896521572 689884528 /nfs/dbraw/zinc/88/45/28/689884528.db2.gz JQEBOYAUJOGGAW-LBPRGKRZSA-N 1 1 371.235 2.418 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC000900581570 690534624 /nfs/dbraw/zinc/53/46/24/690534624.db2.gz ZWDJAWRRGXVCBS-NSHDSACASA-N 1 1 359.785 2.228 20 5 FEBDMO C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@H+](C)CCO1 ZINC000907071218 691386732 /nfs/dbraw/zinc/38/67/32/691386732.db2.gz OXTWZVCQHDJKAX-ABAIWWIYSA-N 1 1 355.822 2.016 20 5 FEBDMO C[C@@H](NC(=O)CCc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[N@@H+](C)CCO1 ZINC000907071218 691386735 /nfs/dbraw/zinc/38/67/35/691386735.db2.gz OXTWZVCQHDJKAX-ABAIWWIYSA-N 1 1 355.822 2.016 20 5 FEBDMO O=C(c1cc(Cl)c(F)c([N+](=O)[O-])c1)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000907764040 691555723 /nfs/dbraw/zinc/55/57/23/691555723.db2.gz QQERLDSYDQAVSE-UHFFFAOYSA-N 1 1 353.741 2.073 20 5 FEBDMO COc1nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)ccc1[N+](=O)[O-] ZINC001164723588 720351796 /nfs/dbraw/zinc/35/17/96/720351796.db2.gz IBQIALFHBRVSNK-HUUCEWRRSA-N 1 1 355.398 2.247 20 5 FEBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nn1 ZINC001165042434 721920886 /nfs/dbraw/zinc/92/08/86/721920886.db2.gz DYMPLMANPJJGDG-OAHLLOKOSA-N 1 1 369.425 2.353 20 5 FEBDMO C[C@H]1C[C@H](CCNc2ncc([N+](=O)[O-])c(N)n2)C[N@H+]1Cc1ccccc1 ZINC000511635224 795275626 /nfs/dbraw/zinc/27/56/26/795275626.db2.gz FBWRCMILNGFTCM-ZFWWWQNUSA-N 1 1 356.430 2.102 20 5 FEBDMO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000011364449 539527674 /nfs/dbraw/zinc/52/76/74/539527674.db2.gz JCCAKPAJFRSSGX-UHFFFAOYSA-N 1 1 357.366 2.445 20 5 FEBDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000011364449 539527679 /nfs/dbraw/zinc/52/76/79/539527679.db2.gz JCCAKPAJFRSSGX-UHFFFAOYSA-N 1 1 357.366 2.445 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+](C)CC2CCOCC2)c([N+](=O)[O-])c1 ZINC000156027939 545593593 /nfs/dbraw/zinc/59/35/93/545593593.db2.gz ZFZQMTFPQDHNGY-UHFFFAOYSA-N 1 1 351.403 2.290 20 5 FEBDMO NC(=O)c1ccc(NCC2([NH+]3CCOCC3)CCCCC2)c([N+](=O)[O-])c1 ZINC000015170664 539613680 /nfs/dbraw/zinc/61/36/80/539613680.db2.gz QGQGVLPOBRCIFL-UHFFFAOYSA-N 1 1 362.430 2.141 20 5 FEBDMO COC(=O)c1ccc(C[N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cc1 ZINC000026321676 539783084 /nfs/dbraw/zinc/78/30/84/539783084.db2.gz KYHUFTBUIIMYFJ-QGZVFWFLSA-N 1 1 374.393 2.253 20 5 FEBDMO Cc1cc(CN2CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)on1 ZINC000026339792 539784071 /nfs/dbraw/zinc/78/40/71/539784071.db2.gz RKQBWQQPXNWMLX-UHFFFAOYSA-N 1 1 373.413 2.038 20 5 FEBDMO CNc1ccc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000029197467 539846128 /nfs/dbraw/zinc/84/61/28/539846128.db2.gz PPLWAHRAPVIZIQ-HNNXBMFYSA-N 1 1 364.446 2.113 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000031338655 539905690 /nfs/dbraw/zinc/90/56/90/539905690.db2.gz XQHUUFYWFGMXBB-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000031338655 539905694 /nfs/dbraw/zinc/90/56/94/539905694.db2.gz XQHUUFYWFGMXBB-UHFFFAOYSA-N 1 1 355.394 2.392 20 5 FEBDMO C[C@@H](CNC(=O)NCCNc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000043893433 540114793 /nfs/dbraw/zinc/11/47/93/540114793.db2.gz PNIVWPGEZWNRKA-GJZGRUSLSA-N 1 1 363.462 2.426 20 5 FEBDMO COc1cc(C(=O)N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000045429774 540212698 /nfs/dbraw/zinc/21/26/98/540212698.db2.gz AVFNKPGUAXSPMD-UHFFFAOYSA-N 1 1 373.356 2.371 20 5 FEBDMO CCOc1cc(C(=O)N2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000045429182 540213077 /nfs/dbraw/zinc/21/30/77/540213077.db2.gz VVNAEBMUEHNUBM-UHFFFAOYSA-N 1 1 351.403 2.168 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000046560737 540261725 /nfs/dbraw/zinc/26/17/25/540261725.db2.gz ORMHUVLLGDLMGG-UHFFFAOYSA-N 1 1 362.430 2.032 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000047147709 540292733 /nfs/dbraw/zinc/29/27/33/540292733.db2.gz CZWDWTZSRFOLML-CQSZACIVSA-N 1 1 357.414 2.242 20 5 FEBDMO CNC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000048017963 540339957 /nfs/dbraw/zinc/33/99/57/540339957.db2.gz XVHLJNUTPNSZOG-UHFFFAOYSA-N 1 1 374.466 2.187 20 5 FEBDMO O=C(NCC[N@@H+]1CCc2sccc2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000054220476 540575543 /nfs/dbraw/zinc/57/55/43/540575543.db2.gz SSBKMBBZRBAJKD-UHFFFAOYSA-N 1 1 371.422 2.321 20 5 FEBDMO O=C(NCC[N@H+]1CCc2sccc2C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000054220476 540575545 /nfs/dbraw/zinc/57/55/45/540575545.db2.gz SSBKMBBZRBAJKD-UHFFFAOYSA-N 1 1 371.422 2.321 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000054625391 540599105 /nfs/dbraw/zinc/59/91/05/540599105.db2.gz GFAKTLIBCFNIIM-CYBMUJFWSA-N 1 1 368.397 2.352 20 5 FEBDMO C[N@@H+](CCNC(=O)NCCNc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000054762517 540607635 /nfs/dbraw/zinc/60/76/35/540607635.db2.gz YSQJSGWUIPNQKT-UHFFFAOYSA-N 1 1 371.441 2.438 20 5 FEBDMO C[NH+]1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)c2cccs2)CC1 ZINC000057288500 540786173 /nfs/dbraw/zinc/78/61/73/540786173.db2.gz JHPCWUOZUAUXLJ-INIZCTEOSA-N 1 1 374.466 2.375 20 5 FEBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000063711035 541180768 /nfs/dbraw/zinc/18/07/68/541180768.db2.gz KMVRXPDXPOEATO-CYBMUJFWSA-N 1 1 353.394 2.349 20 5 FEBDMO CC(C)(C)[N@@H+]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000063739757 541183157 /nfs/dbraw/zinc/18/31/57/541183157.db2.gz WMLUCCKTFTVYIH-UHFFFAOYSA-N 1 1 355.460 2.309 20 5 FEBDMO CC(C)(C)[N@H+]1CCCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000063739757 541183159 /nfs/dbraw/zinc/18/31/59/541183159.db2.gz WMLUCCKTFTVYIH-UHFFFAOYSA-N 1 1 355.460 2.309 20 5 FEBDMO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067202403 541432048 /nfs/dbraw/zinc/43/20/48/541432048.db2.gz IKSPISNRZYCDPT-INIZCTEOSA-N 1 1 363.462 2.342 20 5 FEBDMO C[NH+](C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000067244516 541435353 /nfs/dbraw/zinc/43/53/53/541435353.db2.gz FUTHKKGHLUFHJN-CQSZACIVSA-N 1 1 361.423 2.276 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000067429488 541463134 /nfs/dbraw/zinc/46/31/34/541463134.db2.gz BUUJIZBXUYQWFQ-HUUCEWRRSA-N 1 1 353.444 2.062 20 5 FEBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000067439603 541464767 /nfs/dbraw/zinc/46/47/67/541464767.db2.gz SQVGWZRVZWRNSY-HZSPNIEDSA-N 1 1 362.430 2.016 20 5 FEBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000069138943 541662011 /nfs/dbraw/zinc/66/20/11/541662011.db2.gz CYKLBNOEJKZXIQ-LBPRGKRZSA-N 1 1 351.403 2.074 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)s1 ZINC000069124151 541660504 /nfs/dbraw/zinc/66/05/04/541660504.db2.gz BCTHGJZWWBHPDH-GFCCVEGCSA-N 1 1 359.473 2.295 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000072810511 541871006 /nfs/dbraw/zinc/87/10/06/541871006.db2.gz QFVROIGVUOQNTJ-CVEARBPZSA-N 1 1 363.462 2.294 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000073102891 541918118 /nfs/dbraw/zinc/91/81/18/541918118.db2.gz XNZYCLPKJVAUQO-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000073102891 541918119 /nfs/dbraw/zinc/91/81/19/541918119.db2.gz XNZYCLPKJVAUQO-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO CS(=O)(=O)c1ccc(NCCc2cn3c([nH+]2)CCCC3)c([N+](=O)[O-])c1 ZINC000074237129 542057907 /nfs/dbraw/zinc/05/79/07/542057907.db2.gz KTSSFEJWKRLLGT-UHFFFAOYSA-N 1 1 364.427 2.186 20 5 FEBDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075749962 542202292 /nfs/dbraw/zinc/20/22/92/542202292.db2.gz LPBXRMLLINYBCB-LRDDRELGSA-N 1 1 352.822 2.369 20 5 FEBDMO Cc1ccc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000075777549 542202881 /nfs/dbraw/zinc/20/28/81/542202881.db2.gz FHHAUBRVPPXNAY-LJQANCHMSA-N 1 1 355.438 2.412 20 5 FEBDMO Cc1ccc(C[NH2+]C[C@@H](O)CN2CCc3ccccc3C2)cc1[N+](=O)[O-] ZINC000075777549 542202882 /nfs/dbraw/zinc/20/28/82/542202882.db2.gz FHHAUBRVPPXNAY-LJQANCHMSA-N 1 1 355.438 2.412 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000076190280 542241198 /nfs/dbraw/zinc/24/11/98/542241198.db2.gz OWIOLQUQSHXHHT-INIZCTEOSA-N 1 1 363.439 2.484 20 5 FEBDMO CC(C)(C)OC(=O)NC[C@]1(C)CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000801572556 674136817 /nfs/dbraw/zinc/13/68/17/674136817.db2.gz JOVMFPDBJNRYNP-INIZCTEOSA-N 1 1 353.423 2.028 20 5 FEBDMO CC(C)NC(=O)c1ccc(NC[C@@H](C)C[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000077995612 542436816 /nfs/dbraw/zinc/43/68/16/542436816.db2.gz UCKCPUGGWPVHMS-CQSZACIVSA-N 1 1 364.446 2.113 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000079709685 542538255 /nfs/dbraw/zinc/53/82/55/542538255.db2.gz ILVQLWMDQJOWBY-DOTOQJQBSA-N 1 1 371.441 2.351 20 5 FEBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000081532694 542662947 /nfs/dbraw/zinc/66/29/47/542662947.db2.gz GCIRGDBINDDDCJ-SFHVURJKSA-N 1 1 368.437 2.400 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000083424375 542697282 /nfs/dbraw/zinc/69/72/82/542697282.db2.gz VUEFREIXWYVZDY-UHFFFAOYSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000033853105 132378025 /nfs/dbraw/zinc/37/80/25/132378025.db2.gz PPFGCPYWUXSQCL-QGZVFWFLSA-N 1 1 371.437 2.465 20 5 FEBDMO NC(=O)c1cc(OC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)ccn1 ZINC000093259820 542921903 /nfs/dbraw/zinc/92/19/03/542921903.db2.gz DXWXLMMFZJZTRV-UHFFFAOYSA-N 1 1 356.382 2.132 20 5 FEBDMO CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534792 542933785 /nfs/dbraw/zinc/93/37/85/542933785.db2.gz LVFSTVORMFQFSH-GFCCVEGCSA-N 1 1 360.370 2.446 20 5 FEBDMO CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534792 542933788 /nfs/dbraw/zinc/93/37/88/542933788.db2.gz LVFSTVORMFQFSH-GFCCVEGCSA-N 1 1 360.370 2.446 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](n3cccn3)C2)c([N+](=O)[O-])c1 ZINC000102410355 543069253 /nfs/dbraw/zinc/06/92/53/543069253.db2.gz DULGROOUKHETRG-CQSZACIVSA-N 1 1 373.413 2.466 20 5 FEBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)CC1 ZINC000106479602 543231517 /nfs/dbraw/zinc/23/15/17/543231517.db2.gz JQZXZPVFCWFLKZ-HNNXBMFYSA-N 1 1 355.442 2.359 20 5 FEBDMO CCN1CC[NH+]([C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)CC1 ZINC000106479589 543231663 /nfs/dbraw/zinc/23/16/63/543231663.db2.gz ZZRFOWVIODHPLP-KRWDZBQOSA-N 1 1 355.442 2.359 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106891934 543252777 /nfs/dbraw/zinc/25/27/77/543252777.db2.gz CUCHOAJESUUAKE-ZDUSSCGKSA-N 1 1 353.444 2.198 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000108403685 543288716 /nfs/dbraw/zinc/28/87/16/543288716.db2.gz YHVKLNNYEAADPK-LLVKDONJSA-N 1 1 359.835 2.011 20 5 FEBDMO Cc1c(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000108781678 543302687 /nfs/dbraw/zinc/30/26/87/543302687.db2.gz DLQNWOICJAJOAL-LBPRGKRZSA-N 1 1 362.386 2.334 20 5 FEBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000112079470 543429875 /nfs/dbraw/zinc/42/98/75/543429875.db2.gz SCVYYRFLUHZKCV-ZDUSSCGKSA-N 1 1 357.414 2.142 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+](CC(N)=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000112350662 543442653 /nfs/dbraw/zinc/44/26/53/543442653.db2.gz KDWOZTFEKOIQCV-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+](CC(N)=O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000112350662 543442654 /nfs/dbraw/zinc/44/26/54/543442654.db2.gz KDWOZTFEKOIQCV-UHFFFAOYSA-N 1 1 370.409 2.219 20 5 FEBDMO CCC[N@@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000247477952 549339792 /nfs/dbraw/zinc/33/97/92/549339792.db2.gz JWACMHMLHUDELQ-HRCADAONSA-N 1 1 354.451 2.068 20 5 FEBDMO C[NH+](C)CC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000116372085 543607856 /nfs/dbraw/zinc/60/78/56/543607856.db2.gz WUYGMBKZMPMRKC-CYBMUJFWSA-N 1 1 361.439 2.379 20 5 FEBDMO C[C@@H]1C[N@H+](CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000117748764 543639671 /nfs/dbraw/zinc/63/96/71/543639671.db2.gz AJAFTOJEJCPSRG-BETUJISGSA-N 1 1 369.849 2.406 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000118100251 543644236 /nfs/dbraw/zinc/64/42/36/543644236.db2.gz MQNLTVUSBAYECH-UHFFFAOYSA-N 1 1 362.430 2.222 20 5 FEBDMO Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000123716756 543779054 /nfs/dbraw/zinc/77/90/54/543779054.db2.gz WNOGLJFNWWAWGF-WBVHZDCISA-N 1 1 374.441 2.023 20 5 FEBDMO C[C@H]1C[C@H](N(C)C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@H+]1Cc1ccccc1 ZINC000123791574 543783438 /nfs/dbraw/zinc/78/34/38/543783438.db2.gz LRASCVSPZHMPLA-GOEBONIOSA-N 1 1 371.441 2.453 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000123984895 543794497 /nfs/dbraw/zinc/79/44/97/543794497.db2.gz FWTQTGIYXVJOSE-DGCLKSJQSA-N 1 1 353.444 2.061 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000123984895 543794500 /nfs/dbraw/zinc/79/45/00/543794500.db2.gz FWTQTGIYXVJOSE-DGCLKSJQSA-N 1 1 353.444 2.061 20 5 FEBDMO O=C(CCN1CCN(c2cc[nH+]cc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000125278147 543872436 /nfs/dbraw/zinc/87/24/36/543872436.db2.gz UAYJDOWHFVMCKX-UHFFFAOYSA-N 1 1 355.398 2.141 20 5 FEBDMO O=C1CC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]2N1C1CC1 ZINC000125332492 543875798 /nfs/dbraw/zinc/87/57/98/543875798.db2.gz RDTHLMPPGDIVHE-ZBFHGGJFSA-N 1 1 359.426 2.449 20 5 FEBDMO Nc1c(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000126828244 543958479 /nfs/dbraw/zinc/95/84/79/543958479.db2.gz BTPRUOJLRQYYHI-NHYWBVRUSA-N 1 1 362.405 2.405 20 5 FEBDMO C[C@@H]1CN(C[C@H](O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)C[C@@H](C)O1 ZINC000130209703 544143007 /nfs/dbraw/zinc/14/30/07/544143007.db2.gz YKESPKQWEQEJHH-CLCXKQKWSA-N 1 1 363.458 2.029 20 5 FEBDMO O=C1NC2(CCCC2)C(=O)N1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130736716 544162829 /nfs/dbraw/zinc/16/28/29/544162829.db2.gz DQIUNIFZSUTTRB-UHFFFAOYSA-N 1 1 372.425 2.424 20 5 FEBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000131505084 544193111 /nfs/dbraw/zinc/19/31/11/544193111.db2.gz ZUGGZSMGDMLJOM-HNNXBMFYSA-N 1 1 363.458 2.421 20 5 FEBDMO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000132648181 544239572 /nfs/dbraw/zinc/23/95/72/544239572.db2.gz FHQDWKYGXAGCGH-UHFFFAOYSA-N 1 1 368.386 2.306 20 5 FEBDMO COc1cc(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000134026650 544291784 /nfs/dbraw/zinc/29/17/84/544291784.db2.gz CQKZTKQDWJKEAQ-BETUJISGSA-N 1 1 365.430 2.221 20 5 FEBDMO COc1cc(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000134026650 544291785 /nfs/dbraw/zinc/29/17/85/544291785.db2.gz CQKZTKQDWJKEAQ-BETUJISGSA-N 1 1 365.430 2.221 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[NH+]1CCN(C)CC1 ZINC000134927815 544327479 /nfs/dbraw/zinc/32/74/79/544327479.db2.gz GPKJZYKTJWUSDW-MRXNPFEDSA-N 1 1 368.865 2.250 20 5 FEBDMO COc1ccccc1N1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000136804115 544379092 /nfs/dbraw/zinc/37/90/92/544379092.db2.gz SUZYNCRUFWSQFS-SFHVURJKSA-N 1 1 357.410 2.459 20 5 FEBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000137055954 544384145 /nfs/dbraw/zinc/38/41/45/544384145.db2.gz FRMUDUOCDKNRQB-HOCLYGCPSA-N 1 1 357.414 2.046 20 5 FEBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000150772123 544469491 /nfs/dbraw/zinc/46/94/91/544469491.db2.gz XSSDMBJINPVFKY-UHFFFAOYSA-N 1 1 355.460 2.337 20 5 FEBDMO C[N@H+](CCC(=O)OC(C)(C)C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000150942993 544488255 /nfs/dbraw/zinc/48/82/55/544488255.db2.gz CMNGMWCHKIBVNR-UHFFFAOYSA-N 1 1 363.414 2.148 20 5 FEBDMO C[N@@H+](CCC(=O)OC(C)(C)C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000150942993 544488258 /nfs/dbraw/zinc/48/82/58/544488258.db2.gz CMNGMWCHKIBVNR-UHFFFAOYSA-N 1 1 363.414 2.148 20 5 FEBDMO CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CCC2 ZINC000152477397 544659158 /nfs/dbraw/zinc/65/91/58/544659158.db2.gz WVVFGPBTSMKMKC-GXTWGEPZSA-N 1 1 365.459 2.181 20 5 FEBDMO CCOc1ccc(NC(=O)CN(C)C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000152509754 544663309 /nfs/dbraw/zinc/66/33/09/544663309.db2.gz ZVHXDMXLYUFWJN-AWEZNQCLSA-N 1 1 364.446 2.206 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 ZINC000153984251 544848283 /nfs/dbraw/zinc/84/82/83/544848283.db2.gz GUBJGWDBOGERGJ-UHFFFAOYSA-N 1 1 361.358 2.479 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000153942770 544843481 /nfs/dbraw/zinc/84/34/81/544843481.db2.gz YIETZHSOWMXRTK-KBXCAEBGSA-N 1 1 359.426 2.449 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000184101690 327851207 /nfs/dbraw/zinc/85/12/07/327851207.db2.gz QCAOCHGEEWSONY-KRWDZBQOSA-N 1 1 363.439 2.317 20 5 FEBDMO Cc1cccc(N2CCC(NC(=O)c3cc([N+](=O)[O-])ccc3N)CC2)[nH+]1 ZINC000184417560 327866892 /nfs/dbraw/zinc/86/68/92/327866892.db2.gz LSXQECLBCZWFOH-UHFFFAOYSA-N 1 1 355.398 2.279 20 5 FEBDMO Cc1ccc(N2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])c1Br ZINC000804429295 674286057 /nfs/dbraw/zinc/28/60/57/674286057.db2.gz CNUHOEWHIJPSLX-LLVKDONJSA-N 1 1 358.236 2.169 20 5 FEBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000187084983 328001167 /nfs/dbraw/zinc/00/11/67/328001167.db2.gz LUCQVCVVPYEVEQ-GFCCVEGCSA-N 1 1 350.419 2.326 20 5 FEBDMO C[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000187357277 328019336 /nfs/dbraw/zinc/01/93/36/328019336.db2.gz SWXYXEGXXWMOLI-OAHLLOKOSA-N 1 1 352.431 2.352 20 5 FEBDMO CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000188118725 328067238 /nfs/dbraw/zinc/06/72/38/328067238.db2.gz FDVQRFNMMUADAG-FQEVSTJZSA-N 1 1 369.421 2.304 20 5 FEBDMO CSc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000188174824 328071311 /nfs/dbraw/zinc/07/13/11/328071311.db2.gz VLPQAXSANFCVBD-ZDUSSCGKSA-N 1 1 365.455 2.111 20 5 FEBDMO CSc1cccc(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188662415 328102630 /nfs/dbraw/zinc/10/26/30/328102630.db2.gz HZZIISNPYOKHHN-LBPRGKRZSA-N 1 1 367.471 2.234 20 5 FEBDMO CSc1cccc(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000188662415 328102631 /nfs/dbraw/zinc/10/26/31/328102631.db2.gz HZZIISNPYOKHHN-LBPRGKRZSA-N 1 1 367.471 2.234 20 5 FEBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000189200599 328134391 /nfs/dbraw/zinc/13/43/91/328134391.db2.gz GVYCBJKFNLBFEH-CYBMUJFWSA-N 1 1 373.413 2.209 20 5 FEBDMO COC(=O)c1cnc(NCC[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000189339399 328141818 /nfs/dbraw/zinc/14/18/18/328141818.db2.gz CNZXRBBZQPRXPO-UHFFFAOYSA-N 1 1 362.361 2.459 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000189442842 328148522 /nfs/dbraw/zinc/14/85/22/328148522.db2.gz RQTXIDLABLVWRB-CYBMUJFWSA-N 1 1 354.426 2.428 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000191975608 328291280 /nfs/dbraw/zinc/29/12/80/328291280.db2.gz RNCVIKSNHOKDSQ-CQSZACIVSA-N 1 1 355.460 2.174 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193583480 328383525 /nfs/dbraw/zinc/38/35/25/328383525.db2.gz DIMFEYNWFSOPRS-KGLIPLIRSA-N 1 1 362.430 2.422 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000083028690 325211317 /nfs/dbraw/zinc/21/13/17/325211317.db2.gz TYMGRJAVNBZEHR-OKILXGFUSA-N 1 1 365.430 2.223 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)nc2c1 ZINC000083171829 325214083 /nfs/dbraw/zinc/21/40/83/325214083.db2.gz CUCJPLUTJAAGJJ-OAHLLOKOSA-N 1 1 360.414 2.423 20 5 FEBDMO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCC[C@@H]3CN3CCOCC3)nc2c1 ZINC000083171829 325214086 /nfs/dbraw/zinc/21/40/86/325214086.db2.gz CUCJPLUTJAAGJJ-OAHLLOKOSA-N 1 1 360.414 2.423 20 5 FEBDMO CC(C)[N@@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000087357045 325280599 /nfs/dbraw/zinc/28/05/99/325280599.db2.gz KKLCIPVPOJLJQD-UHFFFAOYSA-N 1 1 358.236 2.356 20 5 FEBDMO C[N@@H+](CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCCC1 ZINC000118132023 326084729 /nfs/dbraw/zinc/08/47/29/326084729.db2.gz ZRRNTVDIAINEJB-UHFFFAOYSA-N 1 1 368.821 2.177 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843823 326107324 /nfs/dbraw/zinc/10/73/24/326107324.db2.gz OJOGLGULLPDYFY-UONOGXRCSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+](C)CCC2CCOCC2)c([N+](=O)[O-])c1 ZINC000120549739 326267830 /nfs/dbraw/zinc/26/78/30/326267830.db2.gz BWIUWKLRJFZRNY-UHFFFAOYSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CC)C2)cc1OC ZINC000121500449 326343380 /nfs/dbraw/zinc/34/33/80/326343380.db2.gz WSNYVWZLSOCEQU-GFCCVEGCSA-N 1 1 351.403 2.074 20 5 FEBDMO C[NH+](C)[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccccc1 ZINC000135537549 326643646 /nfs/dbraw/zinc/64/36/46/326643646.db2.gz IUVFOGFUQOYTOG-QAPCUYQASA-N 1 1 369.425 2.306 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2n[nH]cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000162723887 327033047 /nfs/dbraw/zinc/03/30/47/327033047.db2.gz JOESIMHDLACJPM-HIFRSBDPSA-N 1 1 357.414 2.443 20 5 FEBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173247313 327243812 /nfs/dbraw/zinc/24/38/12/327243812.db2.gz WUCDAOJAAKNXIH-JQWIXIFHSA-N 1 1 361.851 2.209 20 5 FEBDMO C[C@@H](CCNC(=O)CCn1cc([N+](=O)[O-])cn1)[N@@H+](C)Cc1ccccc1 ZINC000173590652 327269408 /nfs/dbraw/zinc/26/94/08/327269408.db2.gz GLWDCADGXDMGCM-HNNXBMFYSA-N 1 1 359.430 2.208 20 5 FEBDMO Cc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000173671346 327275535 /nfs/dbraw/zinc/27/55/35/327275535.db2.gz QOJUJTYHZOXBDY-CQSZACIVSA-N 1 1 355.460 2.398 20 5 FEBDMO CN(CC(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000173761650 327282104 /nfs/dbraw/zinc/28/21/04/327282104.db2.gz YNMDNSIETWAOQC-UHFFFAOYSA-N 1 1 374.466 2.267 20 5 FEBDMO CN(CC(=O)NCC[N@H+]1CCc2sccc2C1)c1ccccc1[N+](=O)[O-] ZINC000173761650 327282105 /nfs/dbraw/zinc/28/21/05/327282105.db2.gz YNMDNSIETWAOQC-UHFFFAOYSA-N 1 1 374.466 2.267 20 5 FEBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000173829236 327287059 /nfs/dbraw/zinc/28/70/59/327287059.db2.gz INVPGAXPUYAYOQ-HUUCEWRRSA-N 1 1 367.471 2.459 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000175185043 327378700 /nfs/dbraw/zinc/37/87/00/327378700.db2.gz DYQAUXGZEDTOKO-UHFFFAOYSA-N 1 1 357.414 2.496 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000175185043 327378702 /nfs/dbraw/zinc/37/87/02/327378702.db2.gz DYQAUXGZEDTOKO-UHFFFAOYSA-N 1 1 357.414 2.496 20 5 FEBDMO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCC[NH2+]C1CCCCCC1 ZINC000261711672 328813720 /nfs/dbraw/zinc/81/37/20/328813720.db2.gz PRJROCKCHQFWQZ-UHFFFAOYSA-N 1 1 359.423 2.325 20 5 FEBDMO Cc1cc(NC[C@H]2C[N@H+](C)CCN2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264716655 329052322 /nfs/dbraw/zinc/05/23/22/329052322.db2.gz HEDMNHWCLDSYCV-INIZCTEOSA-N 1 1 356.430 2.018 20 5 FEBDMO Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264716655 329052325 /nfs/dbraw/zinc/05/23/25/329052325.db2.gz HEDMNHWCLDSYCV-INIZCTEOSA-N 1 1 356.430 2.018 20 5 FEBDMO Cc1cc(NC[C@H]2CN(C)CC[N@H+]2C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000264716655 329052327 /nfs/dbraw/zinc/05/23/27/329052327.db2.gz HEDMNHWCLDSYCV-INIZCTEOSA-N 1 1 356.430 2.018 20 5 FEBDMO CN1CC[N@@H+](C)C[C@@H]1CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000264968911 329079431 /nfs/dbraw/zinc/07/94/31/329079431.db2.gz QDVDTGOXJDNAIN-INIZCTEOSA-N 1 1 361.471 2.054 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000265996226 329180026 /nfs/dbraw/zinc/18/00/26/329180026.db2.gz NNOGVCYCESXVGK-OCCSQVGLSA-N 1 1 365.430 2.414 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000267479888 329331861 /nfs/dbraw/zinc/33/18/61/329331861.db2.gz UYFCITZMXVVAKW-BBRMVZONSA-N 1 1 371.441 2.277 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C)(OC)CC1 ZINC000271780520 329724430 /nfs/dbraw/zinc/72/44/30/329724430.db2.gz SBGSXDKDJBAEQR-LBPRGKRZSA-N 1 1 351.403 2.431 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367155194 330223445 /nfs/dbraw/zinc/22/34/45/330223445.db2.gz BHMLLRKULQGSRK-IRXDYDNUSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000367155194 330223446 /nfs/dbraw/zinc/22/34/46/330223446.db2.gz BHMLLRKULQGSRK-IRXDYDNUSA-N 1 1 363.414 2.112 20 5 FEBDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461428 330245012 /nfs/dbraw/zinc/24/50/12/330245012.db2.gz XWFNYAWNDVZEAF-QAPCUYQASA-N 1 1 360.414 2.295 20 5 FEBDMO CCOC(=O)C(C)(C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411383371 330256489 /nfs/dbraw/zinc/25/64/89/330256489.db2.gz USKGRIAJIMZSSW-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO CCOC(=O)C(C)(C)[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411383371 330256492 /nfs/dbraw/zinc/25/64/92/330256492.db2.gz USKGRIAJIMZSSW-UHFFFAOYSA-N 1 1 367.402 2.206 20 5 FEBDMO CN(C(=O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000155438552 545526195 /nfs/dbraw/zinc/52/61/95/545526195.db2.gz LTWCZZUUXXQBKF-UHFFFAOYSA-N 1 1 364.446 2.088 20 5 FEBDMO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000157735073 545774755 /nfs/dbraw/zinc/77/47/55/545774755.db2.gz NNJIRRLODZIWLL-CVEARBPZSA-N 1 1 369.425 2.445 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159444301 545953819 /nfs/dbraw/zinc/95/38/19/545953819.db2.gz KSVRFLVIDRCWRI-WFASDCNBSA-N 1 1 351.403 2.025 20 5 FEBDMO Cc1c(CNC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cccc1[N+](=O)[O-] ZINC000478412917 561166283 /nfs/dbraw/zinc/16/62/83/561166283.db2.gz AATQNBUTCWNYQJ-INIZCTEOSA-N 1 1 364.446 2.059 20 5 FEBDMO C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000161103511 546100971 /nfs/dbraw/zinc/10/09/71/546100971.db2.gz MZHGZDBOWQZSGW-NFAWXSAZSA-N 1 1 365.405 2.448 20 5 FEBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000172100703 546237146 /nfs/dbraw/zinc/23/71/46/546237146.db2.gz NRBRRJRJCJWRGB-OAHLLOKOSA-N 1 1 369.849 2.264 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000177772288 546682991 /nfs/dbraw/zinc/68/29/91/546682991.db2.gz OYSFGEZTNTZLCY-CABCVRRESA-N 1 1 361.398 2.080 20 5 FEBDMO C[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C[C@@H]1CCCC[C@H]1O ZINC000481357933 561231460 /nfs/dbraw/zinc/23/14/60/561231460.db2.gz HDPXDMUSPLKSNS-XJKSGUPXSA-N 1 1 363.414 2.376 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481737328 561240289 /nfs/dbraw/zinc/24/02/89/561240289.db2.gz CWZZAJTVSJGLJO-GOEBONIOSA-N 1 1 352.387 2.016 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000180475529 547114950 /nfs/dbraw/zinc/11/49/50/547114950.db2.gz TXTMPRKBJRQAOS-KRWDZBQOSA-N 1 1 369.421 2.482 20 5 FEBDMO C[N@H+](CCCn1ccnc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181108453 547250643 /nfs/dbraw/zinc/25/06/43/547250643.db2.gz CISUVKOHFNPCGE-UHFFFAOYSA-N 1 1 351.794 2.405 20 5 FEBDMO C[N@@H+](CCCn1ccnc1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181108453 547250650 /nfs/dbraw/zinc/25/06/50/547250650.db2.gz CISUVKOHFNPCGE-UHFFFAOYSA-N 1 1 351.794 2.405 20 5 FEBDMO C[C@H](O)C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000181785616 547380176 /nfs/dbraw/zinc/38/01/76/547380176.db2.gz WWUPUHLZUIOSLY-HOCLYGCPSA-N 1 1 352.431 2.350 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000184821292 547883062 /nfs/dbraw/zinc/88/30/62/547883062.db2.gz CRIYRLLBWRAWNA-WBVHZDCISA-N 1 1 363.458 2.248 20 5 FEBDMO O=C(C[N@@H+](CCO)CC1CCCCC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000485857103 561330140 /nfs/dbraw/zinc/33/01/40/561330140.db2.gz TXRXDRLTWVNQBP-UHFFFAOYSA-N 1 1 361.442 2.359 20 5 FEBDMO CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187013446 548240113 /nfs/dbraw/zinc/24/01/13/548240113.db2.gz MRHDLUHMLFHKQE-MNEFBYGVSA-N 1 1 365.474 2.355 20 5 FEBDMO CCOCCC[N@H+]1CC[C@H](NC[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187013446 548240117 /nfs/dbraw/zinc/24/01/17/548240117.db2.gz MRHDLUHMLFHKQE-MNEFBYGVSA-N 1 1 365.474 2.355 20 5 FEBDMO CCOCCCN1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187013446 548240125 /nfs/dbraw/zinc/24/01/25/548240125.db2.gz MRHDLUHMLFHKQE-MNEFBYGVSA-N 1 1 365.474 2.355 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000194620302 548507147 /nfs/dbraw/zinc/50/71/47/548507147.db2.gz NDQLCUPXARTSFX-INIZCTEOSA-N 1 1 360.458 2.145 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000245395552 548905969 /nfs/dbraw/zinc/90/59/69/548905969.db2.gz HZBOWQDSWHSRSB-KBPBESRZSA-N 1 1 362.430 2.208 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CCC(N)=O)C2)cccc1[N+](=O)[O-] ZINC000245395552 548905974 /nfs/dbraw/zinc/90/59/74/548905974.db2.gz HZBOWQDSWHSRSB-KBPBESRZSA-N 1 1 362.430 2.208 20 5 FEBDMO O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000245632305 548961927 /nfs/dbraw/zinc/96/19/27/548961927.db2.gz UABNMCQRFCLOLC-ROUUACIJSA-N 1 1 370.409 2.352 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000488046109 561382066 /nfs/dbraw/zinc/38/20/66/561382066.db2.gz UPQFNXUXXVBJGT-CZUORRHYSA-N 1 1 364.446 2.202 20 5 FEBDMO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H](O)COC[C@H]2CCCO2)C2CC2)cc1 ZINC000245910228 549017718 /nfs/dbraw/zinc/01/77/18/549017718.db2.gz VLOLPNIIFNQKBE-QZTJIDSGSA-N 1 1 350.415 2.116 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246053158 549042105 /nfs/dbraw/zinc/04/21/05/549042105.db2.gz COMNPTHEIYKAHK-DZGCQCFKSA-N 1 1 355.460 2.254 20 5 FEBDMO CC(=O)N1CC[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246196318 549075029 /nfs/dbraw/zinc/07/50/29/549075029.db2.gz DORRYTFECQBDFW-DZGCQCFKSA-N 1 1 362.430 2.030 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1C ZINC000246540421 549156065 /nfs/dbraw/zinc/15/60/65/549156065.db2.gz CWPYYBONVCZOQR-LSDHHAIUSA-N 1 1 367.471 2.316 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246625017 549177684 /nfs/dbraw/zinc/17/76/84/549177684.db2.gz KCXDKUOWERRCOQ-BBRMVZONSA-N 1 1 363.414 2.433 20 5 FEBDMO C[C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000246748487 549202906 /nfs/dbraw/zinc/20/29/06/549202906.db2.gz ZRBQSYSJSDZYCU-LSDHHAIUSA-N 1 1 369.487 2.177 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246836222 549224667 /nfs/dbraw/zinc/22/46/67/549224667.db2.gz KIANFSXOAYDWNZ-HZPDHXFCSA-N 1 1 365.455 2.438 20 5 FEBDMO O=C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000246983819 549256670 /nfs/dbraw/zinc/25/66/70/549256670.db2.gz WBLLTRQOKAHFFW-YOEHRIQHSA-N 1 1 358.442 2.482 20 5 FEBDMO CCOc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000247372977 549325696 /nfs/dbraw/zinc/32/56/96/549325696.db2.gz KYOOBARLLNHGKB-OCCSQVGLSA-N 1 1 365.430 2.414 20 5 FEBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000247923386 549392129 /nfs/dbraw/zinc/39/21/29/549392129.db2.gz CGDKQXUJEYFJJM-HOTGVXAUSA-N 1 1 367.471 2.026 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CCO[C@@H]1C ZINC000489395448 561409873 /nfs/dbraw/zinc/40/98/73/561409873.db2.gz CTWVZFUNRSBULI-RHSMWYFYSA-N 1 1 365.430 2.358 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(F)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248504510 549451115 /nfs/dbraw/zinc/45/11/15/549451115.db2.gz VQTYLUKZKKHOCG-XHDPSFHLSA-N 1 1 373.450 2.393 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000249183938 549565743 /nfs/dbraw/zinc/56/57/43/549565743.db2.gz NQVMFRPRYYQSMP-STQMWFEESA-N 1 1 371.459 2.002 20 5 FEBDMO C[N@@H+]1CCC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272327 549574475 /nfs/dbraw/zinc/57/44/75/549574475.db2.gz KVEAIWADEZBDKG-CXAGYDPISA-N 1 1 364.421 2.479 20 5 FEBDMO C[N@H+]1CCC[C@@H]2CN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)CC[C@H]21 ZINC000249272327 549574479 /nfs/dbraw/zinc/57/44/79/549574479.db2.gz KVEAIWADEZBDKG-CXAGYDPISA-N 1 1 364.421 2.479 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000249583263 549607707 /nfs/dbraw/zinc/60/77/07/549607707.db2.gz RYMNPCLIEHOITL-FZKQIMNGSA-N 1 1 365.430 2.415 20 5 FEBDMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000261622844 549735807 /nfs/dbraw/zinc/73/58/07/549735807.db2.gz AJINPEBMMDIDRP-KRWDZBQOSA-N 1 1 355.394 2.319 20 5 FEBDMO C[C@@H]1CN(C[C@@H](O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C[C@H](C)O1 ZINC000490446662 561433338 /nfs/dbraw/zinc/43/33/38/561433338.db2.gz BXNZJNKTRMDTNA-ZRGWGRIASA-N 1 1 363.458 2.029 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(c3ccc(C(=O)NC4CC4)cc3[N+](=O)[O-])CC[C@H]21 ZINC000268791499 550116470 /nfs/dbraw/zinc/11/64/70/550116470.db2.gz AGTFBTFJZKKKOK-GOEBONIOSA-N 1 1 358.442 2.408 20 5 FEBDMO CN(C(=O)C[N@H+](CCCO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000269010923 550143939 /nfs/dbraw/zinc/14/39/39/550143939.db2.gz VETVZBNQXFONRF-UHFFFAOYSA-N 1 1 357.410 2.442 20 5 FEBDMO CN(C(=O)C[N@@H+](CCCO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000269010923 550143943 /nfs/dbraw/zinc/14/39/43/550143943.db2.gz VETVZBNQXFONRF-UHFFFAOYSA-N 1 1 357.410 2.442 20 5 FEBDMO CCCc1[nH+]ccn1CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269376428 550187741 /nfs/dbraw/zinc/18/77/41/550187741.db2.gz QVSAEIYEJOEIPQ-UHFFFAOYSA-N 1 1 357.414 2.093 20 5 FEBDMO CC(C)c1n[nH]c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000269545058 550205259 /nfs/dbraw/zinc/20/52/59/550205259.db2.gz WHYSOMWGANGZAP-UHFFFAOYSA-N 1 1 363.393 2.442 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000269652851 550214081 /nfs/dbraw/zinc/21/40/81/550214081.db2.gz GYIOCPHRUBKEBH-GOSISDBHSA-N 1 1 355.394 2.392 20 5 FEBDMO C[C@]1(C2CC[NH+](Cc3c(Cl)cccc3[N+](=O)[O-])CC2)NC(=O)NC1=O ZINC000493391761 561455817 /nfs/dbraw/zinc/45/58/17/561455817.db2.gz WTIXDMLTYCMRTP-MRXNPFEDSA-N 1 1 366.805 2.058 20 5 FEBDMO COc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc([N+](=O)[O-])c1OC ZINC000269859059 550231129 /nfs/dbraw/zinc/23/11/29/550231129.db2.gz UYFRQKFQKGHERM-CQSZACIVSA-N 1 1 365.430 2.462 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000270803582 550308575 /nfs/dbraw/zinc/30/85/75/550308575.db2.gz OAUAGITYTWCIQS-CQSZACIVSA-N 1 1 357.414 2.065 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272463565 550450585 /nfs/dbraw/zinc/45/05/85/550450585.db2.gz SERFFOWZIIIUMY-RISCZKNCSA-N 1 1 373.862 2.271 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272463565 550450586 /nfs/dbraw/zinc/45/05/86/550450586.db2.gz SERFFOWZIIIUMY-RISCZKNCSA-N 1 1 373.862 2.271 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CCCO)Cc1ccccc1 ZINC000273278221 550493003 /nfs/dbraw/zinc/49/30/03/550493003.db2.gz CXGCYHFKLCVBNX-KRWDZBQOSA-N 1 1 360.410 2.219 20 5 FEBDMO COCC[N@H+](Cc1ccc(C)o1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273368512 550495933 /nfs/dbraw/zinc/49/59/33/550495933.db2.gz RIRUDCGMPNYSHL-OAHLLOKOSA-N 1 1 364.398 2.385 20 5 FEBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000495041879 561481548 /nfs/dbraw/zinc/48/15/48/561481548.db2.gz VDTWXQFNNGRTFL-ZDUSSCGKSA-N 1 1 367.471 2.500 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCO1 ZINC000278505679 550793274 /nfs/dbraw/zinc/79/32/74/550793274.db2.gz LUNCOXYKUDUWFW-GFCCVEGCSA-N 1 1 355.822 2.479 20 5 FEBDMO CC[C@H]1CN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@H+]1C[C@@H](C)O ZINC000278524920 550795274 /nfs/dbraw/zinc/79/52/74/550795274.db2.gz ZIZBJEUFAJXMEC-MNOVXSKESA-N 1 1 362.352 2.290 20 5 FEBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278799876 550823486 /nfs/dbraw/zinc/82/34/86/550823486.db2.gz XOQSTOYLTMVSHF-MLGOLLRUSA-N 1 1 372.429 2.097 20 5 FEBDMO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000495207014 561484466 /nfs/dbraw/zinc/48/44/66/561484466.db2.gz ATVKSFHSUZDBNU-INIZCTEOSA-N 1 1 362.430 2.175 20 5 FEBDMO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000495207014 561484467 /nfs/dbraw/zinc/48/44/67/561484467.db2.gz ATVKSFHSUZDBNU-INIZCTEOSA-N 1 1 362.430 2.175 20 5 FEBDMO CCOCC[NH+]1CCN(C(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000279297645 550874941 /nfs/dbraw/zinc/87/49/41/550874941.db2.gz MZEGWSNKDBHFFW-UHFFFAOYSA-N 1 1 373.812 2.111 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000280485868 550999190 /nfs/dbraw/zinc/99/91/90/550999190.db2.gz LVYMLRVGSJJLIO-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@](C)(OC)CC1 ZINC000280485868 550999191 /nfs/dbraw/zinc/99/91/91/550999191.db2.gz LVYMLRVGSJJLIO-KRWDZBQOSA-N 1 1 351.403 2.433 20 5 FEBDMO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000280696479 551022459 /nfs/dbraw/zinc/02/24/59/551022459.db2.gz JWBTTXWOUUEQJG-CQSZACIVSA-N 1 1 373.461 2.137 20 5 FEBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000281077729 551061088 /nfs/dbraw/zinc/06/10/88/551061088.db2.gz BGHJLWGGIWRBDI-LBPRGKRZSA-N 1 1 359.423 2.147 20 5 FEBDMO CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000281634842 551123504 /nfs/dbraw/zinc/12/35/04/551123504.db2.gz AAKRWYRWPBAPRV-UHFFFAOYSA-N 1 1 366.487 2.073 20 5 FEBDMO CC[N@H+](CCOCCO)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282171893 551189901 /nfs/dbraw/zinc/18/99/01/551189901.db2.gz VEKYQPQYLZSLEO-LBPRGKRZSA-N 1 1 350.375 2.037 20 5 FEBDMO CC[N@@H+](CCOCCO)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000282171893 551189904 /nfs/dbraw/zinc/18/99/04/551189904.db2.gz VEKYQPQYLZSLEO-LBPRGKRZSA-N 1 1 350.375 2.037 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cccc(S(C)(=O)=O)c2[N+](=O)[O-])C1 ZINC000497516478 561502757 /nfs/dbraw/zinc/50/27/57/561502757.db2.gz OPDQIJPOVBSVGW-ZDUSSCGKSA-N 1 1 355.460 2.166 20 5 FEBDMO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC000283444751 551367187 /nfs/dbraw/zinc/36/71/87/551367187.db2.gz XUUQJQZBOGZHDP-CYBMUJFWSA-N 1 1 371.459 2.069 20 5 FEBDMO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H](C)CS(=O)(=O)CC ZINC000283444751 551367188 /nfs/dbraw/zinc/36/71/88/551367188.db2.gz XUUQJQZBOGZHDP-CYBMUJFWSA-N 1 1 371.459 2.069 20 5 FEBDMO C[N@@H+]1CC[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284271743 551512411 /nfs/dbraw/zinc/51/24/11/551512411.db2.gz MUXWWSDOZLCLJW-FUHWJXTLSA-N 1 1 354.410 2.229 20 5 FEBDMO C[N@H+]1CC[C@H](NCc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000284271743 551512413 /nfs/dbraw/zinc/51/24/13/551512413.db2.gz MUXWWSDOZLCLJW-FUHWJXTLSA-N 1 1 354.410 2.229 20 5 FEBDMO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285497393 551765440 /nfs/dbraw/zinc/76/54/40/551765440.db2.gz MMVHKEDRTQEPAN-FKEKPDDDSA-N 1 1 358.442 2.041 20 5 FEBDMO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000285589986 551779501 /nfs/dbraw/zinc/77/95/01/551779501.db2.gz IPIBMFBTJAJQOG-JQWIXIFHSA-N 1 1 353.325 2.359 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000498988585 561540215 /nfs/dbraw/zinc/54/02/15/561540215.db2.gz BFSAPRWYPLPNFN-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000499097776 561543344 /nfs/dbraw/zinc/54/33/44/561543344.db2.gz QTTKYERXEGBKBQ-NSHDSACASA-N 1 1 361.851 2.319 20 5 FEBDMO Nc1nc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ncc1[N+](=O)[O-] ZINC000286497004 551892792 /nfs/dbraw/zinc/89/27/92/551892792.db2.gz XUZPEEWLZRXIFP-SFHVURJKSA-N 1 1 354.414 2.069 20 5 FEBDMO COC(=O)c1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000499203231 561545736 /nfs/dbraw/zinc/54/57/36/561545736.db2.gz FXFHRAXEKOUGAI-ZDUSSCGKSA-N 1 1 363.414 2.376 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000499282648 561547670 /nfs/dbraw/zinc/54/76/70/561547670.db2.gz KEVILUFFNBGXGZ-UHFFFAOYSA-N 1 1 373.394 2.160 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287439605 552004411 /nfs/dbraw/zinc/00/44/11/552004411.db2.gz QAAOWADFQNKPSW-HNNXBMFYSA-N 1 1 374.441 2.176 20 5 FEBDMO C[C@@H]1C[N@@H+](CCCNc2nc3ccc([N+](=O)[O-])cc3c(=O)[nH]2)CCCO1 ZINC000287782188 552045844 /nfs/dbraw/zinc/04/58/44/552045844.db2.gz OJLGEUYVDJWEIR-GFCCVEGCSA-N 1 1 361.402 2.156 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000499726148 561557113 /nfs/dbraw/zinc/55/71/13/561557113.db2.gz WQSBQUYVHNKCOF-AWEZNQCLSA-N 1 1 372.429 2.170 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000500090088 561565749 /nfs/dbraw/zinc/56/57/49/561565749.db2.gz OKBDPWHYTTXAPP-OAHLLOKOSA-N 1 1 374.441 2.258 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000290296488 552456088 /nfs/dbraw/zinc/45/60/88/552456088.db2.gz DQNFQXSEHWHBGE-LLVKDONJSA-N 1 1 370.837 2.423 20 5 FEBDMO C[C@@H]1C[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C[N@H+]1Cc1ccccc1 ZINC000290539496 552495271 /nfs/dbraw/zinc/49/52/71/552495271.db2.gz DYRYQYCZHSHPBG-OCCSQVGLSA-N 1 1 355.398 2.164 20 5 FEBDMO Cc1cc(N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000291054751 552581163 /nfs/dbraw/zinc/58/11/63/552581163.db2.gz ZVLPNLMXOHZQIC-UHFFFAOYSA-N 1 1 364.421 2.177 20 5 FEBDMO Cc1cc(N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000291054751 552581164 /nfs/dbraw/zinc/58/11/64/552581164.db2.gz ZVLPNLMXOHZQIC-UHFFFAOYSA-N 1 1 364.421 2.177 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000291188498 552597561 /nfs/dbraw/zinc/59/75/61/552597561.db2.gz GIWCAXWQYVIBCY-UHFFFAOYSA-N 1 1 351.403 2.225 20 5 FEBDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000291262849 552607561 /nfs/dbraw/zinc/60/75/61/552607561.db2.gz XEQGBSCIYUSLAF-SPUZQDLCSA-N 1 1 363.458 2.408 20 5 FEBDMO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1[N+](=O)[O-] ZINC000291911098 552674079 /nfs/dbraw/zinc/67/40/79/552674079.db2.gz QQMIYHLMSLOEAK-HIFRSBDPSA-N 1 1 357.414 2.030 20 5 FEBDMO CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1[N+](=O)[O-] ZINC000291984707 552681584 /nfs/dbraw/zinc/68/15/84/552681584.db2.gz ZJDNHJRMHPMQHH-WFASDCNBSA-N 1 1 357.414 2.273 20 5 FEBDMO COCCSCCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293116781 552790237 /nfs/dbraw/zinc/79/02/37/552790237.db2.gz MCKGJEGJNJGLSH-UHFFFAOYSA-N 1 1 367.471 2.122 20 5 FEBDMO COCC1(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000293377678 552817234 /nfs/dbraw/zinc/81/72/34/552817234.db2.gz IELKLKRPBAYKIJ-KRWDZBQOSA-N 1 1 374.441 2.451 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000293415563 552821092 /nfs/dbraw/zinc/82/10/92/552821092.db2.gz NJQWNAXGOVWYKN-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO CN(CCCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000293415563 552821093 /nfs/dbraw/zinc/82/10/93/552821093.db2.gz NJQWNAXGOVWYKN-UHFFFAOYSA-N 1 1 356.854 2.204 20 5 FEBDMO COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000294963101 552947671 /nfs/dbraw/zinc/94/76/71/552947671.db2.gz FDDNVOQRAWLRBB-MRXNPFEDSA-N 1 1 374.340 2.208 20 5 FEBDMO COC[C@@]1(C(=O)OC)CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000294963101 552947672 /nfs/dbraw/zinc/94/76/72/552947672.db2.gz FDDNVOQRAWLRBB-MRXNPFEDSA-N 1 1 374.340 2.208 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N1C[C@H]([NH+]2CCOCC2)C[C@H]1C ZINC000295647382 553038978 /nfs/dbraw/zinc/03/89/78/553038978.db2.gz FUESRKBIAHTULK-ZIAGYGMSSA-N 1 1 372.425 2.451 20 5 FEBDMO Cc1cc(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)cn2cc[nH+]c12 ZINC000502789533 561625529 /nfs/dbraw/zinc/62/55/29/561625529.db2.gz ACTQLOXIFKDURW-UHFFFAOYSA-N 1 1 367.365 2.310 20 5 FEBDMO Cc1cc(NC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cn2cc[nH+]c12 ZINC000502800251 561625756 /nfs/dbraw/zinc/62/57/56/561625756.db2.gz XBIWKRXNVCUUMT-UHFFFAOYSA-N 1 1 374.378 2.207 20 5 FEBDMO CC(C)[C@@H](CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000296680295 553197374 /nfs/dbraw/zinc/19/73/74/553197374.db2.gz XBCZTCFIDTYLFR-WMLDXEAASA-N 1 1 364.446 2.312 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CCO ZINC000297713335 553328852 /nfs/dbraw/zinc/32/88/52/553328852.db2.gz BCEUORVESMXINY-CYBMUJFWSA-N 1 1 351.403 2.169 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000297923800 553358078 /nfs/dbraw/zinc/35/80/78/553358078.db2.gz QSAARPPZMVPUDA-AWEZNQCLSA-N 1 1 362.430 2.141 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000297924992 553358277 /nfs/dbraw/zinc/35/82/77/553358277.db2.gz ZMXBSWFRNYAUPO-SECBINFHSA-N 1 1 357.208 2.431 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000297941951 553360326 /nfs/dbraw/zinc/36/03/26/553360326.db2.gz AJBBCFACBVKEAC-TZMCWYRMSA-N 1 1 351.403 2.431 20 5 FEBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298056411 553378088 /nfs/dbraw/zinc/37/80/88/553378088.db2.gz IIPLAEDLCCRMCS-SNVBAGLBSA-N 1 1 356.810 2.033 20 5 FEBDMO CCOC1CC([N@@H+](C)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000298555637 553440161 /nfs/dbraw/zinc/44/01/61/553440161.db2.gz OSRJXBZSPLAFQE-UHFFFAOYSA-N 1 1 351.403 2.431 20 5 FEBDMO COC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000298708026 553461520 /nfs/dbraw/zinc/46/15/20/553461520.db2.gz GTXHJHIIBNFLDI-VIFPVBQESA-N 1 1 362.329 2.446 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000299204606 553530548 /nfs/dbraw/zinc/53/05/48/553530548.db2.gz GCTTUZBIIKVMCP-GFCCVEGCSA-N 1 1 374.441 2.093 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](CC(C)(C)O)C1CC1 ZINC000299334382 553549275 /nfs/dbraw/zinc/54/92/75/553549275.db2.gz OMTPGWUBTNGFQZ-UHFFFAOYSA-N 1 1 351.403 2.167 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000299469477 553567447 /nfs/dbraw/zinc/56/74/47/553567447.db2.gz NTNZHTAUAAOKED-ZIAGYGMSSA-N 1 1 362.430 2.160 20 5 FEBDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000299469477 553567448 /nfs/dbraw/zinc/56/74/48/553567448.db2.gz NTNZHTAUAAOKED-ZIAGYGMSSA-N 1 1 362.430 2.160 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(NCc3ccc(C[NH+]4CCOCC4)cc3)nn21 ZINC000301829903 553683268 /nfs/dbraw/zinc/68/32/68/553683268.db2.gz HFKQWIKHWJCEJS-UHFFFAOYSA-N 1 1 368.397 2.082 20 5 FEBDMO C[C@H](CNc1c(Br)cncc1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000301897433 553689674 /nfs/dbraw/zinc/68/96/74/553689674.db2.gz RFIGNSRQFFGSNZ-SNVBAGLBSA-N 1 1 359.224 2.133 20 5 FEBDMO C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000302491213 553718620 /nfs/dbraw/zinc/71/86/20/553718620.db2.gz KDGBVUPUVSINOL-SNVBAGLBSA-N 1 1 373.251 2.034 20 5 FEBDMO COCC[N@@H+](C)CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]1)c1ccccc1 ZINC000505518463 561672850 /nfs/dbraw/zinc/67/28/50/561672850.db2.gz DKBDQLFCRGJOBG-INIZCTEOSA-N 1 1 360.414 2.362 20 5 FEBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000318976189 553762921 /nfs/dbraw/zinc/76/29/21/553762921.db2.gz FLYZUXAHQTVOSJ-UWVGGRQHSA-N 1 1 369.219 2.061 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000326823489 553783529 /nfs/dbraw/zinc/78/35/29/553783529.db2.gz YICSJNVIQLPBEM-OAHLLOKOSA-N 1 1 373.862 2.273 20 5 FEBDMO [NH3+]CCC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000327781164 553791372 /nfs/dbraw/zinc/79/13/72/553791372.db2.gz XQHAECPTMMCEDO-AWEZNQCLSA-N 1 1 367.402 2.492 20 5 FEBDMO Cc1nn(Cc2ccc(C(=O)N3CC[N@@H+](C)C[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000330673469 554155585 /nfs/dbraw/zinc/15/55/85/554155585.db2.gz PILPPPVMCNVXES-CYBMUJFWSA-N 1 1 371.441 2.233 20 5 FEBDMO Cc1nn(Cc2ccc(C(=O)N3CC[N@H+](C)C[C@H]3C)cc2)c(C)c1[N+](=O)[O-] ZINC000330673469 554155586 /nfs/dbraw/zinc/15/55/86/554155586.db2.gz PILPPPVMCNVXES-CYBMUJFWSA-N 1 1 371.441 2.233 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000330720124 554162763 /nfs/dbraw/zinc/16/27/63/554162763.db2.gz WTTBCYVYJISHHM-ZFWWWQNUSA-N 1 1 355.460 2.366 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000330720124 554162764 /nfs/dbraw/zinc/16/27/64/554162764.db2.gz WTTBCYVYJISHHM-ZFWWWQNUSA-N 1 1 355.460 2.366 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cnn(CC(F)F)c3)C2)nc1 ZINC000508676020 561769395 /nfs/dbraw/zinc/76/93/95/561769395.db2.gz BYVXPOMBSXVVDH-GFCCVEGCSA-N 1 1 352.345 2.138 20 5 FEBDMO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3cnn(CC(F)F)c3)C2)nc1 ZINC000508676020 561769396 /nfs/dbraw/zinc/76/93/96/561769396.db2.gz BYVXPOMBSXVVDH-GFCCVEGCSA-N 1 1 352.345 2.138 20 5 FEBDMO Cc1ccc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000331314275 554246165 /nfs/dbraw/zinc/24/61/65/554246165.db2.gz WVCUQOYIGNGZEY-ZIAGYGMSSA-N 1 1 355.460 2.302 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000331728864 554316877 /nfs/dbraw/zinc/31/68/77/554316877.db2.gz NWXWJOHAUGMENC-HNNXBMFYSA-N 1 1 360.414 2.313 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000331824934 554325894 /nfs/dbraw/zinc/32/58/94/554325894.db2.gz WOOGGEIEKRWIJH-QLFBSQMISA-N 1 1 363.462 2.390 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000332225120 554404467 /nfs/dbraw/zinc/40/44/67/554404467.db2.gz BOTOTGFWLHIZTD-UONOGXRCSA-N 1 1 353.444 2.117 20 5 FEBDMO C[N@H+]1CCCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 ZINC000332246180 554409104 /nfs/dbraw/zinc/40/91/04/554409104.db2.gz WYLXWSHIXCOHGR-UHFFFAOYSA-N 1 1 361.320 2.314 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000332386331 554436711 /nfs/dbraw/zinc/43/67/11/554436711.db2.gz YAHNNDZSVXCYRU-UONOGXRCSA-N 1 1 353.444 2.156 20 5 FEBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000332386331 554436712 /nfs/dbraw/zinc/43/67/12/554436712.db2.gz YAHNNDZSVXCYRU-UONOGXRCSA-N 1 1 353.444 2.156 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[NH+](C3CCCC3)CC2)c(C)cc1[N+](=O)[O-] ZINC000332490703 554455849 /nfs/dbraw/zinc/45/58/49/554455849.db2.gz ZMZPBMRJLANYMT-UHFFFAOYSA-N 1 1 367.471 2.461 20 5 FEBDMO CCc1nn(C)c(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1[N+](=O)[O-] ZINC000362337127 554965189 /nfs/dbraw/zinc/96/51/89/554965189.db2.gz SRTJGQJKQHNCKI-WFASDCNBSA-N 1 1 361.450 2.119 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000511923476 561885762 /nfs/dbraw/zinc/88/57/62/561885762.db2.gz QCUHYTMCZGMFEY-HNNXBMFYSA-N 1 1 362.430 2.242 20 5 FEBDMO COc1ccc(CSCC(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000512117209 561893035 /nfs/dbraw/zinc/89/30/35/561893035.db2.gz RVSQMCWSVUCMTL-STQMWFEESA-N 1 1 367.471 2.388 20 5 FEBDMO COc1ccc(CSCC(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000512117209 561893037 /nfs/dbraw/zinc/89/30/37/561893037.db2.gz RVSQMCWSVUCMTL-STQMWFEESA-N 1 1 367.471 2.388 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000364066335 555243872 /nfs/dbraw/zinc/24/38/72/555243872.db2.gz YMABTOCGHNSEML-AWEZNQCLSA-N 1 1 373.388 2.221 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000364066335 555243874 /nfs/dbraw/zinc/24/38/74/555243874.db2.gz YMABTOCGHNSEML-AWEZNQCLSA-N 1 1 373.388 2.221 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CCOC4(CCOCC4)CC3)o2)cc1 ZINC000364264967 555280836 /nfs/dbraw/zinc/28/08/36/555280836.db2.gz SFGVOWVCPYFNCL-UHFFFAOYSA-N 1 1 374.397 2.416 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCOC4(CCOCC4)CC3)o2)cc1 ZINC000364264967 555280838 /nfs/dbraw/zinc/28/08/38/555280838.db2.gz SFGVOWVCPYFNCL-UHFFFAOYSA-N 1 1 374.397 2.416 20 5 FEBDMO O=C1Nc2ccccc2[C@]12CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000364451237 555316523 /nfs/dbraw/zinc/31/65/23/555316523.db2.gz XMDLDGNAIYCKNU-PKOBYXMFSA-N 1 1 353.378 2.224 20 5 FEBDMO C[N@@H+](Cc1ccccc1)C1CN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000512415607 561904000 /nfs/dbraw/zinc/90/40/00/561904000.db2.gz NDCBVKHTVVAAGH-UHFFFAOYSA-N 1 1 355.394 2.316 20 5 FEBDMO Cn1cc[nH+]c1N1CCC(Nc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000364608696 555351221 /nfs/dbraw/zinc/35/12/21/555351221.db2.gz RVXMWLNANNFDSD-UHFFFAOYSA-N 1 1 370.413 2.294 20 5 FEBDMO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O ZINC000512485817 561907241 /nfs/dbraw/zinc/90/72/41/561907241.db2.gz JFYULDZYTSVNIJ-CPXRIJMVSA-N 1 1 353.444 2.155 20 5 FEBDMO CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)[S@@]1=O ZINC000512485817 561907243 /nfs/dbraw/zinc/90/72/43/561907243.db2.gz JFYULDZYTSVNIJ-CPXRIJMVSA-N 1 1 353.444 2.155 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000364839912 555412661 /nfs/dbraw/zinc/41/26/61/555412661.db2.gz DCGFZERRTGXLTR-UHFFFAOYSA-N 1 1 362.430 2.032 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000365189797 555506154 /nfs/dbraw/zinc/50/61/54/555506154.db2.gz DQJXXWPXYJXIIJ-WFASDCNBSA-N 1 1 363.805 2.043 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000365449189 555579159 /nfs/dbraw/zinc/57/91/59/555579159.db2.gz XWEHDGQXKCSMSO-RKNYENMMSA-N 1 1 353.444 2.075 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[S@](=O)CC[C@@H]1C ZINC000365449189 555579162 /nfs/dbraw/zinc/57/91/62/555579162.db2.gz XWEHDGQXKCSMSO-RKNYENMMSA-N 1 1 353.444 2.075 20 5 FEBDMO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365546346 555605273 /nfs/dbraw/zinc/60/52/73/555605273.db2.gz KZZKIEKOBFMIGS-PEYYIBSZSA-N 1 1 355.398 2.027 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365546346 555605275 /nfs/dbraw/zinc/60/52/75/555605275.db2.gz KZZKIEKOBFMIGS-PEYYIBSZSA-N 1 1 355.398 2.027 20 5 FEBDMO O=C(c1[nH]nc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365546346 555605278 /nfs/dbraw/zinc/60/52/78/555605278.db2.gz KZZKIEKOBFMIGS-PEYYIBSZSA-N 1 1 355.398 2.027 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365550002 555606332 /nfs/dbraw/zinc/60/63/32/555606332.db2.gz SNKBPUVQYFMSOF-QGPMSJSTSA-N 1 1 358.442 2.258 20 5 FEBDMO CCc1[nH]nc(C(=O)N(C)C2CC[NH+](Cc3ccncc3)CC2)c1[N+](=O)[O-] ZINC000365553336 555606985 /nfs/dbraw/zinc/60/69/85/555606985.db2.gz XQQRORSCOFGOOH-UHFFFAOYSA-N 1 1 372.429 2.012 20 5 FEBDMO Cc1c(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000365555971 555607841 /nfs/dbraw/zinc/60/78/41/555607841.db2.gz WWXUNODSELMVBR-APHBMKBZSA-N 1 1 374.397 2.368 20 5 FEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3c(F)cccc3F)CC2)n1 ZINC000365818864 555674587 /nfs/dbraw/zinc/67/45/87/555674587.db2.gz HLLORVZBWQUSSQ-CQSZACIVSA-N 1 1 352.341 2.440 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC1 ZINC000366422765 555839431 /nfs/dbraw/zinc/83/94/31/555839431.db2.gz WFBHPPGOZSHCFL-UHFFFAOYSA-N 1 1 358.354 2.306 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366555592 555875390 /nfs/dbraw/zinc/87/53/90/555875390.db2.gz FSJGAQLMWZBNCA-CHWSQXEVSA-N 1 1 365.434 2.160 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366555592 555875391 /nfs/dbraw/zinc/87/53/91/555875391.db2.gz FSJGAQLMWZBNCA-CHWSQXEVSA-N 1 1 365.434 2.160 20 5 FEBDMO CC(=O)c1cc(N2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000367437466 556048628 /nfs/dbraw/zinc/04/86/28/556048628.db2.gz WMZJWYIWJSJYHU-KDOFPFPSSA-N 1 1 360.458 2.260 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(c3ncnc4sc([N+](=O)[O-])cc43)CC2)CCO1 ZINC000367496072 556066609 /nfs/dbraw/zinc/06/66/09/556066609.db2.gz BPXIXUZKDCAANR-LLVKDONJSA-N 1 1 363.443 2.289 20 5 FEBDMO COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c([N+](=O)[O-])cc1F ZINC000368395865 556296314 /nfs/dbraw/zinc/29/63/14/556296314.db2.gz WUCWUEZSBWRIGE-SMDDNHRTSA-N 1 1 351.378 2.233 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)[nH]n1 ZINC000368664829 556378841 /nfs/dbraw/zinc/37/88/41/556378841.db2.gz YUEZPSIPGNXHGQ-ZBFHGGJFSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664829 556378843 /nfs/dbraw/zinc/37/88/43/556378843.db2.gz YUEZPSIPGNXHGQ-ZBFHGGJFSA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)n[nH]1 ZINC000368664829 556378846 /nfs/dbraw/zinc/37/88/46/556378846.db2.gz YUEZPSIPGNXHGQ-ZBFHGGJFSA-N 1 1 360.414 2.246 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000368671758 556381644 /nfs/dbraw/zinc/38/16/44/556381644.db2.gz JOCGKIKQQCBNGV-MSOLQXFVSA-N 1 1 374.441 2.033 20 5 FEBDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000368671758 556381645 /nfs/dbraw/zinc/38/16/45/556381645.db2.gz JOCGKIKQQCBNGV-MSOLQXFVSA-N 1 1 374.441 2.033 20 5 FEBDMO Cc1cc(C[NH+]2CCC(N(C)C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)on1 ZINC000368960989 556460018 /nfs/dbraw/zinc/46/00/18/556460018.db2.gz CISUHMSZUZGGHY-UHFFFAOYSA-N 1 1 373.413 2.210 20 5 FEBDMO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[N@H+]([C@H](C)CO)CC1 ZINC000368964549 556461200 /nfs/dbraw/zinc/46/12/00/556461200.db2.gz GLXMHBGNIQKJER-WBVHZDCISA-N 1 1 363.458 2.079 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000369075718 556498294 /nfs/dbraw/zinc/49/82/94/556498294.db2.gz IQUNSPGSNPIJBM-UHFFFAOYSA-N 1 1 372.381 2.348 20 5 FEBDMO Cn1c2ccc(NC[C@H](O)Cn3cc([N+](=O)[O-])cn3)cc2[nH+]c1C(C)(C)C ZINC000515833810 562023239 /nfs/dbraw/zinc/02/32/39/562023239.db2.gz VIAAJXJWHLOLHJ-AWEZNQCLSA-N 1 1 372.429 2.449 20 5 FEBDMO Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000369164020 556523055 /nfs/dbraw/zinc/52/30/55/556523055.db2.gz NPTBJJWJJNSNRI-HNNXBMFYSA-N 1 1 369.425 2.214 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000369380765 556585368 /nfs/dbraw/zinc/58/53/68/556585368.db2.gz XTZYADQTYBEDNA-YVEFUNNKSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@](C)(O)CC2)c([N+](=O)[O-])c1 ZINC000369380765 556585370 /nfs/dbraw/zinc/58/53/70/556585370.db2.gz XTZYADQTYBEDNA-YVEFUNNKSA-N 1 1 351.403 2.167 20 5 FEBDMO C[N@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(N)=O)[C@@H]1c1cccs1 ZINC000369560300 556631471 /nfs/dbraw/zinc/63/14/71/556631471.db2.gz GBIQADBWCOEUKB-IINYFYTJSA-N 1 1 361.427 2.255 20 5 FEBDMO Cc1c[nH+]cn1C1CCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000369783692 556693995 /nfs/dbraw/zinc/69/39/95/556693995.db2.gz KHXPNEAJJMTHNJ-UHFFFAOYSA-N 1 1 372.381 2.155 20 5 FEBDMO CCc1ccc(S(=O)(=O)NCCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000516460236 562043556 /nfs/dbraw/zinc/04/35/56/562043556.db2.gz IAUQMMJUUDTXLR-UHFFFAOYSA-N 1 1 352.416 2.031 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000370047406 556766783 /nfs/dbraw/zinc/76/67/83/556766783.db2.gz XJKPXXZIRKEIGO-SECBINFHSA-N 1 1 358.324 2.450 20 5 FEBDMO Cn1cnc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000370047406 556766789 /nfs/dbraw/zinc/76/67/89/556766789.db2.gz XJKPXXZIRKEIGO-SECBINFHSA-N 1 1 358.324 2.450 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000370107140 556782164 /nfs/dbraw/zinc/78/21/64/556782164.db2.gz GQBXCOSEGMSOBV-AWEZNQCLSA-N 1 1 353.444 2.070 20 5 FEBDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCN(c2cccnn2)CC1 ZINC000370432899 556871476 /nfs/dbraw/zinc/87/14/76/556871476.db2.gz HVWBJWXFXWLISI-UHFFFAOYSA-N 1 1 357.414 2.364 20 5 FEBDMO O=C1CO[C@@H]2CC[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]2N1 ZINC000370712545 556946686 /nfs/dbraw/zinc/94/66/86/556946686.db2.gz WHFMSXOHRCAARG-HZPDHXFCSA-N 1 1 373.434 2.413 20 5 FEBDMO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370750361 556957122 /nfs/dbraw/zinc/95/71/22/556957122.db2.gz PXYGWCOJCYNOIX-CJNGLKHVSA-N 1 1 373.413 2.112 20 5 FEBDMO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370838729 556985890 /nfs/dbraw/zinc/98/58/90/556985890.db2.gz GRYLBCWYWPQEML-OVKVCFKUSA-N 1 1 372.469 2.235 20 5 FEBDMO CN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370838729 556985892 /nfs/dbraw/zinc/98/58/92/556985892.db2.gz GRYLBCWYWPQEML-OVKVCFKUSA-N 1 1 372.469 2.235 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227274 557112473 /nfs/dbraw/zinc/11/24/73/557112473.db2.gz CIQQXWVPVXUXBJ-NHYWBVRUSA-N 1 1 363.805 2.394 20 5 FEBDMO C[N@@H+]1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227274 557112474 /nfs/dbraw/zinc/11/24/74/557112474.db2.gz CIQQXWVPVXUXBJ-NHYWBVRUSA-N 1 1 363.805 2.394 20 5 FEBDMO C[N@H+]1CC[C@@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000371227274 557112475 /nfs/dbraw/zinc/11/24/75/557112475.db2.gz CIQQXWVPVXUXBJ-NHYWBVRUSA-N 1 1 363.805 2.394 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000371506306 557203247 /nfs/dbraw/zinc/20/32/47/557203247.db2.gz QHVKGBMMCGUNMZ-FZMZJTMJSA-N 1 1 373.862 2.271 20 5 FEBDMO Cn1cc([C@H]2[C@H](CNC(=O)Cc3cccc([N+](=O)[O-])c3)CCC[N@H+]2C)cn1 ZINC000371754620 557283808 /nfs/dbraw/zinc/28/38/08/557283808.db2.gz GZZIXQRJQISJOK-HNAYVOBHSA-N 1 1 371.441 2.070 20 5 FEBDMO C[C@H](C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000371784762 557292608 /nfs/dbraw/zinc/29/26/08/557292608.db2.gz VBELZKPCNYBEQG-NWANDNLSSA-N 1 1 365.405 2.207 20 5 FEBDMO C[C@H](C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1F ZINC000371784762 557292611 /nfs/dbraw/zinc/29/26/11/557292611.db2.gz VBELZKPCNYBEQG-NWANDNLSSA-N 1 1 365.405 2.207 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371821682 557302983 /nfs/dbraw/zinc/30/29/83/557302983.db2.gz BYQPISPVUSMVKA-LCJXNMAOSA-N 1 1 372.469 2.283 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371821682 557302987 /nfs/dbraw/zinc/30/29/87/557302987.db2.gz BYQPISPVUSMVKA-LCJXNMAOSA-N 1 1 372.469 2.283 20 5 FEBDMO C[C@H]1C[N@H+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])cn3C)c2)CCO1 ZINC000518676352 562116384 /nfs/dbraw/zinc/11/63/84/562116384.db2.gz ZNEJMJOKQBHGJT-AWEZNQCLSA-N 1 1 372.425 2.084 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)c3cc([N+](=O)[O-])cn3C)c2)CCO1 ZINC000518676352 562116385 /nfs/dbraw/zinc/11/63/85/562116385.db2.gz ZNEJMJOKQBHGJT-AWEZNQCLSA-N 1 1 372.425 2.084 20 5 FEBDMO O=C(CC[N@H+]1CCC[C@H](c2nnc[nH]2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372602076 557517518 /nfs/dbraw/zinc/51/75/18/557517518.db2.gz VMJSPHLSQNCRNR-NSHDSACASA-N 1 1 362.365 2.060 20 5 FEBDMO CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000373112984 557631226 /nfs/dbraw/zinc/63/12/26/557631226.db2.gz PDPXOLLLLUIVHT-YOEHRIQHSA-N 1 1 373.413 2.189 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374280652 557857090 /nfs/dbraw/zinc/85/70/90/557857090.db2.gz RDOGNAMSUJQPRL-IBGZPJMESA-N 1 1 371.441 2.128 20 5 FEBDMO Cc1[nH+]c(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2n1CCCC2 ZINC000374299143 557860868 /nfs/dbraw/zinc/86/08/68/557860868.db2.gz XOXBMASZWHIYFI-UHFFFAOYSA-N 1 1 359.342 2.274 20 5 FEBDMO C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000374767222 557928095 /nfs/dbraw/zinc/92/80/95/557928095.db2.gz NQCFJORONNKHND-XJKSGUPXSA-N 1 1 358.373 2.144 20 5 FEBDMO O=[N+]([O-])c1cc(CN2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000374862617 557942687 /nfs/dbraw/zinc/94/26/87/557942687.db2.gz LURQNQLITFJNDY-ZDUSSCGKSA-N 1 1 370.247 2.264 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000375032741 557967442 /nfs/dbraw/zinc/96/74/42/557967442.db2.gz SVHYDYILPMEYNI-IAQYHMDHSA-N 1 1 352.822 2.213 20 5 FEBDMO Cc1c(NC(=O)CC[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000375737433 558075049 /nfs/dbraw/zinc/07/50/49/558075049.db2.gz CACSWJPGUDEHAA-IAGOWNOFSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000375737433 558075051 /nfs/dbraw/zinc/07/50/51/558075051.db2.gz CACSWJPGUDEHAA-IAGOWNOFSA-N 1 1 363.414 2.112 20 5 FEBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000376201830 558140210 /nfs/dbraw/zinc/14/02/10/558140210.db2.gz XUMVWIPVHXQTRS-YPMHNXCESA-N 1 1 357.357 2.496 20 5 FEBDMO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000376817490 558225563 /nfs/dbraw/zinc/22/55/63/558225563.db2.gz CIBQJZVWFHBEFY-AWEZNQCLSA-N 1 1 353.854 2.248 20 5 FEBDMO CN(c1ncc(Cl)cc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376817490 558225564 /nfs/dbraw/zinc/22/55/64/558225564.db2.gz CIBQJZVWFHBEFY-AWEZNQCLSA-N 1 1 353.854 2.248 20 5 FEBDMO C[C@H](c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1)[NH+]1CCOCC1 ZINC000522067580 562190766 /nfs/dbraw/zinc/19/07/66/562190766.db2.gz GCNDRBIQTQSARK-GFCCVEGCSA-N 1 1 372.381 2.341 20 5 FEBDMO COc1cc(CCNC(=O)[C@H]2CCCc3[nH+]ccn32)c([N+](=O)[O-])cc1OC ZINC000377622465 558379094 /nfs/dbraw/zinc/37/90/94/558379094.db2.gz CWAMLMGQGIGHBL-CYBMUJFWSA-N 1 1 374.397 2.045 20 5 FEBDMO Cc1nn(CCC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000523286016 562210391 /nfs/dbraw/zinc/21/03/91/562210391.db2.gz WHKFQBDHUHKONW-OAHLLOKOSA-N 1 1 351.451 2.035 20 5 FEBDMO CNC(=O)CN1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000378346763 558534751 /nfs/dbraw/zinc/53/47/51/558534751.db2.gz BATUWIQEGMAABW-UHFFFAOYSA-N 1 1 372.425 2.109 20 5 FEBDMO Cc1cccc(NC2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)[nH+]1 ZINC000378361844 558538747 /nfs/dbraw/zinc/53/87/47/558538747.db2.gz PEYBBGCCSSTPAJ-UHFFFAOYSA-N 1 1 353.386 2.422 20 5 FEBDMO Cc1cccc(OC2CC[NH+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)n1 ZINC000378438747 558557499 /nfs/dbraw/zinc/55/74/99/558557499.db2.gz KXYMWORKJZRGSR-UHFFFAOYSA-N 1 1 370.409 2.441 20 5 FEBDMO Cc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408299397 558665057 /nfs/dbraw/zinc/66/50/57/558665057.db2.gz TUPZFTRDBVTRSQ-LLVKDONJSA-N 1 1 356.220 2.187 20 5 FEBDMO Cc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c(Br)cc1[N+](=O)[O-] ZINC000408299397 558665059 /nfs/dbraw/zinc/66/50/59/558665059.db2.gz TUPZFTRDBVTRSQ-LLVKDONJSA-N 1 1 356.220 2.187 20 5 FEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000409457528 558693438 /nfs/dbraw/zinc/69/34/38/558693438.db2.gz TZGUGXDBBPPDRW-GOEBONIOSA-N 1 1 357.414 2.133 20 5 FEBDMO COc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000524720339 562233109 /nfs/dbraw/zinc/23/31/09/562233109.db2.gz LIDSKZHNRLNUON-JTQLQIEISA-N 1 1 373.356 2.276 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCOC(C)(C)[C@@H]1C ZINC000411341579 558880095 /nfs/dbraw/zinc/88/00/95/558880095.db2.gz CTSGMZMPQFYFAD-LBPRGKRZSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1F ZINC000411419116 558891606 /nfs/dbraw/zinc/89/16/06/558891606.db2.gz SDFSNNAWYQEOMV-GFCCVEGCSA-N 1 1 353.394 2.133 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000411539656 558913270 /nfs/dbraw/zinc/91/32/70/558913270.db2.gz YKHZCWFAYSDKJS-AWEZNQCLSA-N 1 1 362.430 2.141 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000411589111 558924245 /nfs/dbraw/zinc/92/42/45/558924245.db2.gz HJJNRPLUZBDKQZ-CQSZACIVSA-N 1 1 362.430 2.091 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000411601526 558927214 /nfs/dbraw/zinc/92/72/14/558927214.db2.gz ANWBWWQSPNGFCT-XQQFMLRXSA-N 1 1 351.403 2.430 20 5 FEBDMO COCC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000411608519 558928435 /nfs/dbraw/zinc/92/84/35/558928435.db2.gz GFAMKHBRNKSDMN-UHFFFAOYSA-N 1 1 358.398 2.467 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)Cc2c(F)c(OC)ccc2[N+](=O)[O-])C1 ZINC000411734110 558952429 /nfs/dbraw/zinc/95/24/29/558952429.db2.gz HTEJHMLKLKLPQI-GFCCVEGCSA-N 1 1 353.394 2.133 20 5 FEBDMO CN(C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000411951765 558994027 /nfs/dbraw/zinc/99/40/27/558994027.db2.gz SCTBBFBADQOJFY-ZWKOTPCHSA-N 1 1 355.394 2.366 20 5 FEBDMO CN(C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000411951765 558994030 /nfs/dbraw/zinc/99/40/30/558994030.db2.gz SCTBBFBADQOJFY-ZWKOTPCHSA-N 1 1 355.394 2.366 20 5 FEBDMO O=C(C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000411957287 558995151 /nfs/dbraw/zinc/99/51/51/558995151.db2.gz WQCOCBZNBZNEOX-QZTJIDSGSA-N 1 1 367.405 2.292 20 5 FEBDMO O=C(C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000411957287 558995153 /nfs/dbraw/zinc/99/51/53/558995153.db2.gz WQCOCBZNBZNEOX-QZTJIDSGSA-N 1 1 367.405 2.292 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCC[N@@H+](C)C2CCCC2)c1F ZINC000412031259 559003991 /nfs/dbraw/zinc/00/39/91/559003991.db2.gz GQXGKSVEDTYSCY-UHFFFAOYSA-N 1 1 353.394 2.276 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412051895 559006760 /nfs/dbraw/zinc/00/67/60/559006760.db2.gz XEYSIKCBLQTNNR-GUTXKFCHSA-N 1 1 363.414 2.025 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412056514 559007737 /nfs/dbraw/zinc/00/77/37/559007737.db2.gz ORUFKKCLJJFRJS-OAHLLOKOSA-N 1 1 374.441 2.319 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412056514 559007739 /nfs/dbraw/zinc/00/77/39/559007739.db2.gz ORUFKKCLJJFRJS-OAHLLOKOSA-N 1 1 374.441 2.319 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1F ZINC000412186460 559019059 /nfs/dbraw/zinc/01/90/59/559019059.db2.gz SCFFZJLZGGYJEP-DGCLKSJQSA-N 1 1 353.394 2.130 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)NCCCC[N@@H+](C)C2CC2)c1F ZINC000412429193 559035023 /nfs/dbraw/zinc/03/50/23/559035023.db2.gz ROWDMJSJMPCMRT-UHFFFAOYSA-N 1 1 353.394 2.276 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000414476346 559167599 /nfs/dbraw/zinc/16/75/99/559167599.db2.gz ZZLWRRIPFNMIAJ-NSHDSACASA-N 1 1 366.443 2.331 20 5 FEBDMO Cc1cc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(C)cc1[N+](=O)[O-] ZINC000416554252 559321344 /nfs/dbraw/zinc/32/13/44/559321344.db2.gz JMDIDVQCIWOIFQ-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000417044794 559345524 /nfs/dbraw/zinc/34/55/24/559345524.db2.gz QOHMLZYBGVTKKX-ZIAGYGMSSA-N 1 1 350.419 2.130 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000417044794 559345525 /nfs/dbraw/zinc/34/55/25/559345525.db2.gz QOHMLZYBGVTKKX-ZIAGYGMSSA-N 1 1 350.419 2.130 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(CN3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420329556 559481006 /nfs/dbraw/zinc/48/10/06/559481006.db2.gz OQZLDVIWNRLGBK-LSDHHAIUSA-N 1 1 357.414 2.466 20 5 FEBDMO CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000420467428 559489021 /nfs/dbraw/zinc/48/90/21/559489021.db2.gz SIMVMMZIHQAOEN-AWEZNQCLSA-N 1 1 367.402 2.275 20 5 FEBDMO CCN1CCC([N@H+]2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)CC1 ZINC000420624982 559494204 /nfs/dbraw/zinc/49/42/04/559494204.db2.gz JXODJRYGFHJEMF-UHFFFAOYSA-N 1 1 372.473 2.468 20 5 FEBDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000420925185 559511783 /nfs/dbraw/zinc/51/17/83/559511783.db2.gz LDESIADTFBJDSY-KGLIPLIRSA-N 1 1 365.430 2.199 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421775551 559553078 /nfs/dbraw/zinc/55/30/78/559553078.db2.gz XQQMYLHSKFGIKT-CQSZACIVSA-N 1 1 362.474 2.215 20 5 FEBDMO Cc1ccc(NCCCNC(=O)N(C)C[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000422239114 559572989 /nfs/dbraw/zinc/57/29/89/559572989.db2.gz SLFFSXDXECOTCP-OAHLLOKOSA-N 1 1 363.462 2.441 20 5 FEBDMO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)cc1[N+](=O)[O-] ZINC000423623173 559634222 /nfs/dbraw/zinc/63/42/22/559634222.db2.gz BKKOXHGFAGHULF-INIZCTEOSA-N 1 1 357.414 2.238 20 5 FEBDMO COCC(C)(C)[NH+]1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CC1 ZINC000424987237 559682146 /nfs/dbraw/zinc/68/21/46/559682146.db2.gz YZKZFWIRBJYTQA-UHFFFAOYSA-N 1 1 367.471 2.256 20 5 FEBDMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000428867196 559785144 /nfs/dbraw/zinc/78/51/44/559785144.db2.gz LUMGHDLHVHFLTG-UGSOOPFHSA-N 1 1 370.409 2.089 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433064630 559871035 /nfs/dbraw/zinc/87/10/35/559871035.db2.gz YQCUXGJWLBFCLN-QGZVFWFLSA-N 1 1 357.410 2.377 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433064630 559871036 /nfs/dbraw/zinc/87/10/36/559871036.db2.gz YQCUXGJWLBFCLN-QGZVFWFLSA-N 1 1 357.410 2.377 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000435432752 559922890 /nfs/dbraw/zinc/92/28/90/559922890.db2.gz KJFNCFBIYPRKOT-AWEZNQCLSA-N 1 1 355.460 2.308 20 5 FEBDMO Cc1cc(OCC(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000435801730 559930345 /nfs/dbraw/zinc/93/03/45/559930345.db2.gz UYQNHMOIYDQBOP-ROUUACIJSA-N 1 1 369.421 2.496 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448725661 560196641 /nfs/dbraw/zinc/19/66/41/560196641.db2.gz PORBUDDADREOKL-DZGCQCFKSA-N 1 1 355.398 2.342 20 5 FEBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000448725664 560196646 /nfs/dbraw/zinc/19/66/46/560196646.db2.gz PORBUDDADREOKL-ZFWWWQNUSA-N 1 1 355.398 2.342 20 5 FEBDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000449761049 560239190 /nfs/dbraw/zinc/23/91/90/560239190.db2.gz UFURWEVWRLIALX-AWEZNQCLSA-N 1 1 352.387 2.148 20 5 FEBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000450152968 560252311 /nfs/dbraw/zinc/25/23/11/560252311.db2.gz RQZRSXDDZZLIAF-GTNSWQLSSA-N 1 1 355.398 2.197 20 5 FEBDMO COC(=O)Cc1ccc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000450245030 560255381 /nfs/dbraw/zinc/25/53/81/560255381.db2.gz QPQDDDUVMBXVQK-OKILXGFUSA-N 1 1 365.430 2.222 20 5 FEBDMO COCC[N@@H+](C)CCCC1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450417400 560261729 /nfs/dbraw/zinc/26/17/29/560261729.db2.gz JIFBFBUKIIJKFM-UHFFFAOYSA-N 1 1 351.451 2.268 20 5 FEBDMO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H]1CCc2[nH+]ccn2C1 ZINC000450491371 560263913 /nfs/dbraw/zinc/26/39/13/560263913.db2.gz OMNIZFNSEQDORT-GFCCVEGCSA-N 1 1 353.382 2.445 20 5 FEBDMO CCCN(CC[NH+]1CCN(CC)CC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450531330 560265301 /nfs/dbraw/zinc/26/53/01/560265301.db2.gz HUKNYOGXHVDUHL-UHFFFAOYSA-N 1 1 360.462 2.325 20 5 FEBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451339743 560301270 /nfs/dbraw/zinc/30/12/70/560301270.db2.gz JSNXOHOXROWSQA-NXWXRZEISA-N 1 1 364.442 2.350 20 5 FEBDMO O=C1[C@H]([N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CCN1c1cccc([N+](=O)[O-])c1 ZINC000451419598 560305860 /nfs/dbraw/zinc/30/58/60/560305860.db2.gz LSICWUSEHOBQGH-BRSBDYLESA-N 1 1 359.426 2.326 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563102 560314971 /nfs/dbraw/zinc/31/49/71/560314971.db2.gz JORYWBQPOJIWHQ-WQGACYEGSA-N 1 1 351.403 2.287 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](OC)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000451563102 560314972 /nfs/dbraw/zinc/31/49/72/560314972.db2.gz JORYWBQPOJIWHQ-WQGACYEGSA-N 1 1 351.403 2.287 20 5 FEBDMO C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@H](C)O1 ZINC000451563696 560315124 /nfs/dbraw/zinc/31/51/24/560315124.db2.gz KBFMWLQOGYNFFQ-UXLLHSPISA-N 1 1 361.442 2.410 20 5 FEBDMO C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C[C@H](C)O1 ZINC000451563696 560315125 /nfs/dbraw/zinc/31/51/25/560315125.db2.gz KBFMWLQOGYNFFQ-UXLLHSPISA-N 1 1 361.442 2.410 20 5 FEBDMO CO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451845652 560332045 /nfs/dbraw/zinc/33/20/45/560332045.db2.gz ITQOLMIEAJCNRA-IAOVAPTHSA-N 1 1 350.415 2.224 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452386280 560362474 /nfs/dbraw/zinc/36/24/74/560362474.db2.gz WQCKOJGTWWMTSS-SJORKVTESA-N 1 1 363.458 2.127 20 5 FEBDMO CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000453987989 560419827 /nfs/dbraw/zinc/41/98/27/560419827.db2.gz ZLDRHJUNYCMXEV-AWEZNQCLSA-N 1 1 362.430 2.093 20 5 FEBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000453987989 560419828 /nfs/dbraw/zinc/41/98/28/560419828.db2.gz ZLDRHJUNYCMXEV-AWEZNQCLSA-N 1 1 362.430 2.093 20 5 FEBDMO CNc1nc(C(=O)N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)ccc1[N+](=O)[O-] ZINC000456005143 560504230 /nfs/dbraw/zinc/50/42/30/560504230.db2.gz ARWSDQWKEXUPQD-GFCCVEGCSA-N 1 1 370.413 2.194 20 5 FEBDMO CNc1nc(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000456014082 560504512 /nfs/dbraw/zinc/50/45/12/560504512.db2.gz VWIWIXVGDKODJK-STQMWFEESA-N 1 1 361.446 2.414 20 5 FEBDMO C[N@@H+](CCCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000458703616 560641945 /nfs/dbraw/zinc/64/19/45/560641945.db2.gz IBOGKKHEUARWSX-UHFFFAOYSA-N 1 1 360.418 2.145 20 5 FEBDMO Cc1cc(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c(F)cc1[N+](=O)[O-] ZINC000461788635 560783526 /nfs/dbraw/zinc/78/35/26/560783526.db2.gz YASCDDBRKLJKSB-HNNXBMFYSA-N 1 1 352.410 2.397 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[N@H+]1Cc1ccccc1 ZINC000467692584 560915083 /nfs/dbraw/zinc/91/50/83/560915083.db2.gz UFVKASSTOJLVEU-JSGCOSHPSA-N 1 1 356.382 2.088 20 5 FEBDMO C[NH+](C)Cc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1Br ZINC000469491462 560956235 /nfs/dbraw/zinc/95/62/35/560956235.db2.gz GWSBJWCAATZNEO-UHFFFAOYSA-N 1 1 368.191 2.394 20 5 FEBDMO NC(=O)c1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)c([N+](=O)[O-])c1 ZINC000471152065 560999311 /nfs/dbraw/zinc/99/93/11/560999311.db2.gz OWRRMOFEGPZNLF-UHFFFAOYSA-N 1 1 356.382 2.132 20 5 FEBDMO CC(C)(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc([N+](=O)[O-])cn1 ZINC000471296254 561002097 /nfs/dbraw/zinc/00/20/97/561002097.db2.gz FYNPFEQOCVOPPD-INIZCTEOSA-N 1 1 371.441 2.165 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000471388362 561003740 /nfs/dbraw/zinc/00/37/40/561003740.db2.gz OFKJMCLPDBJOER-IYBDPMFKSA-N 1 1 369.425 2.015 20 5 FEBDMO C[C@H](CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1CCCC[C@@H]1C ZINC000472559880 561029239 /nfs/dbraw/zinc/02/92/39/561029239.db2.gz HWEPMXTWSQBIKP-NWDGAFQWSA-N 1 1 366.393 2.052 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@@H](CO)c2ccsc2)cc1[N+](=O)[O-] ZINC000473995653 561063123 /nfs/dbraw/zinc/06/31/23/561063123.db2.gz SWTYLSFRQWBMEU-ZDUSSCGKSA-N 1 1 366.395 2.031 20 5 FEBDMO COC(=O)COc1ccc(CN[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000474375403 561072535 /nfs/dbraw/zinc/07/25/35/561072535.db2.gz UEBDTZBPMPWSHD-AWEZNQCLSA-N 1 1 365.430 2.111 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000474553937 561076604 /nfs/dbraw/zinc/07/66/04/561076604.db2.gz APUJQMGLMBOMCO-UHFFFAOYSA-N 1 1 370.247 2.452 20 5 FEBDMO C[NH+]1CCN(CCC(C)(C)NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000474818522 561083521 /nfs/dbraw/zinc/08/35/21/561083521.db2.gz UBPDAJLGHDVHIS-UHFFFAOYSA-N 1 1 374.441 2.487 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000476657818 561125426 /nfs/dbraw/zinc/12/54/26/561125426.db2.gz MHQMJEBSPNXNCD-ZFWWWQNUSA-N 1 1 357.414 2.111 20 5 FEBDMO COc1cc(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000531291431 562440937 /nfs/dbraw/zinc/44/09/37/562440937.db2.gz XRPWUTUXBLSYPR-BETUJISGSA-N 1 1 365.430 2.144 20 5 FEBDMO CNc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000532191667 562470302 /nfs/dbraw/zinc/47/03/02/562470302.db2.gz UDRSTZGRNITTJL-CVEARBPZSA-N 1 1 362.430 2.010 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000532987631 562494865 /nfs/dbraw/zinc/49/48/65/562494865.db2.gz IQDFJGJBLPFGDW-AWEZNQCLSA-N 1 1 357.414 2.140 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000532987631 562494866 /nfs/dbraw/zinc/49/48/66/562494866.db2.gz IQDFJGJBLPFGDW-AWEZNQCLSA-N 1 1 357.414 2.140 20 5 FEBDMO COC(=O)CCC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000533344920 562506040 /nfs/dbraw/zinc/50/60/40/562506040.db2.gz KBRSGMAHNRCUQK-UHFFFAOYSA-N 1 1 363.414 2.223 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000535229993 562553530 /nfs/dbraw/zinc/55/35/30/562553530.db2.gz IIJRPRZYXYFSQS-SJPCQFCGSA-N 1 1 372.469 2.286 20 5 FEBDMO CN(C)C(=O)N1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000540826862 562593915 /nfs/dbraw/zinc/59/39/15/562593915.db2.gz FRIQICOZMLLALY-UHFFFAOYSA-N 1 1 350.419 2.051 20 5 FEBDMO CN(C)C(=O)N1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000540826862 562593916 /nfs/dbraw/zinc/59/39/16/562593916.db2.gz FRIQICOZMLLALY-UHFFFAOYSA-N 1 1 350.419 2.051 20 5 FEBDMO COc1ccc(NC(=O)c2cc3c(nc[nH+]c3N(C)C)n2C)cc1[N+](=O)[O-] ZINC000541141805 562604296 /nfs/dbraw/zinc/60/42/96/562604296.db2.gz LFCBAYFPUUHGGJ-UHFFFAOYSA-N 1 1 370.369 2.203 20 5 FEBDMO Cc1ccccc1[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000541328282 562609438 /nfs/dbraw/zinc/60/94/38/562609438.db2.gz FCNRARYBUPOPLW-QGZVFWFLSA-N 1 1 364.423 2.000 20 5 FEBDMO CCCC[N@@H+](C)CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821062596 599553215 /nfs/dbraw/zinc/55/32/15/599553215.db2.gz YXUHCLONNYREKT-UHFFFAOYSA-N 1 1 370.417 2.467 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000809970738 674522656 /nfs/dbraw/zinc/52/26/56/674522656.db2.gz KGZVRSJYRIDSRT-QGZVFWFLSA-N 1 1 352.410 2.335 20 5 FEBDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000821240100 606730472 /nfs/dbraw/zinc/73/04/72/606730472.db2.gz DXRVEBSVUJVGMY-MEBBXXQBSA-N 1 1 368.401 2.075 20 5 FEBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](CCOc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826500366 607943394 /nfs/dbraw/zinc/94/33/94/607943394.db2.gz VVAXDNNKYVCHTC-UHFFFAOYSA-N 1 1 366.381 2.212 20 5 FEBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCOc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826500366 607943395 /nfs/dbraw/zinc/94/33/95/607943395.db2.gz VVAXDNNKYVCHTC-UHFFFAOYSA-N 1 1 366.381 2.212 20 5 FEBDMO CC[N@H+]1CCC[C@@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000825452085 608371042 /nfs/dbraw/zinc/37/10/42/608371042.db2.gz NAJPWPRWIFVIIV-LLVKDONJSA-N 1 1 368.401 2.219 20 5 FEBDMO C[C@@H]([NH2+]CC(=O)Nc1sccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000824563471 608468467 /nfs/dbraw/zinc/46/84/67/608468467.db2.gz PCVKAUWHZVGGTA-SECBINFHSA-N 1 1 373.398 2.126 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000563754174 674935816 /nfs/dbraw/zinc/93/58/16/674935816.db2.gz KUPMZKUFNAKIHV-XJKSGUPXSA-N 1 1 355.460 2.229 20 5 FEBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(F)(F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525183 675008873 /nfs/dbraw/zinc/00/88/73/675008873.db2.gz OJKJZXVQWPKENW-COWZWYNKSA-N 1 1 357.401 2.056 20 5 FEBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525183 675008875 /nfs/dbraw/zinc/00/88/75/675008875.db2.gz OJKJZXVQWPKENW-COWZWYNKSA-N 1 1 357.401 2.056 20 5 FEBDMO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(F)(F)C1)[C@@H]1CC1[N+](=O)[O-] ZINC001048525183 675008877 /nfs/dbraw/zinc/00/88/77/675008877.db2.gz OJKJZXVQWPKENW-COWZWYNKSA-N 1 1 357.401 2.056 20 5 FEBDMO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CN1CCCCC1 ZINC000564845613 675067287 /nfs/dbraw/zinc/06/72/87/675067287.db2.gz UYMNZRJCGVSVNR-OAHLLOKOSA-N 1 1 369.487 2.080 20 5 FEBDMO CC(C)(CCC(=O)OCc1ccc(C[NH+]2CCOCC2)cc1)[N+](=O)[O-] ZINC000817189213 675110194 /nfs/dbraw/zinc/11/01/94/675110194.db2.gz SRAIHIAMGPUCJX-UHFFFAOYSA-N 1 1 350.415 2.398 20 5 FEBDMO Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665019 670496954 /nfs/dbraw/zinc/49/69/54/670496954.db2.gz DSPQTWVFTVCONB-LLVKDONJSA-N 1 1 350.810 2.372 20 5 FEBDMO Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072665019 670496956 /nfs/dbraw/zinc/49/69/56/670496956.db2.gz DSPQTWVFTVCONB-LLVKDONJSA-N 1 1 350.810 2.372 20 5 FEBDMO O=C(CC[N@@H+]1CC[C@@H](O)CC12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000817290119 675117721 /nfs/dbraw/zinc/11/77/21/675117721.db2.gz HJYXTUGHQXBYEC-CYBMUJFWSA-N 1 1 351.378 2.442 20 5 FEBDMO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000565416964 675119865 /nfs/dbraw/zinc/11/98/65/675119865.db2.gz KXKHDQWNSFVHEC-SJCJKPOMSA-N 1 1 362.407 2.480 20 5 FEBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000083990452 670663603 /nfs/dbraw/zinc/66/36/03/670663603.db2.gz RMIPCNXHOFJYMI-JTQLQIEISA-N 1 1 361.851 2.318 20 5 FEBDMO C[C@H](CNC[C@@H](O)COc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000565594313 675135017 /nfs/dbraw/zinc/13/50/17/675135017.db2.gz UFRYLSHVHGMFSE-HZPDHXFCSA-N 1 1 351.447 2.046 20 5 FEBDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000101572034 670768960 /nfs/dbraw/zinc/76/89/60/670768960.db2.gz SXQKGPQANDSVQK-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000573780743 671163185 /nfs/dbraw/zinc/16/31/85/671163185.db2.gz QQKGKXULTNFKPE-LLVKDONJSA-N 1 1 353.444 2.492 20 5 FEBDMO CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(SC)c(OC)cc1[N+](=O)[O-] ZINC000573780743 671163187 /nfs/dbraw/zinc/16/31/87/671163187.db2.gz QQKGKXULTNFKPE-LLVKDONJSA-N 1 1 353.444 2.492 20 5 FEBDMO Cc1nn(CCC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000608812492 675904647 /nfs/dbraw/zinc/90/46/47/675904647.db2.gz QRQZGBUUFPCCMD-OLZOCXBDSA-N 1 1 351.451 2.035 20 5 FEBDMO Cc1nn(CCC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000608812494 675904653 /nfs/dbraw/zinc/90/46/53/675904653.db2.gz QRQZGBUUFPCCMD-QWHCGFSZSA-N 1 1 351.451 2.035 20 5 FEBDMO COCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)C1 ZINC000609269179 675916239 /nfs/dbraw/zinc/91/62/39/675916239.db2.gz MRAHZVQRRPHLGE-KBPBESRZSA-N 1 1 367.471 2.302 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000578258531 671652192 /nfs/dbraw/zinc/65/21/92/671652192.db2.gz SWYSMHOVZOJFAT-UHFFFAOYSA-N 1 1 363.384 2.328 20 5 FEBDMO CN(CCCN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-])CC[NH+](C)C ZINC000578258531 671652193 /nfs/dbraw/zinc/65/21/93/671652193.db2.gz SWYSMHOVZOJFAT-UHFFFAOYSA-N 1 1 363.384 2.328 20 5 FEBDMO CCS(=O)(=O)NC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000583110982 672064222 /nfs/dbraw/zinc/06/42/22/672064222.db2.gz CLDDGSOFUNUTPH-ALCCZGGFSA-N 1 1 353.444 2.012 20 5 FEBDMO CSc1ccc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1[N+](=O)[O-] ZINC000583115956 672064573 /nfs/dbraw/zinc/06/45/73/672064573.db2.gz INBRMUNQWVUKMS-UHFFFAOYSA-N 1 1 368.503 2.272 20 5 FEBDMO CSc1ccc(C(=O)N(C)CCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000583115956 672064574 /nfs/dbraw/zinc/06/45/74/672064574.db2.gz INBRMUNQWVUKMS-UHFFFAOYSA-N 1 1 368.503 2.272 20 5 FEBDMO CCC[N@@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584260687 672170663 /nfs/dbraw/zinc/17/06/63/672170663.db2.gz QGZQSGVYDBTKFJ-UHFFFAOYSA-N 1 1 364.183 2.404 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000611087828 676016253 /nfs/dbraw/zinc/01/62/53/676016253.db2.gz MWGXAQPIUOHMFX-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000611087828 676016255 /nfs/dbraw/zinc/01/62/55/676016255.db2.gz MWGXAQPIUOHMFX-GFCCVEGCSA-N 1 1 351.403 2.168 20 5 FEBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC000586767535 672432134 /nfs/dbraw/zinc/43/21/34/672432134.db2.gz OAYRTXWASAECMZ-ZDUSSCGKSA-N 1 1 354.401 2.085 20 5 FEBDMO Cc1c(Br)cc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000611072639 676015003 /nfs/dbraw/zinc/01/50/03/676015003.db2.gz PYHHRDUYMOFRJD-NSHDSACASA-N 1 1 356.220 2.490 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCNc1ncc([N+](=O)[O-])cc1Br ZINC000588858191 672485926 /nfs/dbraw/zinc/48/59/26/672485926.db2.gz QIFUEKHSSFBRLV-UHFFFAOYSA-N 1 1 360.256 2.048 20 5 FEBDMO CN(CCCNc1ncc([N+](=O)[O-])cc1Br)CC[NH+](C)C ZINC000588858191 672485930 /nfs/dbraw/zinc/48/59/30/672485930.db2.gz QIFUEKHSSFBRLV-UHFFFAOYSA-N 1 1 360.256 2.048 20 5 FEBDMO CC[N@@H+](C[C@@H]1CCOC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000611204936 676024528 /nfs/dbraw/zinc/02/45/28/676024528.db2.gz BUCLDBPVDICVHY-OLZOCXBDSA-N 1 1 351.403 2.289 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000590165381 672563074 /nfs/dbraw/zinc/56/30/74/672563074.db2.gz MWLMOHOMARCUPC-QGZVFWFLSA-N 1 1 367.471 2.318 20 5 FEBDMO C[C@H]1COCC[N@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000590387116 672576680 /nfs/dbraw/zinc/57/66/80/672576680.db2.gz FALDCJBGNNSEBY-LBPRGKRZSA-N 1 1 351.378 2.059 20 5 FEBDMO Cc1sc(C(=O)N2CCC([N@@H+]3CCOC[C@H]3C)CC2)cc1[N+](=O)[O-] ZINC000590388186 672576732 /nfs/dbraw/zinc/57/67/32/672576732.db2.gz KPNGSEQYVDUHIA-LLVKDONJSA-N 1 1 353.444 2.290 20 5 FEBDMO C[C@H](CSc1ccccc1)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593045598 672867358 /nfs/dbraw/zinc/86/73/58/672867358.db2.gz JIOXKCXNRXUUAT-UKRRQHHQSA-N 1 1 350.444 2.265 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000593591628 672953022 /nfs/dbraw/zinc/95/30/22/672953022.db2.gz YRAFAFZICUFXTG-AWEZNQCLSA-N 1 1 368.459 2.065 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000594473773 673080498 /nfs/dbraw/zinc/08/04/98/673080498.db2.gz FEGWBQWMOQKGML-UHFFFAOYSA-N 1 1 355.460 2.398 20 5 FEBDMO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000594483236 673087321 /nfs/dbraw/zinc/08/73/21/673087321.db2.gz DKKNWRFFNVFAHC-JKSUJKDBSA-N 1 1 353.444 2.031 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594484384 673088405 /nfs/dbraw/zinc/08/84/05/673088405.db2.gz QLFMGHWUWJVFQD-ZFWWWQNUSA-N 1 1 353.444 2.198 20 5 FEBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594536854 673096038 /nfs/dbraw/zinc/09/60/38/673096038.db2.gz JKLNRTGQDSNBMM-SDDRHHMPSA-N 1 1 354.382 2.353 20 5 FEBDMO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594536854 673096042 /nfs/dbraw/zinc/09/60/42/673096042.db2.gz JKLNRTGQDSNBMM-SDDRHHMPSA-N 1 1 354.382 2.353 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594759168 673132368 /nfs/dbraw/zinc/13/23/68/673132368.db2.gz IPMCAVKRSVHFIG-LBPRGKRZSA-N 1 1 366.443 2.152 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000594799818 673146990 /nfs/dbraw/zinc/14/69/90/673146990.db2.gz SBARVDQADIENBO-ZDUSSCGKSA-N 1 1 355.460 2.363 20 5 FEBDMO Cc1noc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000595299362 673218321 /nfs/dbraw/zinc/21/83/21/673218321.db2.gz YMAFWKYQULQJLU-UHFFFAOYSA-N 1 1 350.419 2.362 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595410439 673245786 /nfs/dbraw/zinc/24/57/86/673245786.db2.gz MELZHPCWRBZOAA-HNNXBMFYSA-N 1 1 367.471 2.304 20 5 FEBDMO O=C(C[N@@H+](CCOCCO)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595599052 673272021 /nfs/dbraw/zinc/27/20/21/673272021.db2.gz KDFQRMDCKFLHHT-UHFFFAOYSA-N 1 1 371.821 2.050 20 5 FEBDMO O=C(C[N@H+](CCOCCO)C1CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595599052 673272024 /nfs/dbraw/zinc/27/20/24/673272024.db2.gz KDFQRMDCKFLHHT-UHFFFAOYSA-N 1 1 371.821 2.050 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595829118 673328599 /nfs/dbraw/zinc/32/85/99/673328599.db2.gz WONYCSLXJBZMCC-HNNXBMFYSA-N 1 1 350.419 2.181 20 5 FEBDMO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000595829118 673328601 /nfs/dbraw/zinc/32/86/01/673328601.db2.gz WONYCSLXJBZMCC-HNNXBMFYSA-N 1 1 350.419 2.181 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000596537529 673392534 /nfs/dbraw/zinc/39/25/34/673392534.db2.gz HHCLKEKRVCSNEF-LBPRGKRZSA-N 1 1 370.247 2.393 20 5 FEBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091660 673446094 /nfs/dbraw/zinc/44/60/94/673446094.db2.gz BOYHRRNXPIVKIJ-LLVKDONJSA-N 1 1 371.825 2.063 20 5 FEBDMO O=C1CC[C@H]2C[N@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]2N1 ZINC000597204370 673456488 /nfs/dbraw/zinc/45/64/88/673456488.db2.gz ASVCQRGVODJTGU-GXFFZTMASA-N 1 1 355.341 2.297 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](Cc3cc([N+](=O)[O-])ccc3OC(F)F)CC[C@H]2N1 ZINC000597204370 673456490 /nfs/dbraw/zinc/45/64/90/673456490.db2.gz ASVCQRGVODJTGU-GXFFZTMASA-N 1 1 355.341 2.297 20 5 FEBDMO O=C(NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000597991142 673527493 /nfs/dbraw/zinc/52/74/93/673527493.db2.gz OAHKNGNXOHGBOA-AWEZNQCLSA-N 1 1 361.423 2.153 20 5 FEBDMO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000598451912 673571564 /nfs/dbraw/zinc/57/15/64/673571564.db2.gz FQBYZLCXTMCVKH-AWEZNQCLSA-N 1 1 367.833 2.228 20 5 FEBDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000599412868 673671924 /nfs/dbraw/zinc/67/19/24/673671924.db2.gz PSRIQMBBWMGVTM-LLVKDONJSA-N 1 1 361.851 2.258 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)c1C ZINC000599416910 673673055 /nfs/dbraw/zinc/67/30/55/673673055.db2.gz YOBMSLTUXNSLQK-CQSZACIVSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000544660462 673724160 /nfs/dbraw/zinc/72/41/60/673724160.db2.gz REPOZIHPRBMRMA-LBPRGKRZSA-N 1 1 355.460 2.222 20 5 FEBDMO O=C(c1ccc(OC(F)F)c([N+](=O)[O-])c1)N1CC[NH+](CCCF)CC1 ZINC000600076505 673738785 /nfs/dbraw/zinc/73/87/85/673738785.db2.gz MZEZMKGLGZAWOQ-UHFFFAOYSA-N 1 1 361.320 2.314 20 5 FEBDMO COc1ccc(OCC[N@@H+]2CCCC[C@@H]2C2OCCO2)c([N+](=O)[O-])c1 ZINC000743846736 673773713 /nfs/dbraw/zinc/77/37/13/673773713.db2.gz VRBDDGMUYBAIOP-CQSZACIVSA-N 1 1 352.387 2.210 20 5 FEBDMO COc1ccc(OCC[N@H+]2CCCC[C@@H]2C2OCCO2)c([N+](=O)[O-])c1 ZINC000743846736 673773716 /nfs/dbraw/zinc/77/37/16/673773716.db2.gz VRBDDGMUYBAIOP-CQSZACIVSA-N 1 1 352.387 2.210 20 5 FEBDMO C[C@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000546093759 673791576 /nfs/dbraw/zinc/79/15/76/673791576.db2.gz ZWYMKUJUPDOZTR-UONOGXRCSA-N 1 1 355.460 2.277 20 5 FEBDMO Cc1cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000601355912 673847244 /nfs/dbraw/zinc/84/72/44/673847244.db2.gz BAJAHIOBTPIOPN-YPMHNXCESA-N 1 1 359.423 2.003 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3Br)CC2)cn1 ZINC000547825951 673891877 /nfs/dbraw/zinc/89/18/77/673891877.db2.gz IENSPEIZUYMKCJ-UHFFFAOYSA-N 1 1 364.203 2.474 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2nccc(Br)c2C1 ZINC000602849652 673912307 /nfs/dbraw/zinc/91/23/07/673912307.db2.gz LKJPMRODTDTTAR-UHFFFAOYSA-N 1 1 366.219 2.316 20 5 FEBDMO CC1(C)[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000603400445 673929879 /nfs/dbraw/zinc/92/98/79/673929879.db2.gz XJGZGUYMWIIEFZ-QWRGUYRKSA-N 1 1 351.432 2.215 20 5 FEBDMO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)N1CC[NH+](C(C)C)CC1 ZINC000822429694 675483985 /nfs/dbraw/zinc/48/39/85/675483985.db2.gz ZNEBLQGZUIWTSV-UHFFFAOYSA-N 1 1 368.821 2.373 20 5 FEBDMO C[N@H+]1CC[C@H]2CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000827266957 675743949 /nfs/dbraw/zinc/74/39/49/675743949.db2.gz MBHOHCNJMGBWOM-HZMBPMFUSA-N 1 1 355.797 2.482 20 5 FEBDMO C[NH+]1CCN(C2CCN(C(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)CC1 ZINC000827473201 675758550 /nfs/dbraw/zinc/75/85/50/675758550.db2.gz FPVAXAGCBIZBSY-UHFFFAOYSA-N 1 1 366.849 2.100 20 5 FEBDMO COc1ccc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000603640510 675800309 /nfs/dbraw/zinc/80/03/09/675800309.db2.gz SJQWTFCGUUNRHB-CHWSQXEVSA-N 1 1 371.459 2.145 20 5 FEBDMO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000619476419 676379329 /nfs/dbraw/zinc/37/93/29/676379329.db2.gz OOFZDYCXWHGGDO-STQMWFEESA-N 1 1 371.459 2.145 20 5 FEBDMO C[C@@H]1C[N@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1 ZINC000829799942 677013412 /nfs/dbraw/zinc/01/34/12/677013412.db2.gz BUKBCVJDXXZSFE-BETUJISGSA-N 1 1 353.394 2.353 20 5 FEBDMO C[N@@H+](CCCO)C1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000760538874 680691851 /nfs/dbraw/zinc/69/18/51/680691851.db2.gz PJWCQGFZMGYCAT-UHFFFAOYSA-N 1 1 359.373 2.479 20 5 FEBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000762281421 680746713 /nfs/dbraw/zinc/74/67/13/680746713.db2.gz YSVCGFHQYIDSQN-LBPRGKRZSA-N 1 1 373.862 2.319 20 5 FEBDMO COCC(COC)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000839621332 680767240 /nfs/dbraw/zinc/76/72/40/680767240.db2.gz ISHCIAYNFMKMRU-UHFFFAOYSA-N 1 1 357.838 2.027 20 5 FEBDMO CC(C)[N@H+]1CCCC[C@@H]1CN1C(=O)c2ccc([N+](=O)[O-])cc2S1(=O)=O ZINC000840209779 680807525 /nfs/dbraw/zinc/80/75/25/680807525.db2.gz BXSUTKQQXPWCBX-CYBMUJFWSA-N 1 1 367.427 2.002 20 5 FEBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206609 680835277 /nfs/dbraw/zinc/83/52/77/680835277.db2.gz BYAXDBFBVAEXDS-SKDRFNHKSA-N 1 1 359.835 2.009 20 5 FEBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000765206609 680835278 /nfs/dbraw/zinc/83/52/78/680835278.db2.gz BYAXDBFBVAEXDS-SKDRFNHKSA-N 1 1 359.835 2.009 20 5 FEBDMO COC(=O)c1cc(C(=O)OCC[C@H]2CCCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000747575785 679891297 /nfs/dbraw/zinc/89/12/97/679891297.db2.gz NBXNUMBVYQNSLO-CQSZACIVSA-N 1 1 350.371 2.413 20 5 FEBDMO O=C(NCC1=CC[N@@H+](CCc2ccccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672906 680436667 /nfs/dbraw/zinc/43/66/67/680436667.db2.gz BUKZDFHUWBPMCR-NVXWUHKLSA-N 1 1 363.845 2.296 20 5 FEBDMO O=C(NCC1=CC[N@H+](CCc2ccccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000672906 680436672 /nfs/dbraw/zinc/43/66/72/680436672.db2.gz BUKZDFHUWBPMCR-NVXWUHKLSA-N 1 1 363.845 2.296 20 5 FEBDMO O=C(NCC1=CC[N@@H+](CCc2ccccc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001000672906 680436676 /nfs/dbraw/zinc/43/66/76/680436676.db2.gz BUKZDFHUWBPMCR-NVXWUHKLSA-N 1 1 363.845 2.296 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCc1cccs1)CC2 ZINC001040700728 680483407 /nfs/dbraw/zinc/48/34/07/680483407.db2.gz PXOHBXFHLLFZFH-HZPDHXFCSA-N 1 1 363.483 2.270 20 5 FEBDMO O=C(OC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842304768 680937592 /nfs/dbraw/zinc/93/75/92/680937592.db2.gz LIXNATPRCDRXOF-SGIREYDYSA-N 1 1 354.353 2.385 20 5 FEBDMO CNC(=O)CCOC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000768549201 680950076 /nfs/dbraw/zinc/95/00/76/680950076.db2.gz VPVVAJYHZXYYLK-UHFFFAOYSA-N 1 1 355.822 2.365 20 5 FEBDMO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccncc2Cl)CC1)[C@@H]1CC1[N+](=O)[O-] ZINC001050326145 681045048 /nfs/dbraw/zinc/04/50/48/681045048.db2.gz UHRRJAWRIURILM-XKVFNRALSA-N 1 1 366.849 2.165 20 5 FEBDMO CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000771562387 681060029 /nfs/dbraw/zinc/06/00/29/681060029.db2.gz NOCOJVIEJVFPRF-GFCCVEGCSA-N 1 1 361.851 2.399 20 5 FEBDMO CC(C)[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000771562387 681060031 /nfs/dbraw/zinc/06/00/31/681060031.db2.gz NOCOJVIEJVFPRF-GFCCVEGCSA-N 1 1 361.851 2.399 20 5 FEBDMO COCCOCC[NH+]1CCN(c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000845774825 681151665 /nfs/dbraw/zinc/15/16/65/681151665.db2.gz VRJOTRDUPKSMPK-UHFFFAOYSA-N 1 1 361.801 2.172 20 5 FEBDMO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000933037201 681353211 /nfs/dbraw/zinc/35/32/11/681353211.db2.gz VQXDXBWDMSLRLS-CYBMUJFWSA-N 1 1 374.224 2.286 20 5 FEBDMO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847257260 681354640 /nfs/dbraw/zinc/35/46/40/681354640.db2.gz VUZLMALYROZIIQ-ZBFHGGJFSA-N 1 1 351.378 2.246 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ncc(Br)cn3)CCC2)n1 ZINC000933321105 681393955 /nfs/dbraw/zinc/39/39/55/681393955.db2.gz NXNBKUGYCUUHMT-UHFFFAOYSA-N 1 1 367.207 2.013 20 5 FEBDMO CCC[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000776595875 681413219 /nfs/dbraw/zinc/41/32/19/681413219.db2.gz BSWDXXPRUQOQHE-ROUUACIJSA-N 1 1 351.447 2.061 20 5 FEBDMO O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)n1 ZINC000933711165 681455909 /nfs/dbraw/zinc/45/59/09/681455909.db2.gz BKIGRBRYUGDMSF-JTQLQIEISA-N 1 1 356.308 2.090 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000933739341 681460433 /nfs/dbraw/zinc/46/04/33/681460433.db2.gz UTXKGJALUYYFNO-BZNIZROVSA-N 1 1 352.822 2.070 20 5 FEBDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849412528 681721066 /nfs/dbraw/zinc/72/10/66/681721066.db2.gz QAGCEQUGCHMUGX-LLVKDONJSA-N 1 1 361.851 2.399 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000849412528 681721069 /nfs/dbraw/zinc/72/10/69/681721069.db2.gz QAGCEQUGCHMUGX-LLVKDONJSA-N 1 1 361.851 2.399 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000779910100 681770148 /nfs/dbraw/zinc/77/01/48/681770148.db2.gz MRUWOYVIJKQNFZ-PWSUYJOCSA-N 1 1 373.862 2.318 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000779910100 681770152 /nfs/dbraw/zinc/77/01/52/681770152.db2.gz MRUWOYVIJKQNFZ-PWSUYJOCSA-N 1 1 373.862 2.318 20 5 FEBDMO C[C@H]1CN(c2nc3ccc([N+](=O)[O-])cc3s2)CC[N@H+]1CC(C)(C)O ZINC000780658588 681857503 /nfs/dbraw/zinc/85/75/03/681857503.db2.gz QUEMEWPNVHPGHQ-NSHDSACASA-N 1 1 350.444 2.486 20 5 FEBDMO O=[N+]([O-])c1cc(OS(=O)(=O)C[C@@]23CC[N@@H+](C2)CCC3)ccc1Cl ZINC000915708194 685517679 /nfs/dbraw/zinc/51/76/79/685517679.db2.gz IOEPSCLIIIJJLH-AWEZNQCLSA-N 1 1 360.819 2.443 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])cc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000916112314 685521494 /nfs/dbraw/zinc/52/14/94/685521494.db2.gz RMRHKKKNHLUUMW-UHFFFAOYSA-N 1 1 352.460 2.220 20 5 FEBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCOC(F)F)CC3)nc2c1 ZINC000851935074 682187681 /nfs/dbraw/zinc/18/76/81/682187681.db2.gz LHRHZUZTJFFNIX-UHFFFAOYSA-N 1 1 355.345 2.222 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)ccc1Br ZINC000852314336 682258492 /nfs/dbraw/zinc/25/84/92/682258492.db2.gz RQRATPMQJYFXPJ-LBPRGKRZSA-N 1 1 366.219 2.471 20 5 FEBDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Cn3ccnn3)C2)ccc1Br ZINC000852314336 682258497 /nfs/dbraw/zinc/25/84/97/682258497.db2.gz RQRATPMQJYFXPJ-LBPRGKRZSA-N 1 1 366.219 2.471 20 5 FEBDMO O=C1CC[C@H]2C[N@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@H]2N1 ZINC000853555874 682433042 /nfs/dbraw/zinc/43/30/42/682433042.db2.gz RAFSRNBARRLZMW-CMPLNLGQSA-N 1 1 362.411 2.430 20 5 FEBDMO O=C1CC[C@H]2C[N@@H+](Cn3c4cc([N+](=O)[O-])ccc4oc3=S)CC[C@H]2N1 ZINC000853555874 682433047 /nfs/dbraw/zinc/43/30/47/682433047.db2.gz RAFSRNBARRLZMW-CMPLNLGQSA-N 1 1 362.411 2.430 20 5 FEBDMO COC(=O)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000787325513 682450767 /nfs/dbraw/zinc/45/07/67/682450767.db2.gz GEPSXOOOHIEQIH-MWLCHTKSSA-N 1 1 355.778 2.070 20 5 FEBDMO COC(=O)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000787325513 682450771 /nfs/dbraw/zinc/45/07/71/682450771.db2.gz GEPSXOOOHIEQIH-MWLCHTKSSA-N 1 1 355.778 2.070 20 5 FEBDMO COc1cc(F)c([N+](=O)[O-])c(N2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000853688380 682456434 /nfs/dbraw/zinc/45/64/34/682456434.db2.gz NNXAZKAMEOLECN-UHFFFAOYSA-N 1 1 353.394 2.434 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000791060758 682721589 /nfs/dbraw/zinc/72/15/89/682721589.db2.gz MJYQMKRVCLAQBG-ZDUSSCGKSA-N 1 1 363.443 2.450 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc([N+](=O)[O-])c1C ZINC000928086570 683376577 /nfs/dbraw/zinc/37/65/77/683376577.db2.gz PQRHNJJRMSXFQQ-UKRRQHHQSA-N 1 1 365.455 2.221 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc([N+](=O)[O-])c1C ZINC000928086570 683376582 /nfs/dbraw/zinc/37/65/82/683376582.db2.gz PQRHNJJRMSXFQQ-UKRRQHHQSA-N 1 1 365.455 2.221 20 5 FEBDMO O=C(N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000928105719 683396806 /nfs/dbraw/zinc/39/68/06/683396806.db2.gz VQTFLOZQUIVSIE-GXTWGEPZSA-N 1 1 357.382 2.183 20 5 FEBDMO O=C(N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1cc(F)c([N+](=O)[O-])cc1F ZINC000928105719 683396812 /nfs/dbraw/zinc/39/68/12/683396812.db2.gz VQTFLOZQUIVSIE-GXTWGEPZSA-N 1 1 357.382 2.183 20 5 FEBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H]([N@H+]2CC[C@@H](O)C2)C1 ZINC000861713521 683459741 /nfs/dbraw/zinc/45/97/41/683459741.db2.gz DBFXWKFYAVMWHH-WDEREUQCSA-N 1 1 374.224 2.183 20 5 FEBDMO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385737 683712187 /nfs/dbraw/zinc/71/21/87/683712187.db2.gz ABVYJRXAVOJQGC-ZJPYXAASSA-N 1 1 351.422 2.303 20 5 FEBDMO CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H](NCc1ccc([N+](=O)[O-])cc1F)C2 ZINC000922385737 683712196 /nfs/dbraw/zinc/71/21/96/683712196.db2.gz ABVYJRXAVOJQGC-ZJPYXAASSA-N 1 1 351.422 2.303 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000866793913 684154289 /nfs/dbraw/zinc/15/42/89/684154289.db2.gz LKZZDJXDHQRPMF-GFCCVEGCSA-N 1 1 359.423 2.005 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000866972198 684189443 /nfs/dbraw/zinc/18/94/43/684189443.db2.gz NQKLZRBUKMBBBK-JSGCOSHPSA-N 1 1 371.434 2.147 20 5 FEBDMO C[C@@H](NC(=O)CCc1c(Cl)cccc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000932055765 684398685 /nfs/dbraw/zinc/39/86/85/684398685.db2.gz WKOVEAVYWFIMFQ-OLZOCXBDSA-N 1 1 369.849 2.406 20 5 FEBDMO C[C@H](C[C@H]1COCC[NH2+]1)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000925762739 684583162 /nfs/dbraw/zinc/58/31/62/684583162.db2.gz NRPDIEALXYJFCF-MFKMUULPSA-N 1 1 358.236 2.214 20 5 FEBDMO CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000876719623 686252841 /nfs/dbraw/zinc/25/28/41/686252841.db2.gz PYPQULCDGLIHNH-UHFFFAOYSA-N 1 1 353.423 2.160 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000878154484 686531248 /nfs/dbraw/zinc/53/12/48/686531248.db2.gz VRDAGGHERXACLX-CYBMUJFWSA-N 1 1 353.423 2.041 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879558771 686855578 /nfs/dbraw/zinc/85/55/78/686855578.db2.gz KWKGJDFFJFPFEX-VXGBXAGGSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000879558771 686855584 /nfs/dbraw/zinc/85/55/84/686855584.db2.gz KWKGJDFFJFPFEX-VXGBXAGGSA-N 1 1 351.428 2.227 20 5 FEBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCCSC[C@@H]2c2ccccc2)c1 ZINC000880388755 687043287 /nfs/dbraw/zinc/04/32/87/687043287.db2.gz UTFJJTRBUKMVQM-IAGOWNOFSA-N 1 1 362.455 2.332 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000881940031 687266711 /nfs/dbraw/zinc/26/67/11/687266711.db2.gz SEWZEJPWGFBFAK-GFCCVEGCSA-N 1 1 371.846 2.191 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000884951542 687972527 /nfs/dbraw/zinc/97/25/27/687972527.db2.gz FUBPLRLGNDKAEF-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000884956014 687973896 /nfs/dbraw/zinc/97/38/96/687973896.db2.gz XPNJHFXWSJKMSO-KBPBESRZSA-N 1 1 353.444 2.117 20 5 FEBDMO CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412803 688249225 /nfs/dbraw/zinc/24/92/25/688249225.db2.gz SUGWNHBMVYBSGH-ZDUSSCGKSA-N 1 1 353.423 2.123 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887929376 688521747 /nfs/dbraw/zinc/52/17/47/688521747.db2.gz UHJHFABLCXLRSN-BZNIZROVSA-N 1 1 355.341 2.220 20 5 FEBDMO C[C@@]1(Br)C[C@H]1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000894801421 689599095 /nfs/dbraw/zinc/59/90/95/689599095.db2.gz JBWCFKZPCZIECW-SMDDNHRTSA-N 1 1 355.236 2.285 20 5 FEBDMO C[C@@H]1[C@H](Nc2nc(N[C@@H]3CCN(C)[C@H]3C)c([N+](=O)[O-])s2)CC[N@@H+]1C ZINC000895741015 689764009 /nfs/dbraw/zinc/76/40/09/689764009.db2.gz WQAQXOJQHRRWFT-IRCOFANPSA-N 1 1 354.480 2.060 20 5 FEBDMO C[C@@H]1[C@H](Nc2nc(N[C@@H]3CCN(C)[C@H]3C)c([N+](=O)[O-])s2)CC[N@H+]1C ZINC000895741015 689764012 /nfs/dbraw/zinc/76/40/12/689764012.db2.gz WQAQXOJQHRRWFT-IRCOFANPSA-N 1 1 354.480 2.060 20 5 FEBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896547473 689890701 /nfs/dbraw/zinc/89/07/01/689890701.db2.gz BYJSJBIJUZYVNN-SWLSCSKDSA-N 1 1 366.487 2.071 20 5 FEBDMO COc1cc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000897685038 690062901 /nfs/dbraw/zinc/06/29/01/690062901.db2.gz ZGJZGAYFVYMFDT-BXKDBHETSA-N 1 1 364.320 2.357 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000897685038 690062902 /nfs/dbraw/zinc/06/29/02/690062902.db2.gz ZGJZGAYFVYMFDT-BXKDBHETSA-N 1 1 364.320 2.357 20 5 FEBDMO O=[N+]([O-])c1ccc(NC(=S)NC[C@@H]2CC[N@H+]2C2CCOCC2)cc1 ZINC000899600771 690385261 /nfs/dbraw/zinc/38/52/61/690385261.db2.gz CFVVLVYEBGQYJR-HNNXBMFYSA-N 1 1 350.444 2.135 20 5 FEBDMO O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCC[NH+]1CCOCC1 ZINC000905046404 691060885 /nfs/dbraw/zinc/06/08/85/691060885.db2.gz OZYXXUMXRSCZBU-UHFFFAOYSA-N 1 1 355.822 2.019 20 5 FEBDMO CCCC[N@@H+](C)CCNC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC000906660199 691298638 /nfs/dbraw/zinc/29/86/38/691298638.db2.gz OCGIWVHIPPHBEW-UHFFFAOYSA-N 1 1 351.403 2.218 20 5 FEBDMO COc1cc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)ncc1[N+](=O)[O-] ZINC001164648793 719309710 /nfs/dbraw/zinc/30/97/10/719309710.db2.gz LOSILWBIUQBSOH-UHFFFAOYSA-N 1 1 374.445 2.400 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c([N+](=O)[O-])c1 ZINC001164724898 720358232 /nfs/dbraw/zinc/35/82/32/720358232.db2.gz LNVFPSOCAITKQN-CABCVRRESA-N 1 1 370.369 2.146 20 5 FEBDMO Cc1ncc([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164862995 720954352 /nfs/dbraw/zinc/95/43/52/720954352.db2.gz XOHRKQHIDZWXRU-LBPRGKRZSA-N 1 1 359.434 2.311 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c(F)c1 ZINC000800311183 674040894 /nfs/dbraw/zinc/04/08/94/674040894.db2.gz KXSBVIGVXRKHJB-UHFFFAOYSA-N 1 1 366.414 2.481 20 5 FEBDMO COCC[N@@H+](Cc1ccco1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026449631 539786091 /nfs/dbraw/zinc/78/60/91/539786091.db2.gz DGHZRKSTZYIOFG-HNNXBMFYSA-N 1 1 350.371 2.076 20 5 FEBDMO COCC[N@H+](Cc1ccco1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026449631 539786095 /nfs/dbraw/zinc/78/60/95/539786095.db2.gz DGHZRKSTZYIOFG-HNNXBMFYSA-N 1 1 350.371 2.076 20 5 FEBDMO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CCc2ccccc2C1 ZINC000032355339 539935098 /nfs/dbraw/zinc/93/50/98/539935098.db2.gz QKIBDKUZWFSQPA-UHFFFAOYSA-N 1 1 355.394 2.148 20 5 FEBDMO CCOc1cc(C(=O)NCCC[N@@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000041928404 540040355 /nfs/dbraw/zinc/04/03/55/540040355.db2.gz RUTZGEFRUGRINF-UHFFFAOYSA-N 1 1 353.419 2.462 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000043147694 540091470 /nfs/dbraw/zinc/09/14/70/540091470.db2.gz HVYQPOPNNVNUHB-UHFFFAOYSA-N 1 1 363.462 2.442 20 5 FEBDMO Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000046343973 540252684 /nfs/dbraw/zinc/25/26/84/540252684.db2.gz DDECKYWTLYQOOW-QGZVFWFLSA-N 1 1 371.437 2.465 20 5 FEBDMO CN1CC[NH+](Cc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000047284807 540302049 /nfs/dbraw/zinc/30/20/49/540302049.db2.gz HDBLICJUYPBYGK-UHFFFAOYSA-N 1 1 368.437 2.272 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000050995659 540418383 /nfs/dbraw/zinc/41/83/83/540418383.db2.gz XTJFSYACTOYKFX-AWEZNQCLSA-N 1 1 373.413 2.383 20 5 FEBDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000050995659 540418385 /nfs/dbraw/zinc/41/83/85/540418385.db2.gz XTJFSYACTOYKFX-AWEZNQCLSA-N 1 1 373.413 2.383 20 5 FEBDMO CC(=O)NCC1CC[NH+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000052849047 540493207 /nfs/dbraw/zinc/49/32/07/540493207.db2.gz YPXBGGWWVBWPLC-ZDUSSCGKSA-N 1 1 362.430 2.078 20 5 FEBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000053515200 540541269 /nfs/dbraw/zinc/54/12/69/540541269.db2.gz UUGXIIHQVJOUPJ-AWEZNQCLSA-N 1 1 371.441 2.457 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000053359577 540528670 /nfs/dbraw/zinc/52/86/70/540528670.db2.gz SAKYYZFQFBQYEX-OAHLLOKOSA-N 1 1 371.441 2.482 20 5 FEBDMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3csc([N+](=O)[O-])c3)cc2)CC1 ZINC000056299079 540716897 /nfs/dbraw/zinc/71/68/97/540716897.db2.gz CFOUCVMZORLMHG-UHFFFAOYSA-N 1 1 374.422 2.296 20 5 FEBDMO C[N@@H+](CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000062127788 541145019 /nfs/dbraw/zinc/14/50/19/541145019.db2.gz KUKBUOQWFYHAFA-UHFFFAOYSA-N 1 1 362.430 2.304 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1Cl ZINC000065769357 541260050 /nfs/dbraw/zinc/26/00/50/541260050.db2.gz FFVOJMLDPRIELK-HNNXBMFYSA-N 1 1 365.821 2.254 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000068037561 541541240 /nfs/dbraw/zinc/54/12/40/541541240.db2.gz IHJWSLKPMBGATA-HNNXBMFYSA-N 1 1 361.423 2.148 20 5 FEBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000068037561 541541245 /nfs/dbraw/zinc/54/12/45/541541245.db2.gz IHJWSLKPMBGATA-HNNXBMFYSA-N 1 1 361.423 2.148 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000068317548 541576045 /nfs/dbraw/zinc/57/60/45/541576045.db2.gz MUFZOKMRRYXGGX-UHFFFAOYSA-N 1 1 355.398 2.302 20 5 FEBDMO O=C(NCCNc1ccc([N+](=O)[O-])cc1)NCC[NH+]1Cc2ccccc2C1 ZINC000068407965 541588638 /nfs/dbraw/zinc/58/86/38/541588638.db2.gz APAXIZYBPKXPSW-UHFFFAOYSA-N 1 1 369.425 2.322 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000072716470 541855687 /nfs/dbraw/zinc/85/56/87/541855687.db2.gz WIZLWCFJDZIEHW-OAHLLOKOSA-N 1 1 367.471 2.256 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC2(C1)CCOCC2 ZINC000072898768 541891247 /nfs/dbraw/zinc/89/12/47/541891247.db2.gz QQVNCLTXRDMCDF-UHFFFAOYSA-N 1 1 363.414 2.435 20 5 FEBDMO CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072975840 541900666 /nfs/dbraw/zinc/90/06/66/541900666.db2.gz BGJBTBABWUIESR-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000072975840 541900670 /nfs/dbraw/zinc/90/06/70/541900670.db2.gz BGJBTBABWUIESR-CYBMUJFWSA-N 1 1 351.403 2.290 20 5 FEBDMO Cc1ccc(CNCc2ccc(C(=O)NCC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000076893844 542328777 /nfs/dbraw/zinc/32/87/77/542328777.db2.gz UZOJJAFWVDVXJL-UHFFFAOYSA-N 1 1 370.453 2.484 20 5 FEBDMO Cc1cnc(NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c([N+](=O)[O-])c1 ZINC000078631050 542473193 /nfs/dbraw/zinc/47/31/93/542473193.db2.gz PDTKBNHODKDGNH-UHFFFAOYSA-N 1 1 369.425 2.298 20 5 FEBDMO COc1cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c([N+](=O)[O-])cc1OC ZINC000092070219 542842584 /nfs/dbraw/zinc/84/25/84/542842584.db2.gz PKAWORDLIJRCSS-ZDUSSCGKSA-N 1 1 361.402 2.116 20 5 FEBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000092101803 542845640 /nfs/dbraw/zinc/84/56/40/542845640.db2.gz CNAIMLVTTWXHMY-GFCCVEGCSA-N 1 1 357.357 2.496 20 5 FEBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092100336 542845717 /nfs/dbraw/zinc/84/57/17/542845717.db2.gz FZSLPYSGEXTXFA-OAHLLOKOSA-N 1 1 371.441 2.296 20 5 FEBDMO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000094134871 542954174 /nfs/dbraw/zinc/95/41/74/542954174.db2.gz XEWUPDMIWRTOBO-CYBMUJFWSA-N 1 1 362.474 2.133 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000102410343 543069054 /nfs/dbraw/zinc/06/90/54/543069054.db2.gz TZTDRCZDRINFKR-HNNXBMFYSA-N 1 1 373.413 2.466 20 5 FEBDMO COc1cc(C[N@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)c([N+](=O)[O-])cc1OC(F)F ZINC000103285317 543101303 /nfs/dbraw/zinc/10/13/03/543101303.db2.gz SVVBULWKLPMHLG-UWVGGRQHSA-N 1 1 373.356 2.291 20 5 FEBDMO C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCCCNC1=O ZINC000105611307 543177808 /nfs/dbraw/zinc/17/78/08/543177808.db2.gz JCKDFWLFLQOGHR-OAHLLOKOSA-N 1 1 358.398 2.393 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCCN1c1cccnn1 ZINC000106088635 543193690 /nfs/dbraw/zinc/19/36/90/543193690.db2.gz WGYPENCCOBNGPE-INIZCTEOSA-N 1 1 357.414 2.494 20 5 FEBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000247449518 549335365 /nfs/dbraw/zinc/33/53/65/549335365.db2.gz YZAIBVLZUWKHJF-KSSFIOAISA-N 1 1 369.425 2.337 20 5 FEBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000113231113 543478629 /nfs/dbraw/zinc/47/86/29/543478629.db2.gz PTJYGPFEXBXXML-CZUORRHYSA-N 1 1 369.425 2.304 20 5 FEBDMO O=[N+]([O-])c1cc(Cl)ccc1NCCCCN1CC[NH+](CCO)CC1 ZINC000114450869 543516257 /nfs/dbraw/zinc/51/62/57/543516257.db2.gz ZCGWJGHNOOGCJO-UHFFFAOYSA-N 1 1 356.854 2.050 20 5 FEBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1c([N+](=O)[O-])cnn1C ZINC000124291846 543811743 /nfs/dbraw/zinc/81/17/43/543811743.db2.gz RTTVYBUJXRICLX-AWEZNQCLSA-N 1 1 357.414 2.065 20 5 FEBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CN1 ZINC000125011483 543856020 /nfs/dbraw/zinc/85/60/20/543856020.db2.gz GURYUPBGNSHHCO-HIFRSBDPSA-N 1 1 371.397 2.135 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000125246602 543870076 /nfs/dbraw/zinc/87/00/76/543870076.db2.gz ZTXLJMOHVKJURZ-UHFFFAOYSA-N 1 1 369.425 2.449 20 5 FEBDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126387830 543933238 /nfs/dbraw/zinc/93/32/38/543933238.db2.gz UYDQBBCLJXYXCR-MCFWBGNESA-N 1 1 351.428 2.491 20 5 FEBDMO Nc1c(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc(F)cc1[N+](=O)[O-] ZINC000126827522 543958641 /nfs/dbraw/zinc/95/86/41/543958641.db2.gz BTPRUOJLRQYYHI-IAQYHMDHSA-N 1 1 362.405 2.405 20 5 FEBDMO CC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000130589001 544157086 /nfs/dbraw/zinc/15/70/86/544157086.db2.gz JPUYQUIWFPBLQI-LBPRGKRZSA-N 1 1 373.251 2.299 20 5 FEBDMO CC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000130589001 544157088 /nfs/dbraw/zinc/15/70/88/544157088.db2.gz JPUYQUIWFPBLQI-LBPRGKRZSA-N 1 1 373.251 2.299 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N(C)CCCn2cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000130674140 544160611 /nfs/dbraw/zinc/16/06/11/544160611.db2.gz PVIPSNLFLRKOLY-UHFFFAOYSA-N 1 1 374.397 2.439 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@@H+]1CCOC ZINC000130984654 544173106 /nfs/dbraw/zinc/17/31/06/544173106.db2.gz YNDRETLHCGUZKP-HNNXBMFYSA-N 1 1 365.430 2.176 20 5 FEBDMO CCC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC[N@H+]1CCOC ZINC000130984654 544173108 /nfs/dbraw/zinc/17/31/08/544173108.db2.gz YNDRETLHCGUZKP-HNNXBMFYSA-N 1 1 365.430 2.176 20 5 FEBDMO Cc1nn(Cc2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2)c(C)c1[N+](=O)[O-] ZINC000098080787 222226700 /nfs/dbraw/zinc/22/67/00/222226700.db2.gz GLQNHECTTJURQA-UHFFFAOYSA-N 1 1 371.441 2.234 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCS3(=O)=O)cs2)c1 ZINC000131675896 544201418 /nfs/dbraw/zinc/20/14/18/544201418.db2.gz DKMTZYBCFHNFOV-CQSZACIVSA-N 1 1 367.452 2.385 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000132868002 544246861 /nfs/dbraw/zinc/24/68/61/544246861.db2.gz HPYADTASOJRRNQ-OKILXGFUSA-N 1 1 365.478 2.363 20 5 FEBDMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccn(-c3ccccc3[N+](=O)[O-])n1)C2 ZINC000134789545 544321749 /nfs/dbraw/zinc/32/17/49/544321749.db2.gz MGLNNMBMNYXOBL-UONOGXRCSA-N 1 1 355.398 2.089 20 5 FEBDMO Cc1c(NC(=O)CC[N@H+]2CCS[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000135510762 544349762 /nfs/dbraw/zinc/34/97/62/544349762.db2.gz ISQIBWOIEZHHKM-JKSUJKDBSA-N 1 1 365.455 2.438 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1[nH]ncc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000135507521 544350074 /nfs/dbraw/zinc/35/00/74/544350074.db2.gz ZSBOYMPWAUNBMH-OAHLLOKOSA-N 1 1 357.414 2.131 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000135507521 544350076 /nfs/dbraw/zinc/35/00/76/544350076.db2.gz ZSBOYMPWAUNBMH-OAHLLOKOSA-N 1 1 357.414 2.131 20 5 FEBDMO CC(C)[C@@H](CNC(=O)c1n[nH]cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC000135507521 544350077 /nfs/dbraw/zinc/35/00/77/544350077.db2.gz ZSBOYMPWAUNBMH-OAHLLOKOSA-N 1 1 357.414 2.131 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)CN2CC[NH+](CCOc3ccccc3)CC2)c1 ZINC000136892573 544381093 /nfs/dbraw/zinc/38/10/93/544381093.db2.gz YPRPXTLMYHZDCT-HXUWFJFHSA-N 1 1 371.437 2.325 20 5 FEBDMO C[C@H]1C[C@H](NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C[N@H+]1C1CC1 ZINC000152988079 544719624 /nfs/dbraw/zinc/71/96/24/544719624.db2.gz BNSYYIUXFWDRIL-STQMWFEESA-N 1 1 355.398 2.136 20 5 FEBDMO CC[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000153265828 544754217 /nfs/dbraw/zinc/75/42/17/544754217.db2.gz RNIAHAKEZKWNBG-UHFFFAOYSA-N 1 1 370.247 2.454 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153286407 544756330 /nfs/dbraw/zinc/75/63/30/544756330.db2.gz RVVDZFJICWTNRB-CHWSQXEVSA-N 1 1 351.403 2.167 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000153286407 544756333 /nfs/dbraw/zinc/75/63/33/544756333.db2.gz RVVDZFJICWTNRB-CHWSQXEVSA-N 1 1 351.403 2.167 20 5 FEBDMO COc1cc(COC(=O)CCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000803512434 674247156 /nfs/dbraw/zinc/24/71/56/674247156.db2.gz OGEWPWYBFRULTL-UHFFFAOYSA-N 1 1 352.387 2.149 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC(Cn4cncn4)CC3)n2)cc1 ZINC000186248920 327953759 /nfs/dbraw/zinc/95/37/59/327953759.db2.gz JIBJRSSTGPMPIJ-UHFFFAOYSA-N 1 1 369.385 2.149 20 5 FEBDMO CCC[N@H+]1CC[C@@H](CNC(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000188929034 328118447 /nfs/dbraw/zinc/11/84/47/328118447.db2.gz VHVXIKUTGYTULU-AWEZNQCLSA-N 1 1 362.430 2.099 20 5 FEBDMO COc1ccc(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000189148351 328131338 /nfs/dbraw/zinc/13/13/38/328131338.db2.gz AZCKUXSTDJINEG-QWHCGFSZSA-N 1 1 371.459 2.002 20 5 FEBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000189147785 328131477 /nfs/dbraw/zinc/13/14/77/328131477.db2.gz HGJGFCKTYBRWGI-UONOGXRCSA-N 1 1 355.460 2.135 20 5 FEBDMO COCC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(=O)N2CCCC2)c1 ZINC000189427182 328147685 /nfs/dbraw/zinc/14/76/85/328147685.db2.gz LJNPADPTXYAERT-UHFFFAOYSA-N 1 1 364.446 2.211 20 5 FEBDMO O=C1C[C@H]([NH+]2CCC([C@H]3CCCO3)CC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000190079870 328186509 /nfs/dbraw/zinc/18/65/09/328186509.db2.gz HRBZKDXPTNMDHQ-DLBZAZTESA-N 1 1 373.409 2.118 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000191324428 328260221 /nfs/dbraw/zinc/26/02/21/328260221.db2.gz LAQSLPIGRVVQBX-LBPRGKRZSA-N 1 1 350.419 2.301 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000191987159 328292020 /nfs/dbraw/zinc/29/20/20/328292020.db2.gz JAWPYTGLTIEWOB-UONOGXRCSA-N 1 1 355.460 2.172 20 5 FEBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000192685593 328333157 /nfs/dbraw/zinc/33/31/57/328333157.db2.gz DAMQWBBKFMOGCV-INIZCTEOSA-N 1 1 367.402 2.315 20 5 FEBDMO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000008863773 324364027 /nfs/dbraw/zinc/36/40/27/324364027.db2.gz VJPMCRRGFXBQJK-AWEZNQCLSA-N 1 1 362.411 2.014 20 5 FEBDMO C[C@H]([C@H](C)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000078511709 325049320 /nfs/dbraw/zinc/04/93/20/325049320.db2.gz UEQUJSAETBODGZ-LSDHHAIUSA-N 1 1 364.446 2.012 20 5 FEBDMO CCOC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081544323 325182625 /nfs/dbraw/zinc/18/26/25/325182625.db2.gz GLWVLLFJUUGIMJ-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO CCOC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000081544323 325182629 /nfs/dbraw/zinc/18/26/29/325182629.db2.gz GLWVLLFJUUGIMJ-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO COc1cc(C[NH2+][C@H](C(N)=O)C(C)(C)C)c([N+](=O)[O-])cc1OC(F)F ZINC000081607057 325188667 /nfs/dbraw/zinc/18/86/67/325188667.db2.gz JWMOJRDRKBQBMC-GFCCVEGCSA-N 1 1 361.345 2.194 20 5 FEBDMO CC(C)[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000089306214 325311081 /nfs/dbraw/zinc/31/10/81/325311081.db2.gz JPRKUDIAICWXPH-DAYGRLMNSA-N 1 1 363.458 2.387 20 5 FEBDMO CC(C)[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000089306214 325311085 /nfs/dbraw/zinc/31/10/85/325311085.db2.gz JPRKUDIAICWXPH-DAYGRLMNSA-N 1 1 363.458 2.387 20 5 FEBDMO Cc1ccc([C@@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)[NH+]2CCCC2)o1 ZINC000101527446 325469924 /nfs/dbraw/zinc/46/99/24/325469924.db2.gz RWQQCSLATIMQGX-CYBMUJFWSA-N 1 1 361.402 2.105 20 5 FEBDMO CCS(=O)(=O)N(C)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000109009062 325655970 /nfs/dbraw/zinc/65/59/70/325655970.db2.gz JTHANWNRPVPERE-ZDUSSCGKSA-N 1 1 355.460 2.402 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)Nc2ccncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000245562696 328558525 /nfs/dbraw/zinc/55/85/25/328558525.db2.gz PBVAHRPQGNPTTP-MGPQQGTHSA-N 1 1 363.418 2.095 20 5 FEBDMO CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000118787470 326102747 /nfs/dbraw/zinc/10/27/47/326102747.db2.gz HCFWAOWFGKOOGX-AWEZNQCLSA-N 1 1 363.462 2.298 20 5 FEBDMO C[C@H]1C[NH+](C(C)(C)CNC(=O)c2cc(F)c(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000119893848 326209707 /nfs/dbraw/zinc/20/97/07/326209707.db2.gz QYWUBEQKTPPCBQ-QWRGUYRKSA-N 1 1 371.384 2.491 20 5 FEBDMO CC(C)C[N@H+]1CCC[C@@H](C[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000120244810 326243364 /nfs/dbraw/zinc/24/33/64/326243364.db2.gz RFUGWALOOLEWHI-ZDUSSCGKSA-N 1 1 373.450 2.380 20 5 FEBDMO CC(C)C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000120244810 326243365 /nfs/dbraw/zinc/24/33/65/326243365.db2.gz RFUGWALOOLEWHI-ZDUSSCGKSA-N 1 1 373.450 2.380 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000120669958 326277339 /nfs/dbraw/zinc/27/73/39/326277339.db2.gz WVKVRQKQNUNRNU-MNOVXSKESA-N 1 1 368.821 2.128 20 5 FEBDMO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c2cccnc12)[NH+]1CCOCC1 ZINC000121376641 326333794 /nfs/dbraw/zinc/33/37/94/326333794.db2.gz WNXWSIPYXBRTMQ-KRWDZBQOSA-N 1 1 372.425 2.230 20 5 FEBDMO CCC[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CC[N@H+]1CCOC ZINC000121752803 326363845 /nfs/dbraw/zinc/36/38/45/326363845.db2.gz JNILQCWFNLXDPC-QGZVFWFLSA-N 1 1 351.447 2.406 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000121806348 326368716 /nfs/dbraw/zinc/36/87/16/326368716.db2.gz WNTLRGPDUCOICT-CQSZACIVSA-N 1 1 374.441 2.317 20 5 FEBDMO O=C(c1ccc(O)cc1)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000132684789 326596526 /nfs/dbraw/zinc/59/65/26/326596526.db2.gz GJHBUHMPQUKWEQ-UHFFFAOYSA-N 1 1 371.393 2.057 20 5 FEBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000162270319 327021311 /nfs/dbraw/zinc/02/13/11/327021311.db2.gz UYRBNZGDXHQEFT-UHFFFAOYSA-N 1 1 359.220 2.331 20 5 FEBDMO O=C(C1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1)N1CCOCC1 ZINC000163299657 327048107 /nfs/dbraw/zinc/04/81/07/327048107.db2.gz JTIQBXIHQFQQFO-UHFFFAOYSA-N 1 1 367.833 2.319 20 5 FEBDMO Cc1c([N+](=O)[O-])cc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000164232211 327067110 /nfs/dbraw/zinc/06/71/10/327067110.db2.gz VABKQZMTMSFPDJ-OCCSQVGLSA-N 1 1 362.386 2.368 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171025906 327113242 /nfs/dbraw/zinc/11/32/42/327113242.db2.gz PAFVCTQOMOBELG-GUTXKFCHSA-N 1 1 362.430 2.012 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171025906 327113243 /nfs/dbraw/zinc/11/32/43/327113243.db2.gz PAFVCTQOMOBELG-GUTXKFCHSA-N 1 1 362.430 2.012 20 5 FEBDMO C[C@H]1C[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000173265746 327245109 /nfs/dbraw/zinc/24/51/09/327245109.db2.gz DKUHADAJOAAHQM-CMPLNLGQSA-N 1 1 361.851 2.351 20 5 FEBDMO O=[N+]([O-])c1cccc(-c2cnc(CC[N@H+]3CC[C@@H](N4CCOCC4)C3)o2)c1 ZINC000173996105 327300275 /nfs/dbraw/zinc/30/02/75/327300275.db2.gz OHBFKJXMHWWEAF-QGZVFWFLSA-N 1 1 372.425 2.199 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174141317 327308308 /nfs/dbraw/zinc/30/83/08/327308308.db2.gz FICHLZXBZNSJNX-STQMWFEESA-N 1 1 351.403 2.289 20 5 FEBDMO CCOC(=O)c1cc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc([N+](=O)[O-])c1 ZINC000174536646 327333183 /nfs/dbraw/zinc/33/31/83/327333183.db2.gz FITZWBGADLGVKR-ZDUSSCGKSA-N 1 1 363.414 2.185 20 5 FEBDMO O=C([C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1)N1CCCCC1 ZINC000174833763 327354027 /nfs/dbraw/zinc/35/40/27/327354027.db2.gz WGDFJRIQKMRWHA-QGZVFWFLSA-N 1 1 357.414 2.135 20 5 FEBDMO O=C(COc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261632842 328807245 /nfs/dbraw/zinc/80/72/45/328807245.db2.gz BBTVEPYXELWZQI-INIZCTEOSA-N 1 1 359.357 2.286 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000264360840 329014288 /nfs/dbraw/zinc/01/42/88/329014288.db2.gz AVFWJEKQNFTONE-HNNXBMFYSA-N 1 1 363.418 2.109 20 5 FEBDMO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000264854262 329067730 /nfs/dbraw/zinc/06/77/30/329067730.db2.gz CVBUKXFPXMBASI-CQSZACIVSA-N 1 1 373.457 2.080 20 5 FEBDMO COC(=O)[C@@H]1CC12CC[NH+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000265093848 329090093 /nfs/dbraw/zinc/09/00/93/329090093.db2.gz VNUDNFOXVOVMAJ-AWEZNQCLSA-N 1 1 361.398 2.117 20 5 FEBDMO COc1cc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1OC ZINC000265960573 329176797 /nfs/dbraw/zinc/17/67/97/329176797.db2.gz QBXKDJZIQWHGCK-CHWSQXEVSA-N 1 1 365.430 2.462 20 5 FEBDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2)C1 ZINC000266634482 329244181 /nfs/dbraw/zinc/24/41/81/329244181.db2.gz JCEXYMXPEVBLRL-CQSZACIVSA-N 1 1 373.413 2.151 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000267437874 329327379 /nfs/dbraw/zinc/32/73/79/329327379.db2.gz NXUJMMFVZKACDL-PBHICJAKSA-N 1 1 371.441 2.127 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C)(OC)CC1 ZINC000271780519 329724377 /nfs/dbraw/zinc/72/43/77/329724377.db2.gz SBGSXDKDJBAEQR-GFCCVEGCSA-N 1 1 351.403 2.431 20 5 FEBDMO CC(=O)N1CCC(C[NH2+][C@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272497457 329785644 /nfs/dbraw/zinc/78/56/44/329785644.db2.gz GERQSYVGIYEWMY-SFHVURJKSA-N 1 1 371.441 2.266 20 5 FEBDMO COC(=O)N1CCC([NH2+][C@@H](c2nccn2C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000272494726 329785811 /nfs/dbraw/zinc/78/58/11/329785811.db2.gz FPVOXEZFGCEFCI-MRXNPFEDSA-N 1 1 373.413 2.238 20 5 FEBDMO CCOc1ccc(NC(=O)C[NH+]2CCC(CCCO)CC2)c([N+](=O)[O-])c1 ZINC000272924669 329824098 /nfs/dbraw/zinc/82/40/98/329824098.db2.gz JGJDLBUDCIDGPG-UHFFFAOYSA-N 1 1 365.430 2.417 20 5 FEBDMO CSc1ccc(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000281817279 330176579 /nfs/dbraw/zinc/17/65/79/330176579.db2.gz QUCULBBMOQHCPX-UHFFFAOYSA-N 1 1 366.487 2.073 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299697077 330199268 /nfs/dbraw/zinc/19/92/68/330199268.db2.gz OLVLWHILIAXMON-KGLIPLIRSA-N 1 1 362.430 2.091 20 5 FEBDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000371461427 330244959 /nfs/dbraw/zinc/24/49/59/330244959.db2.gz XWFNYAWNDVZEAF-MAUKXSAKSA-N 1 1 360.414 2.295 20 5 FEBDMO COc1ccc(OCC[N@@H+](CCO)[C@H]2CCCSC2)c([N+](=O)[O-])c1 ZINC000433184865 330275244 /nfs/dbraw/zinc/27/52/44/330275244.db2.gz YFKIABNGFWQMGH-ZDUSSCGKSA-N 1 1 356.444 2.172 20 5 FEBDMO COCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433187587 330275693 /nfs/dbraw/zinc/27/56/93/330275693.db2.gz OLVLOJIKOHYVDA-CABCVRRESA-N 1 1 370.471 2.179 20 5 FEBDMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000553915209 674294463 /nfs/dbraw/zinc/29/44/63/674294463.db2.gz NGLUZUGEYIRRAY-INIZCTEOSA-N 1 1 367.402 2.315 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000804778142 674300805 /nfs/dbraw/zinc/30/08/05/674300805.db2.gz RNXVSMAQHVAXGW-JTQLQIEISA-N 1 1 371.235 2.357 20 5 FEBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000247555962 549356797 /nfs/dbraw/zinc/35/67/97/549356797.db2.gz TZYRDPOQEQBJHN-ACJLOTCBSA-N 1 1 369.425 2.334 20 5 FEBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000158600621 545876229 /nfs/dbraw/zinc/87/62/29/545876229.db2.gz WVHUNTWEXQNUMY-ZDUSSCGKSA-N 1 1 353.444 2.232 20 5 FEBDMO C[N@@H+](CCOc1ccc(Cl)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159732073 545976387 /nfs/dbraw/zinc/97/63/87/545976387.db2.gz MBFPHWIGOOZHGI-UHFFFAOYSA-N 1 1 351.790 2.421 20 5 FEBDMO COc1ccccc1C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCCO1 ZINC000176245374 546423570 /nfs/dbraw/zinc/42/35/70/546423570.db2.gz GMTCFUWZIHEPCU-INIZCTEOSA-N 1 1 360.414 2.481 20 5 FEBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000176301635 546429531 /nfs/dbraw/zinc/42/95/31/546429531.db2.gz AFNFSIXYLAZTRY-OCCSQVGLSA-N 1 1 370.409 2.135 20 5 FEBDMO COc1cc(C[NH2+]C2(C(N)=O)CCCCC2)c([N+](=O)[O-])cc1OC(F)F ZINC000177123003 546548397 /nfs/dbraw/zinc/54/83/97/546548397.db2.gz ZAKRFXOFNQARCC-UHFFFAOYSA-N 1 1 373.356 2.483 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1C ZINC000480949969 561221020 /nfs/dbraw/zinc/22/10/20/561221020.db2.gz HGBVLPFSVWDEDD-LBPRGKRZSA-N 1 1 355.460 2.222 20 5 FEBDMO Cc1cc(N2CCC(NC(=O)Cc3cccc([N+](=O)[O-])c3)CC2)nc(C)[nH+]1 ZINC000178187180 546754694 /nfs/dbraw/zinc/75/46/94/546754694.db2.gz DBCGBLGGKBCKSB-UHFFFAOYSA-N 1 1 369.425 2.329 20 5 FEBDMO [NH3+]Cc1nc(C(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cs1 ZINC000178603976 546819011 /nfs/dbraw/zinc/81/90/11/546819011.db2.gz BDMVPKRYLGSXRB-UHFFFAOYSA-N 1 1 362.411 2.194 20 5 FEBDMO C[N@H+]1C[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000481851041 561243949 /nfs/dbraw/zinc/24/39/49/561243949.db2.gz HQKWWQVCLZIASO-WBVHZDCISA-N 1 1 354.410 2.221 20 5 FEBDMO C[N@H+]1C[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000481851039 561244042 /nfs/dbraw/zinc/24/40/42/561244042.db2.gz HQKWWQVCLZIASO-NVXWUHKLSA-N 1 1 354.410 2.221 20 5 FEBDMO COCCO[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000179350589 546936869 /nfs/dbraw/zinc/93/68/69/546936869.db2.gz BFMAKGWCGVQWCF-MRXNPFEDSA-N 1 1 365.430 2.359 20 5 FEBDMO CC(C)(C(=O)NCCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1[N+](=O)[O-] ZINC000481965271 561246247 /nfs/dbraw/zinc/24/62/47/561246247.db2.gz GHNSHBMDSVYSDB-OAHLLOKOSA-N 1 1 363.458 2.226 20 5 FEBDMO O=C(NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000180480926 547116526 /nfs/dbraw/zinc/11/65/26/547116526.db2.gz JOAMCCYRVLXVJH-IBGZPJMESA-N 1 1 369.421 2.482 20 5 FEBDMO C[C@H]1OCC[C@@H]1[N@@H+](CCO)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000483277041 561272772 /nfs/dbraw/zinc/27/27/72/561272772.db2.gz IMHLIZNBIYTTFS-CJNGLKHVSA-N 1 1 361.398 2.264 20 5 FEBDMO CNC(=O)C[C@@H]([NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-])c1ccccc1 ZINC000483418653 561276725 /nfs/dbraw/zinc/27/67/25/561276725.db2.gz GGFCHBVJUOHALI-OAHLLOKOSA-N 1 1 370.409 2.309 20 5 FEBDMO O=C([C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1)N1CCOCC1 ZINC000182026419 547424262 /nfs/dbraw/zinc/42/42/62/547424262.db2.gz GMATUFVFPSVWTB-AWEZNQCLSA-N 1 1 367.833 2.319 20 5 FEBDMO Cc1cc(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1 ZINC000183398845 547650142 /nfs/dbraw/zinc/65/01/42/547650142.db2.gz UWZFWHZUWMWREG-LJQANCHMSA-N 1 1 369.421 2.400 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000183396952 547650349 /nfs/dbraw/zinc/65/03/49/547650349.db2.gz ZPEBDCKOZAAKRR-MRXNPFEDSA-N 1 1 359.357 2.486 20 5 FEBDMO NC(=O)c1ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c([N+](=O)[O-])c1 ZINC000183396952 547650351 /nfs/dbraw/zinc/65/03/51/547650351.db2.gz ZPEBDCKOZAAKRR-MRXNPFEDSA-N 1 1 359.357 2.486 20 5 FEBDMO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1nnc2n1CCCC2 ZINC000183847221 547728867 /nfs/dbraw/zinc/72/88/67/547728867.db2.gz SFNYNZPERLVTBG-GFCCVEGCSA-N 1 1 358.402 2.030 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184106121 547770820 /nfs/dbraw/zinc/77/08/20/547770820.db2.gz MFRQONHFAOCZOR-CQSZACIVSA-N 1 1 363.414 2.051 20 5 FEBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184106121 547770823 /nfs/dbraw/zinc/77/08/23/547770823.db2.gz MFRQONHFAOCZOR-CQSZACIVSA-N 1 1 363.414 2.051 20 5 FEBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184132835 547774320 /nfs/dbraw/zinc/77/43/20/547774320.db2.gz YCVOMIXCASILCT-CQSZACIVSA-N 1 1 355.460 2.279 20 5 FEBDMO CCN(C(=O)c1cc([N+](=O)[O-])cnc1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184193067 547784252 /nfs/dbraw/zinc/78/42/52/547784252.db2.gz AVEYNSLAYGOSCO-OAHLLOKOSA-N 1 1 369.425 2.309 20 5 FEBDMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000184309792 547805899 /nfs/dbraw/zinc/80/58/99/547805899.db2.gz MLNFASZCAFSUTC-GFCCVEGCSA-N 1 1 354.838 2.004 20 5 FEBDMO COCCC[N@@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1Br ZINC000184815812 547882453 /nfs/dbraw/zinc/88/24/53/547882453.db2.gz IDRINJQPIUFOEP-UHFFFAOYSA-N 1 1 374.235 2.055 20 5 FEBDMO Cn1cc(-c2cc(C[N@H+]3CC[C@H](Nc4ccc([N+](=O)[O-])cn4)C3)on2)cn1 ZINC000185034486 547920778 /nfs/dbraw/zinc/92/07/78/547920778.db2.gz WXEULRUYGOSRHX-ZDUSSCGKSA-N 1 1 369.385 2.065 20 5 FEBDMO C[C@H]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000185764287 548032940 /nfs/dbraw/zinc/03/29/40/548032940.db2.gz ZPNCUFUIWBLQAG-AWEZNQCLSA-N 1 1 370.409 2.432 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1(N(C)C)CCC1 ZINC000186940607 548225190 /nfs/dbraw/zinc/22/51/90/548225190.db2.gz OOACWVSPMCMTPJ-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)CC1([NH+](C)C)CCC1 ZINC000186940607 548225195 /nfs/dbraw/zinc/22/51/95/548225195.db2.gz OOACWVSPMCMTPJ-UHFFFAOYSA-N 1 1 364.446 2.348 20 5 FEBDMO CC[NH+]1CCN(CCCCNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000193676960 548393097 /nfs/dbraw/zinc/39/30/97/548393097.db2.gz ZJTJPMVXUIVFEW-UHFFFAOYSA-N 1 1 363.462 2.442 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000486646864 561353297 /nfs/dbraw/zinc/35/32/97/561353297.db2.gz QEEGHXPVFJLXTR-OAHLLOKOSA-N 1 1 355.460 2.172 20 5 FEBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000486646864 561353298 /nfs/dbraw/zinc/35/32/98/561353298.db2.gz QEEGHXPVFJLXTR-OAHLLOKOSA-N 1 1 355.460 2.172 20 5 FEBDMO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194736931 548523991 /nfs/dbraw/zinc/52/39/91/548523991.db2.gz MOHCRJFPXDJVBS-HNNXBMFYSA-N 1 1 354.410 2.429 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000195079901 548573655 /nfs/dbraw/zinc/57/36/55/548573655.db2.gz HNFYWJNEFALNER-ZDUSSCGKSA-N 1 1 363.414 2.312 20 5 FEBDMO CCOc1cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000195079901 548573659 /nfs/dbraw/zinc/57/36/59/548573659.db2.gz HNFYWJNEFALNER-ZDUSSCGKSA-N 1 1 363.414 2.312 20 5 FEBDMO C[N@H+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000195138031 548582091 /nfs/dbraw/zinc/58/20/91/548582091.db2.gz PUXLQLUTHTVPGG-ICSRJNTNSA-N 1 1 371.437 2.323 20 5 FEBDMO CC(C)OCC[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000486971289 561360479 /nfs/dbraw/zinc/36/04/79/561360479.db2.gz ANXCLXBFQIHGBF-UHFFFAOYSA-N 1 1 361.402 2.192 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)cn1 ZINC000198650400 548661716 /nfs/dbraw/zinc/66/17/16/548661716.db2.gz ZFAZRINBEVFWKQ-UHFFFAOYSA-N 1 1 356.382 2.083 20 5 FEBDMO COc1ccc(NC(=O)CCN2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487971136 561380402 /nfs/dbraw/zinc/38/04/02/561380402.db2.gz MWJOKNWUPYTSLO-QGZVFWFLSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc(NC(=O)CC[N@@H+]2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487971136 561380403 /nfs/dbraw/zinc/38/04/03/561380403.db2.gz MWJOKNWUPYTSLO-QGZVFWFLSA-N 1 1 364.446 2.204 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CCN(C)[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000487971136 561380404 /nfs/dbraw/zinc/38/04/04/561380404.db2.gz MWJOKNWUPYTSLO-QGZVFWFLSA-N 1 1 364.446 2.204 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000245660553 548969378 /nfs/dbraw/zinc/96/93/78/548969378.db2.gz PPFGVSPBNZFANO-DLBZAZTESA-N 1 1 368.393 2.095 20 5 FEBDMO COc1ccc(NC(=O)[C@H](C)N2CC[N@@H+](C)[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000488095707 561383457 /nfs/dbraw/zinc/38/34/57/561383457.db2.gz RSQVTSVLPJXBIN-GUYCJALGSA-N 1 1 364.446 2.202 20 5 FEBDMO NC(=O)c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)c([N+](=O)[O-])c1 ZINC000245853238 549004365 /nfs/dbraw/zinc/00/43/65/549004365.db2.gz JPQLPQDVVZFYBX-GJZGRUSLSA-N 1 1 365.455 2.180 20 5 FEBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000246229233 549084550 /nfs/dbraw/zinc/08/45/50/549084550.db2.gz FRMUDUOCDKNRQB-GDBMZVCRSA-N 1 1 357.414 2.046 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000246984412 549257606 /nfs/dbraw/zinc/25/76/06/549257606.db2.gz JWIMPPWDWPYEOE-JSGCOSHPSA-N 1 1 355.460 2.315 20 5 FEBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000247098037 549282605 /nfs/dbraw/zinc/28/26/05/549282605.db2.gz PWWAVRUBSSOGIY-BBRMVZONSA-N 1 1 353.444 2.008 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000247192947 549297350 /nfs/dbraw/zinc/29/73/50/549297350.db2.gz BMVSWHCTVYKWQN-JSGCOSHPSA-N 1 1 365.430 2.414 20 5 FEBDMO COc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000489320301 561408021 /nfs/dbraw/zinc/40/80/21/561408021.db2.gz CVVKTJNZCBQFRG-CQSZACIVSA-N 1 1 351.403 2.024 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccn(-c4cccc([N+](=O)[O-])c4)n3)CC[C@H]21 ZINC000248217515 549416896 /nfs/dbraw/zinc/41/68/96/549416896.db2.gz ZXIFFHZGVQKQKR-KBXCAEBGSA-N 1 1 369.425 2.337 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000248694571 549486416 /nfs/dbraw/zinc/48/64/16/549486416.db2.gz KKLIJYJPEJQYQQ-FZKQIMNGSA-N 1 1 369.425 2.212 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000248936202 549529222 /nfs/dbraw/zinc/52/92/22/549529222.db2.gz YIVKLQGCJJASKI-CZUORRHYSA-N 1 1 354.410 2.427 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000249006045 549538806 /nfs/dbraw/zinc/53/88/06/549538806.db2.gz JAWPYTGLTIEWOB-KGLIPLIRSA-N 1 1 355.460 2.172 20 5 FEBDMO COC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000249137286 549559511 /nfs/dbraw/zinc/55/95/11/549559511.db2.gz FCEMYFFFAJESJU-DYVFJYSZSA-N 1 1 360.414 2.231 20 5 FEBDMO COC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000249137286 549559516 /nfs/dbraw/zinc/55/95/16/549559516.db2.gz FCEMYFFFAJESJU-DYVFJYSZSA-N 1 1 360.414 2.231 20 5 FEBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000249172206 549564490 /nfs/dbraw/zinc/56/44/90/549564490.db2.gz LMMXWGGMJCWEMY-KGLIPLIRSA-N 1 1 355.460 2.135 20 5 FEBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000250639874 549644081 /nfs/dbraw/zinc/64/40/81/549644081.db2.gz SQVGWZRVZWRNSY-MJBXVCDLSA-N 1 1 362.430 2.016 20 5 FEBDMO COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](OC)C2)c([N+](=O)[O-])c1 ZINC000251683956 549651026 /nfs/dbraw/zinc/65/10/26/549651026.db2.gz JCWAGBWQBWIZIU-BLLLJJGKSA-N 1 1 351.403 2.289 20 5 FEBDMO O=C(c1cc(N[C@@H]2CCn3cc[nH+]c3C2)ccc1[N+](=O)[O-])N1CCCC1 ZINC000489924920 561422519 /nfs/dbraw/zinc/42/25/19/561422519.db2.gz NEELKRMAIPALGA-CQSZACIVSA-N 1 1 355.398 2.454 20 5 FEBDMO C[N@H+]1CC[C@]2(CCN(C(=O)NCc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000490242162 561429506 /nfs/dbraw/zinc/42/95/06/561429506.db2.gz GWCZJAFHPKGNED-INIZCTEOSA-N 1 1 352.822 2.485 20 5 FEBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1 ZINC000262375646 549815432 /nfs/dbraw/zinc/81/54/32/549815432.db2.gz XDTZWXSLQNMRGX-MRXNPFEDSA-N 1 1 365.386 2.069 20 5 FEBDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000268284430 550044887 /nfs/dbraw/zinc/04/48/87/550044887.db2.gz XFQRSONQXKLOKQ-ZDUSSCGKSA-N 1 1 355.460 2.388 20 5 FEBDMO Cc1nnc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268421280 550062980 /nfs/dbraw/zinc/06/29/80/550062980.db2.gz CPNCEZYDMNXJPZ-CYBMUJFWSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268421280 550062982 /nfs/dbraw/zinc/06/29/82/550062982.db2.gz CPNCEZYDMNXJPZ-CYBMUJFWSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n1 ZINC000268421280 550062985 /nfs/dbraw/zinc/06/29/85/550062985.db2.gz CPNCEZYDMNXJPZ-CYBMUJFWSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1nc([C@@H]2CCC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268421280 550062987 /nfs/dbraw/zinc/06/29/87/550062987.db2.gz CPNCEZYDMNXJPZ-CYBMUJFWSA-N 1 1 358.402 2.230 20 5 FEBDMO Cc1nc([C@@H]2CCC[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000268421280 550062988 /nfs/dbraw/zinc/06/29/88/550062988.db2.gz CPNCEZYDMNXJPZ-CYBMUJFWSA-N 1 1 358.402 2.230 20 5 FEBDMO COCCn1cc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000271212036 550353372 /nfs/dbraw/zinc/35/33/72/550353372.db2.gz UWIUYFQGUWCFAD-UHFFFAOYSA-N 1 1 360.414 2.481 20 5 FEBDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000272538934 550456653 /nfs/dbraw/zinc/45/66/53/550456653.db2.gz RONGCKMOZDWFHZ-CHWSQXEVSA-N 1 1 353.423 2.026 20 5 FEBDMO COCC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)c1ccco1 ZINC000273240665 550491188 /nfs/dbraw/zinc/49/11/88/550491188.db2.gz HIKNHKFPQPHQCI-HNNXBMFYSA-N 1 1 359.382 2.444 20 5 FEBDMO CCOc1cc(C[N@@H+](C)C[C@@H](O)COCCOC(C)C)ccc1[N+](=O)[O-] ZINC000276904004 550609472 /nfs/dbraw/zinc/60/94/72/550609472.db2.gz MBQVVENOUHWMQF-MRXNPFEDSA-N 1 1 370.446 2.228 20 5 FEBDMO C[C@H](CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[N@H+]1CCC[C@H](C)C1 ZINC000277605936 550690854 /nfs/dbraw/zinc/69/08/54/550690854.db2.gz AMGHIXGOECROGK-QWHCGFSZSA-N 1 1 374.445 2.391 20 5 FEBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000277638770 550695209 /nfs/dbraw/zinc/69/52/09/550695209.db2.gz CKHMYXAOOCUUQQ-NSHDSACASA-N 1 1 371.401 2.112 20 5 FEBDMO CC[NH+](CC)Cc1nc(Cc2cc(OC)cc(OC)c2[N+](=O)[O-])no1 ZINC000277955013 550732776 /nfs/dbraw/zinc/73/27/76/550732776.db2.gz FTVOOFKFLQOHSO-UHFFFAOYSA-N 1 1 350.375 2.428 20 5 FEBDMO C[C@H]1C[C@@H](N(C)C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@H+]1C ZINC000278142866 550753960 /nfs/dbraw/zinc/75/39/60/550753960.db2.gz AGZQNWZPWNHCHW-RYUDHWBXSA-N 1 1 360.418 2.095 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278272014 550767414 /nfs/dbraw/zinc/76/74/14/550767414.db2.gz IEGCKMHPNARMRX-UHFFFAOYSA-N 1 1 373.413 2.263 20 5 FEBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278510515 550793714 /nfs/dbraw/zinc/79/37/14/550793714.db2.gz YCOLBMPTHCBCME-HNNXBMFYSA-N 1 1 359.474 2.169 20 5 FEBDMO C[C@H]1C[N@@H+](CCCNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCCO1 ZINC000278519056 550794518 /nfs/dbraw/zinc/79/45/18/550794518.db2.gz MQVNBIUIDCVVGH-AWEZNQCLSA-N 1 1 372.425 2.374 20 5 FEBDMO COc1ccc(OCC[N@@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000279745550 550924372 /nfs/dbraw/zinc/92/43/72/550924372.db2.gz KXFZMTXXZCJJPD-IYOUNJFTSA-N 1 1 366.414 2.251 20 5 FEBDMO COc1ccc(OCC[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c([N+](=O)[O-])c1 ZINC000279745550 550924373 /nfs/dbraw/zinc/92/43/73/550924373.db2.gz KXFZMTXXZCJJPD-IYOUNJFTSA-N 1 1 366.414 2.251 20 5 FEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC2(CCOCC2)O1 ZINC000279831381 550933763 /nfs/dbraw/zinc/93/37/63/550933763.db2.gz RCIXVWLMEGPWOD-AWEZNQCLSA-N 1 1 363.414 2.193 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000280337144 550982393 /nfs/dbraw/zinc/98/23/93/550982393.db2.gz HNJCKNCIHNATEP-KDOFPFPSSA-N 1 1 363.414 2.112 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000280546988 551006208 /nfs/dbraw/zinc/00/62/08/551006208.db2.gz QCXDORJIOKNBJD-KRWDZBQOSA-N 1 1 370.409 2.390 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000280546988 551006209 /nfs/dbraw/zinc/00/62/09/551006209.db2.gz QCXDORJIOKNBJD-KRWDZBQOSA-N 1 1 370.409 2.390 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281214919 551074741 /nfs/dbraw/zinc/07/47/41/551074741.db2.gz SQXJDJOMDNMDCL-QFYYESIMSA-N 1 1 368.821 2.033 20 5 FEBDMO CNC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000281214919 551074742 /nfs/dbraw/zinc/07/47/42/551074742.db2.gz SQXJDJOMDNMDCL-QFYYESIMSA-N 1 1 368.821 2.033 20 5 FEBDMO Cn1nccc1[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281419613 551094997 /nfs/dbraw/zinc/09/49/97/551094997.db2.gz OQWKEJYXEGVUCF-YJBOKZPZSA-N 1 1 360.414 2.295 20 5 FEBDMO Cn1nccc1[C@@H]1CCCC[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000281419613 551094999 /nfs/dbraw/zinc/09/49/99/551094999.db2.gz OQWKEJYXEGVUCF-YJBOKZPZSA-N 1 1 360.414 2.295 20 5 FEBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@H+](C)CCCO ZINC000281956410 551162356 /nfs/dbraw/zinc/16/23/56/551162356.db2.gz UVRRXUWEBCWKGU-LLVKDONJSA-N 1 1 364.427 2.360 20 5 FEBDMO C[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[N@@H+](C)CCCO ZINC000281956410 551162358 /nfs/dbraw/zinc/16/23/58/551162358.db2.gz UVRRXUWEBCWKGU-LLVKDONJSA-N 1 1 364.427 2.360 20 5 FEBDMO CS(=O)(=O)c1cccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000497515057 561502850 /nfs/dbraw/zinc/50/28/50/561502850.db2.gz HWSFEJXRZIWHMK-CYBMUJFWSA-N 1 1 353.444 2.063 20 5 FEBDMO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000497921724 561511364 /nfs/dbraw/zinc/51/13/64/561511364.db2.gz PJQYKBNUKGZZDT-UHFFFAOYSA-N 1 1 351.451 2.261 20 5 FEBDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000285028705 551692943 /nfs/dbraw/zinc/69/29/43/551692943.db2.gz ZZNFLPWYBIAESJ-HNNXBMFYSA-N 1 1 363.414 2.342 20 5 FEBDMO COc1ccc(CNC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285167618 551714142 /nfs/dbraw/zinc/71/41/42/551714142.db2.gz AXSUKHCTKPMULZ-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO COc1ccc(CNC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000285167618 551714143 /nfs/dbraw/zinc/71/41/43/551714143.db2.gz AXSUKHCTKPMULZ-UHFFFAOYSA-N 1 1 357.410 2.394 20 5 FEBDMO CC[N@@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccccc1 ZINC000285343115 551741167 /nfs/dbraw/zinc/74/11/67/551741167.db2.gz MGACWGFEZWVYBT-RDJZCZTQSA-N 1 1 358.398 2.115 20 5 FEBDMO CC[N@H+]1CCO[C@@H](CNC(=O)c2ccc([N+](=O)[O-])[nH]2)[C@@H]1c1ccccc1 ZINC000285343115 551741168 /nfs/dbraw/zinc/74/11/68/551741168.db2.gz MGACWGFEZWVYBT-RDJZCZTQSA-N 1 1 358.398 2.115 20 5 FEBDMO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1c(F)cncc1F ZINC000285589987 551779454 /nfs/dbraw/zinc/77/94/54/551779454.db2.gz IPIBMFBTJAJQOG-PWSUYJOCSA-N 1 1 353.325 2.359 20 5 FEBDMO CC(C)[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCOCC1 ZINC000286099588 551848572 /nfs/dbraw/zinc/84/85/72/551848572.db2.gz KXQOBTOKFLAMIP-LBPRGKRZSA-N 1 1 351.432 2.368 20 5 FEBDMO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286255196 551866015 /nfs/dbraw/zinc/86/60/15/551866015.db2.gz PMHLHUXBFFOVKF-FUNVUKJBSA-N 1 1 351.378 2.196 20 5 FEBDMO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000286731435 551919999 /nfs/dbraw/zinc/91/99/99/551919999.db2.gz JYQAHYCGEBOZAQ-DOTOQJQBSA-N 1 1 369.425 2.445 20 5 FEBDMO COc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000287228562 551978706 /nfs/dbraw/zinc/97/87/06/551978706.db2.gz QJDFXYFTOKRQJR-YIONKMFJSA-N 1 1 362.430 2.370 20 5 FEBDMO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000287505303 552013085 /nfs/dbraw/zinc/01/30/85/552013085.db2.gz URHTVVNYIQBNPE-KRWDZBQOSA-N 1 1 360.458 2.404 20 5 FEBDMO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288864692 552227007 /nfs/dbraw/zinc/22/70/07/552227007.db2.gz LHQKZELLPZDGSY-SJORKVTESA-N 1 1 373.457 2.415 20 5 FEBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000500115679 561566225 /nfs/dbraw/zinc/56/62/25/561566225.db2.gz SJQWLOXBMKXWEH-CQSZACIVSA-N 1 1 355.460 2.446 20 5 FEBDMO C[C@H](O)CC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289530942 552335943 /nfs/dbraw/zinc/33/59/43/552335943.db2.gz BUNQSVDHQVVJSF-VIFPVBQESA-N 1 1 364.183 2.402 20 5 FEBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000289718099 552367540 /nfs/dbraw/zinc/36/75/40/552367540.db2.gz JMFRFFVWHWAABE-UHFFFAOYSA-N 1 1 355.414 2.081 20 5 FEBDMO CN(CCCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F)CC[NH+](C)C ZINC000289718099 552367541 /nfs/dbraw/zinc/36/75/41/552367541.db2.gz JMFRFFVWHWAABE-UHFFFAOYSA-N 1 1 355.414 2.081 20 5 FEBDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000290361661 552467019 /nfs/dbraw/zinc/46/70/19/552467019.db2.gz KEPPLJKBTVZKCD-LLVKDONJSA-N 1 1 370.837 2.423 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([N+](=O)[O-])cc1OC ZINC000290551345 552497202 /nfs/dbraw/zinc/49/72/02/552497202.db2.gz RUWHOPHOHLRBGG-CYBMUJFWSA-N 1 1 363.414 2.056 20 5 FEBDMO C[C@@H](NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1cccc([N+](=O)[O-])c1 ZINC000290890968 552556397 /nfs/dbraw/zinc/55/63/97/552556397.db2.gz DNNIDBIHUPYMBW-OAHLLOKOSA-N 1 1 365.478 2.181 20 5 FEBDMO C[C@@H](NC(=O)N(C)CCCN(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000290890968 552556399 /nfs/dbraw/zinc/55/63/99/552556399.db2.gz DNNIDBIHUPYMBW-OAHLLOKOSA-N 1 1 365.478 2.181 20 5 FEBDMO CC[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000291013063 552575945 /nfs/dbraw/zinc/57/59/45/552575945.db2.gz WNQJXLPSDMDSLV-HNNXBMFYSA-N 1 1 369.425 2.190 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000292919171 552771240 /nfs/dbraw/zinc/77/12/40/552771240.db2.gz XVOFRDJIECURNK-KRWDZBQOSA-N 1 1 367.471 2.318 20 5 FEBDMO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986290 552777585 /nfs/dbraw/zinc/77/75/85/552777585.db2.gz NNJWTRQRPXPLAL-GOSISDBHSA-N 1 1 364.421 2.480 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986290 552777586 /nfs/dbraw/zinc/77/75/86/552777586.db2.gz NNJWTRQRPXPLAL-GOSISDBHSA-N 1 1 364.421 2.480 20 5 FEBDMO CN1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986290 552777587 /nfs/dbraw/zinc/77/75/87/552777587.db2.gz NNJWTRQRPXPLAL-GOSISDBHSA-N 1 1 364.421 2.480 20 5 FEBDMO CN1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C2)C1 ZINC000292986290 552777588 /nfs/dbraw/zinc/77/75/88/552777588.db2.gz NNJWTRQRPXPLAL-GOSISDBHSA-N 1 1 364.421 2.480 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293069365 552785747 /nfs/dbraw/zinc/78/57/47/552785747.db2.gz IXOQOVZRMVMFRF-MRXNPFEDSA-N 1 1 360.458 2.227 20 5 FEBDMO C[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)CC[N@H+](C2CCC2)C1 ZINC000293727733 552850830 /nfs/dbraw/zinc/85/08/30/552850830.db2.gz QBLPWOLJZSVZDK-GFCCVEGCSA-N 1 1 361.398 2.270 20 5 FEBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3)C2)C1 ZINC000294130985 552884354 /nfs/dbraw/zinc/88/43/54/552884354.db2.gz MHVNCVBMAPFMKY-LJQANCHMSA-N 1 1 369.425 2.338 20 5 FEBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000501778865 561605302 /nfs/dbraw/zinc/60/53/02/561605302.db2.gz WPEISYRFHCLSHM-IAGOWNOFSA-N 1 1 370.453 2.351 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295276988 552980669 /nfs/dbraw/zinc/98/06/69/552980669.db2.gz KEKCSQJZGIFQBS-GFCCVEGCSA-N 1 1 369.849 2.474 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295276988 552980670 /nfs/dbraw/zinc/98/06/70/552980670.db2.gz KEKCSQJZGIFQBS-GFCCVEGCSA-N 1 1 369.849 2.474 20 5 FEBDMO CC(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1 ZINC000295357278 552993465 /nfs/dbraw/zinc/99/34/65/552993465.db2.gz VUUMBHZSZNTLTC-UHFFFAOYSA-N 1 1 352.410 2.356 20 5 FEBDMO COc1cc(C(=O)N(C)CCCn2cc[nH+]c2C)c([N+](=O)[O-])cc1F ZINC000295506149 553017676 /nfs/dbraw/zinc/01/76/76/553017676.db2.gz RBTNHEPFVJSCSY-UHFFFAOYSA-N 1 1 350.350 2.410 20 5 FEBDMO Cc1cc(Cl)c(C(=O)N(C)CCC[NH+]2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000295742003 553053129 /nfs/dbraw/zinc/05/31/29/553053129.db2.gz GJDUKFVLQQFSEN-UHFFFAOYSA-N 1 1 368.865 2.266 20 5 FEBDMO Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000298025666 553373080 /nfs/dbraw/zinc/37/30/80/553373080.db2.gz DVHRRTAMXQWYTQ-TZMCWYRMSA-N 1 1 362.430 2.078 20 5 FEBDMO CN(C(=O)C[NH+]1CCC(c2ccncn2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000298076201 553381136 /nfs/dbraw/zinc/38/11/36/553381136.db2.gz HGQRCEXVFAETIU-UHFFFAOYSA-N 1 1 355.398 2.227 20 5 FEBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000298284395 553408221 /nfs/dbraw/zinc/40/82/21/553408221.db2.gz XHWNQKYKBAHUNL-AWEZNQCLSA-N 1 1 362.430 2.141 20 5 FEBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000503452812 561641729 /nfs/dbraw/zinc/64/17/29/561641729.db2.gz IDUGWWWTAFKXAM-RHSMWYFYSA-N 1 1 369.487 2.272 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000299197271 553528996 /nfs/dbraw/zinc/52/89/96/553528996.db2.gz FHYHOFUSNHXTTB-AWEZNQCLSA-N 1 1 362.430 2.032 20 5 FEBDMO CC[N@@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301227245 553632821 /nfs/dbraw/zinc/63/28/21/553632821.db2.gz FMWJRIDFEGFHPY-JTQLQIEISA-N 1 1 363.386 2.487 20 5 FEBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301227245 553632824 /nfs/dbraw/zinc/63/28/24/553632824.db2.gz FMWJRIDFEGFHPY-JTQLQIEISA-N 1 1 363.386 2.487 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301237585 553634154 /nfs/dbraw/zinc/63/41/54/553634154.db2.gz IIADGFDZTTXKFJ-HNNXBMFYSA-N 1 1 369.425 2.234 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(N2CC[N@H+]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301237585 553634157 /nfs/dbraw/zinc/63/41/57/553634157.db2.gz IIADGFDZTTXKFJ-HNNXBMFYSA-N 1 1 369.425 2.234 20 5 FEBDMO Cn1ccnc1C(=O)c1ccc(NC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000301259088 553636909 /nfs/dbraw/zinc/63/69/09/553636909.db2.gz UPHYUHRJRWKIRN-CYBMUJFWSA-N 1 1 357.414 2.313 20 5 FEBDMO Cc1cc([N+](=O)[O-])cnc1N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000301303487 553640730 /nfs/dbraw/zinc/64/07/30/553640730.db2.gz WQZYWLYFGNNHMR-HNNXBMFYSA-N 1 1 356.430 2.316 20 5 FEBDMO CN(c1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000301345027 553644148 /nfs/dbraw/zinc/64/41/48/553644148.db2.gz JYGFLEHIDXDEEX-AWEZNQCLSA-N 1 1 357.414 2.090 20 5 FEBDMO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313362768 553757700 /nfs/dbraw/zinc/75/77/00/553757700.db2.gz YIQDUODPULAUPZ-MRXNPFEDSA-N 1 1 361.423 2.238 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000330720122 554162340 /nfs/dbraw/zinc/16/23/40/554162340.db2.gz WTTBCYVYJISHHM-UKRRQHHQSA-N 1 1 355.460 2.366 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000330720122 554162343 /nfs/dbraw/zinc/16/23/43/554162343.db2.gz WTTBCYVYJISHHM-UKRRQHHQSA-N 1 1 355.460 2.366 20 5 FEBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000330891743 554183998 /nfs/dbraw/zinc/18/39/98/554183998.db2.gz KHDKNCGYVLWAMA-LBPRGKRZSA-N 1 1 359.423 2.086 20 5 FEBDMO O=C(N1CCCC1)[C@@]1(O)CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000331363161 554250869 /nfs/dbraw/zinc/25/08/69/554250869.db2.gz AEBQXLDKCNTVMK-MTCRFPMVSA-N 1 1 359.426 2.057 20 5 FEBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000331824936 554326088 /nfs/dbraw/zinc/32/60/88/554326088.db2.gz WOOGGEIEKRWIJH-ZNMIVQPWSA-N 1 1 363.462 2.390 20 5 FEBDMO Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000332225118 554404315 /nfs/dbraw/zinc/40/43/15/554404315.db2.gz BOTOTGFWLHIZTD-KGLIPLIRSA-N 1 1 353.444 2.117 20 5 FEBDMO CCOC(=O)C1CCC(O)(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000332536423 554466512 /nfs/dbraw/zinc/46/65/12/554466512.db2.gz IUALRJFQJBORHX-UHFFFAOYSA-N 1 1 362.426 2.437 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCN(C(=O)Nc3cc(F)cc([N+](=O)[O-])c3)CC2)CCO1 ZINC000332564704 554472563 /nfs/dbraw/zinc/47/25/63/554472563.db2.gz WNXVQDRBCUETET-GFCCVEGCSA-N 1 1 366.393 2.451 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000510998710 561853526 /nfs/dbraw/zinc/85/35/26/561853526.db2.gz FLYMJUAYXXVGTD-AWEZNQCLSA-N 1 1 355.460 2.364 20 5 FEBDMO CNc1nc(-c2nc([C@@H]3C[N@H+]4CCC[C@@]4(C)CO3)no2)ccc1[N+](=O)[O-] ZINC000351124814 554838607 /nfs/dbraw/zinc/83/86/07/554838607.db2.gz QFFBLLPODDAQQA-LRDDRELGSA-N 1 1 360.374 2.007 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000362787821 554988428 /nfs/dbraw/zinc/98/84/28/554988428.db2.gz LCBLCUDWFQLBKC-DLBZAZTESA-N 1 1 374.441 2.132 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000362957283 555002963 /nfs/dbraw/zinc/00/29/63/555002963.db2.gz DSTQXPFLCCJCPG-SFHVURJKSA-N 1 1 362.474 2.205 20 5 FEBDMO O=C(c1cc(F)c(F)cc1[N+](=O)[O-])N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363118322 555033990 /nfs/dbraw/zinc/03/39/90/555033990.db2.gz WKSIVGKUUODFLQ-JVLSTEMRSA-N 1 1 351.353 2.429 20 5 FEBDMO O=C(c1ccco1)N1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363379978 555089844 /nfs/dbraw/zinc/08/98/44/555089844.db2.gz AIRFCNQPNZVKOE-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO O=C(c1ccco1)N1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363379978 555089845 /nfs/dbraw/zinc/08/98/45/555089845.db2.gz AIRFCNQPNZVKOE-UHFFFAOYSA-N 1 1 359.382 2.415 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000363424214 555102107 /nfs/dbraw/zinc/10/21/07/555102107.db2.gz PMQNMCSCHPMJJJ-MRRJBJDNSA-N 1 1 365.405 2.353 20 5 FEBDMO C[C@H]1[N@@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCC12CCOCC2 ZINC000363798783 555188556 /nfs/dbraw/zinc/18/85/56/555188556.db2.gz XXFAKZMEEWDXNE-CQSZACIVSA-N 1 1 359.426 2.375 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340109 555294448 /nfs/dbraw/zinc/29/44/48/555294448.db2.gz RKKGNFBGKROVCB-LSDHHAIUSA-N 1 1 352.387 2.146 20 5 FEBDMO CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000364340109 555294450 /nfs/dbraw/zinc/29/44/50/555294450.db2.gz RKKGNFBGKROVCB-LSDHHAIUSA-N 1 1 352.387 2.146 20 5 FEBDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000364427814 555312115 /nfs/dbraw/zinc/31/21/15/555312115.db2.gz SAVGPPMHWONYPW-IVMMDQJWSA-N 1 1 365.405 2.353 20 5 FEBDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000512479414 561906876 /nfs/dbraw/zinc/90/68/76/561906876.db2.gz GOGWCUPBBWBPOM-HOCLYGCPSA-N 1 1 361.442 2.499 20 5 FEBDMO O=C(c1sc(Br)cc1[N+](=O)[O-])N1CC[N@H+]2CCC[C@H]2C1 ZINC000365617747 555624408 /nfs/dbraw/zinc/62/44/08/555624408.db2.gz CXGFUJWXKSTXRC-QMMMGPOBSA-N 1 1 360.233 2.339 20 5 FEBDMO CN(C(=O)C[N@@H+]1CCC[C@@H](c2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365641866 555629265 /nfs/dbraw/zinc/62/92/65/555629265.db2.gz VUHRFRWSZPZJNC-CQSZACIVSA-N 1 1 357.414 2.171 20 5 FEBDMO CN(C(=O)C[N@H+]1CCC[C@@H](c2nccn2C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000365641866 555629268 /nfs/dbraw/zinc/62/92/68/555629268.db2.gz VUHRFRWSZPZJNC-CQSZACIVSA-N 1 1 357.414 2.171 20 5 FEBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000365772447 555664642 /nfs/dbraw/zinc/66/46/42/555664642.db2.gz AEIPNRLGYCECQG-ZUZCIYMTSA-N 1 1 355.797 2.482 20 5 FEBDMO C[N@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 ZINC000365776818 555665618 /nfs/dbraw/zinc/66/56/18/555665618.db2.gz DGCAQHISYMWSSM-DZGCQCFKSA-N 1 1 360.345 2.010 20 5 FEBDMO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3c(F)cccc3F)CC2)n1 ZINC000365818855 555674677 /nfs/dbraw/zinc/67/46/77/555674677.db2.gz HLLORVZBWQUSSQ-AWEZNQCLSA-N 1 1 352.341 2.440 20 5 FEBDMO C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000365866831 555687400 /nfs/dbraw/zinc/68/74/00/555687400.db2.gz YLAOKEODGHZFFW-GFCCVEGCSA-N 1 1 351.378 2.059 20 5 FEBDMO Cn1ccnc1[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000513696668 561947053 /nfs/dbraw/zinc/94/70/53/561947053.db2.gz BZICIUPEBKCWSP-DLBZAZTESA-N 1 1 360.414 2.203 20 5 FEBDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366578926 555881955 /nfs/dbraw/zinc/88/19/55/555881955.db2.gz QKFDSSAGIKXIGI-KSSFIOAISA-N 1 1 363.414 2.193 20 5 FEBDMO O=c1cc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)c2c(ccc3ccccc32)o1 ZINC000366763326 555928138 /nfs/dbraw/zinc/92/81/38/555928138.db2.gz ZDQSZFREDLRQTB-IAGOWNOFSA-N 1 1 364.401 2.036 20 5 FEBDMO C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000514317446 561965673 /nfs/dbraw/zinc/96/56/73/561965673.db2.gz PTYBQEHIFAUZPK-NVXWUHKLSA-N 1 1 374.393 2.106 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000366948088 555979123 /nfs/dbraw/zinc/97/91/23/555979123.db2.gz VKTFEWMWHLWCNH-SCLBCKFNSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000366948088 555979128 /nfs/dbraw/zinc/97/91/28/555979128.db2.gz VKTFEWMWHLWCNH-SCLBCKFNSA-N 1 1 363.414 2.433 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368056235 556205985 /nfs/dbraw/zinc/20/59/85/556205985.db2.gz REMNLICYNHRXOM-SCLBCKFNSA-N 1 1 365.430 2.271 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368056235 556205988 /nfs/dbraw/zinc/20/59/88/556205988.db2.gz REMNLICYNHRXOM-SCLBCKFNSA-N 1 1 365.430 2.271 20 5 FEBDMO C[NH+]1CCN(C[C@H]2CCCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000368683326 556384213 /nfs/dbraw/zinc/38/42/13/556384213.db2.gz DVBPNEPWILJCMK-OAHLLOKOSA-N 1 1 361.446 2.086 20 5 FEBDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000516188854 562035055 /nfs/dbraw/zinc/03/50/55/562035055.db2.gz WSYGIOLAHKKSQO-ZDUSSCGKSA-N 1 1 350.419 2.228 20 5 FEBDMO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000369818460 556703665 /nfs/dbraw/zinc/70/36/65/556703665.db2.gz HBCBTRYYMLDKGO-CRAIPNDOSA-N 1 1 371.441 2.450 20 5 FEBDMO Cn1cc([C@H]2[C@H](CNC(=O)c3ccc([N+](=O)[O-])s3)CCC[N@H+]2C)cn1 ZINC000369818891 556703785 /nfs/dbraw/zinc/70/37/85/556703785.db2.gz KBVKDVCICGGTGU-XHDPSFHLSA-N 1 1 363.443 2.203 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)[nH]n1 ZINC000370352409 556847738 /nfs/dbraw/zinc/84/77/38/556847738.db2.gz YSPKKLVLEFDESM-CABCVRRESA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352409 556847740 /nfs/dbraw/zinc/84/77/40/556847740.db2.gz YSPKKLVLEFDESM-CABCVRRESA-N 1 1 360.414 2.246 20 5 FEBDMO Cc1cc([C@@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)n[nH]1 ZINC000370352409 556847741 /nfs/dbraw/zinc/84/77/41/556847741.db2.gz YSPKKLVLEFDESM-CABCVRRESA-N 1 1 360.414 2.246 20 5 FEBDMO COc1ccnc(N2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000370585460 556915034 /nfs/dbraw/zinc/91/50/34/556915034.db2.gz WAZYCLSWHXAENY-UHFFFAOYSA-N 1 1 361.377 2.245 20 5 FEBDMO COc1ccnc(N2CCC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n1 ZINC000370585460 556915036 /nfs/dbraw/zinc/91/50/36/556915036.db2.gz WAZYCLSWHXAENY-UHFFFAOYSA-N 1 1 361.377 2.245 20 5 FEBDMO O=C1C[C@@H]([N@@H+]2CCCC3(CCOCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000516906468 562063891 /nfs/dbraw/zinc/06/38/91/562063891.db2.gz BZZROFVWINJFEP-MRXNPFEDSA-N 1 1 373.409 2.119 20 5 FEBDMO O=C1C[C@@H]([N@H+]2CCCC3(CCOCC3)C2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000516906468 562063892 /nfs/dbraw/zinc/06/38/92/562063892.db2.gz BZZROFVWINJFEP-MRXNPFEDSA-N 1 1 373.409 2.119 20 5 FEBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000370827260 556981134 /nfs/dbraw/zinc/98/11/34/556981134.db2.gz RIEQAXZKDWYYBR-TZMCWYRMSA-N 1 1 373.331 2.207 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000371784122 557292787 /nfs/dbraw/zinc/29/27/87/557292787.db2.gz PPTOWROCYBPFHC-LNLBINEFSA-N 1 1 359.426 2.368 20 5 FEBDMO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1C[N@H+]2CCCC[C@@H]2CO1 ZINC000371784122 557292791 /nfs/dbraw/zinc/29/27/91/557292791.db2.gz PPTOWROCYBPFHC-LNLBINEFSA-N 1 1 359.426 2.368 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000518349217 562109244 /nfs/dbraw/zinc/10/92/44/562109244.db2.gz CWHWIZLCJGSXLF-UHFFFAOYSA-N 1 1 372.429 2.018 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000519066523 562124395 /nfs/dbraw/zinc/12/43/95/562124395.db2.gz NDGPYMRESBWPFP-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000519066523 562124396 /nfs/dbraw/zinc/12/43/96/562124396.db2.gz NDGPYMRESBWPFP-CQSZACIVSA-N 1 1 353.444 2.198 20 5 FEBDMO C[N@@H+](C[C@H]1CC12CCN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)CC2)C1CC1 ZINC000372391902 557458264 /nfs/dbraw/zinc/45/82/64/557458264.db2.gz HERHHDUMUIMVGA-GFCCVEGCSA-N 1 1 360.414 2.032 20 5 FEBDMO O=C(c1ccoc1)N1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000372722836 557547410 /nfs/dbraw/zinc/54/74/10/557547410.db2.gz BCIKYPABPDBOAH-QGZVFWFLSA-N 1 1 359.382 2.069 20 5 FEBDMO O=C(c1ccoc1)N1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000372722836 557547412 /nfs/dbraw/zinc/54/74/12/557547412.db2.gz BCIKYPABPDBOAH-QGZVFWFLSA-N 1 1 359.382 2.069 20 5 FEBDMO O=C(Nc1ccccn1)[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000372722783 557547455 /nfs/dbraw/zinc/54/74/55/557547455.db2.gz BQLKSQDQTHJLMA-NVXWUHKLSA-N 1 1 370.409 2.374 20 5 FEBDMO C[N@H+]1CC[C@H](CNc2ccc3ncc([N+](=O)[O-])n3n2)[C@H]1c1cccs1 ZINC000372842252 557573439 /nfs/dbraw/zinc/57/34/39/557573439.db2.gz VWDNCDNHTGEVRW-BZNIZROVSA-N 1 1 358.427 2.804 20 5 FEBDMO C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000372925989 557589610 /nfs/dbraw/zinc/58/96/10/557589610.db2.gz CMRPXGYYGDHIFQ-YIKOMLBNSA-N 1 1 355.797 2.253 20 5 FEBDMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000372951325 557595107 /nfs/dbraw/zinc/59/51/07/557595107.db2.gz WGLZXLZKKJXXPE-HOTGVXAUSA-N 1 1 374.441 2.059 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CCN(C)C3=O)CC2)cccc1[N+](=O)[O-] ZINC000373173519 557643733 /nfs/dbraw/zinc/64/37/33/557643733.db2.gz OSMCDYROUQJVFQ-AWEZNQCLSA-N 1 1 374.441 2.175 20 5 FEBDMO C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000520224274 562151071 /nfs/dbraw/zinc/15/10/71/562151071.db2.gz XNHBVWRMBZABNQ-XJKCOSOUSA-N 1 1 365.405 2.448 20 5 FEBDMO O=C1O[C@@H](C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CN1c1ccccc1 ZINC000373586510 557723500 /nfs/dbraw/zinc/72/35/00/557723500.db2.gz SSYIBJMPESISCM-WBVHZDCISA-N 1 1 371.397 2.454 20 5 FEBDMO COc1ccc(NC(=O)C[NH2+][C@H](CO)c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000520640869 562160810 /nfs/dbraw/zinc/16/08/10/562160810.db2.gz OXIUFAHQNCOBKJ-OAHLLOKOSA-N 1 1 363.345 2.004 20 5 FEBDMO Cc1nn(C)c(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000374266795 557855291 /nfs/dbraw/zinc/85/52/91/557855291.db2.gz ZSBUENJYBOANIG-LJQANCHMSA-N 1 1 371.441 2.279 20 5 FEBDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000374598583 557904692 /nfs/dbraw/zinc/90/46/92/557904692.db2.gz XUAAWFFYIUYUDQ-QBIMZIAESA-N 1 1 360.414 2.244 20 5 FEBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000521180531 562171089 /nfs/dbraw/zinc/17/10/89/562171089.db2.gz HMCROVMITRXETH-CQSZACIVSA-N 1 1 357.414 2.005 20 5 FEBDMO C[N@H+]1CC[C@@H]2CCN(CC(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000375015804 557964409 /nfs/dbraw/zinc/96/44/09/557964409.db2.gz DRSFMHBTUPANFD-IAQYHMDHSA-N 1 1 352.822 2.213 20 5 FEBDMO COC(=O)c1ccccc1CC[N@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000375389383 558019502 /nfs/dbraw/zinc/01/95/02/558019502.db2.gz GKGKHUZZZQLMRK-OAHLLOKOSA-N 1 1 358.398 2.458 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@H](O)c3cc(F)ccc3F)C2)c1 ZINC000375406071 558021692 /nfs/dbraw/zinc/02/16/92/558021692.db2.gz UFDGJOBVDCISBF-WBMJQRKESA-N 1 1 352.341 2.440 20 5 FEBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H](O)c3cc(F)ccc3F)C2)c1 ZINC000375406071 558021693 /nfs/dbraw/zinc/02/16/93/558021693.db2.gz UFDGJOBVDCISBF-WBMJQRKESA-N 1 1 352.341 2.440 20 5 FEBDMO C[C@@H](CO)[N@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000375513654 558040996 /nfs/dbraw/zinc/04/09/96/558040996.db2.gz VOODZSFFLDGBHW-NSHDSACASA-N 1 1 356.810 2.169 20 5 FEBDMO NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000375598425 558054831 /nfs/dbraw/zinc/05/48/31/558054831.db2.gz NGNDAQNEBNHWJF-NOLJZWGESA-N 1 1 360.414 2.042 20 5 FEBDMO COCC[C@H]1CCCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000376376888 558165093 /nfs/dbraw/zinc/16/50/93/558165093.db2.gz QEJGUSMLHHXBIN-HZPDHXFCSA-N 1 1 352.431 2.473 20 5 FEBDMO O=[N+]([O-])c1cc2c(ncnc2N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000376450653 558174857 /nfs/dbraw/zinc/17/48/57/558174857.db2.gz SUVCDANCQUFUPJ-NWDGAFQWSA-N 1 1 363.443 2.025 20 5 FEBDMO O=[N+]([O-])c1cncc(Br)c1NCc1c[nH+]c2n1CCCC2 ZINC000376472277 558177674 /nfs/dbraw/zinc/17/76/74/558177674.db2.gz DAZHWZIHLHZYMZ-UHFFFAOYSA-N 1 1 352.192 2.319 20 5 FEBDMO COC(=O)c1cc(C)nc(N2CCC[C@@H](c3[nH+]ccn3C)C2)c1[N+](=O)[O-] ZINC000376486314 558179551 /nfs/dbraw/zinc/17/95/51/558179551.db2.gz RIKOJGNZEAIMGO-GFCCVEGCSA-N 1 1 359.386 2.202 20 5 FEBDMO O=C([C@H]1CCCc2[nH+]ccn21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000377781207 558418526 /nfs/dbraw/zinc/41/85/26/558418526.db2.gz ZIEARVQQYVRPKJ-MRXNPFEDSA-N 1 1 355.398 2.018 20 5 FEBDMO C[N@@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000408215794 558657410 /nfs/dbraw/zinc/65/74/10/558657410.db2.gz ALNWCKLHJURLEH-UHFFFAOYSA-N 1 1 353.444 2.234 20 5 FEBDMO C[N@H+]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000408215794 558657412 /nfs/dbraw/zinc/65/74/12/558657412.db2.gz ALNWCKLHJURLEH-UHFFFAOYSA-N 1 1 353.444 2.234 20 5 FEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000409457529 558693697 /nfs/dbraw/zinc/69/36/97/558693697.db2.gz TZGUGXDBBPPDRW-HOCLYGCPSA-N 1 1 357.414 2.133 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000525103986 562240654 /nfs/dbraw/zinc/24/06/54/562240654.db2.gz VUJCBVWOPVXTBC-RYUDHWBXSA-N 1 1 351.403 2.215 20 5 FEBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000525385596 562247083 /nfs/dbraw/zinc/24/70/83/562247083.db2.gz CJSBUOTVBNKJHG-KGLIPLIRSA-N 1 1 355.460 2.397 20 5 FEBDMO CC[N@H+]1C[C@@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000411424713 558892706 /nfs/dbraw/zinc/89/27/06/558892706.db2.gz LLTMVTUZTDKJTL-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000411424713 558892707 /nfs/dbraw/zinc/89/27/07/558892707.db2.gz LLTMVTUZTDKJTL-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000411424713 558892708 /nfs/dbraw/zinc/89/27/08/558892708.db2.gz LLTMVTUZTDKJTL-UONOGXRCSA-N 1 1 364.446 2.347 20 5 FEBDMO CC[N@H+]1C[C@H](C)N(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000411424706 558892845 /nfs/dbraw/zinc/89/28/45/558892845.db2.gz LLTMVTUZTDKJTL-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000411424706 558892847 /nfs/dbraw/zinc/89/28/47/558892847.db2.gz LLTMVTUZTDKJTL-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000411424706 558892849 /nfs/dbraw/zinc/89/28/49/558892849.db2.gz LLTMVTUZTDKJTL-KBPBESRZSA-N 1 1 364.446 2.347 20 5 FEBDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411728879 558951494 /nfs/dbraw/zinc/95/14/94/558951494.db2.gz VMOWANIWIAISSN-HNNXBMFYSA-N 1 1 362.430 2.304 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411844999 558975084 /nfs/dbraw/zinc/97/50/84/558975084.db2.gz KFABOPAPFNMQGY-QGZVFWFLSA-N 1 1 363.414 2.433 20 5 FEBDMO NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000411956130 558994553 /nfs/dbraw/zinc/99/45/53/558994553.db2.gz AWVSONFDDKPQKH-IBGZPJMESA-N 1 1 355.394 2.103 20 5 FEBDMO Cc1nnc([C@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000412024284 559003503 /nfs/dbraw/zinc/00/35/03/559003503.db2.gz BOVMWVAPFOUOOV-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@H]2CC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412024284 559003504 /nfs/dbraw/zinc/00/35/04/559003504.db2.gz BOVMWVAPFOUOOV-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1n[nH]c([C@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000412024284 559003506 /nfs/dbraw/zinc/00/35/06/559003506.db2.gz BOVMWVAPFOUOOV-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@H]2CC[N@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000412024284 559003508 /nfs/dbraw/zinc/00/35/08/559003508.db2.gz BOVMWVAPFOUOOV-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO Cc1nc([C@H]2CC[N@@H+](CCC(=O)Nc3cccc([N+](=O)[O-])c3C)C2)n[nH]1 ZINC000412024284 559003510 /nfs/dbraw/zinc/00/35/10/559003510.db2.gz BOVMWVAPFOUOOV-ZDUSSCGKSA-N 1 1 358.402 2.148 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1F ZINC000412133896 559016209 /nfs/dbraw/zinc/01/62/09/559016209.db2.gz ZGLKDYLSPQHUGA-CHWSQXEVSA-N 1 1 365.405 2.370 20 5 FEBDMO COc1ccc([N+](=O)[O-])c(CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1F ZINC000412361314 559030599 /nfs/dbraw/zinc/03/05/99/559030599.db2.gz KWFKZFUUFDQVFL-SFHVURJKSA-N 1 1 365.405 2.229 20 5 FEBDMO O=[N+]([O-])c1cnc(N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)c(F)c1 ZINC000413189635 559087180 /nfs/dbraw/zinc/08/71/80/559087180.db2.gz CHTHJZOOSLBUDC-RHSMWYFYSA-N 1 1 360.389 2.424 20 5 FEBDMO COc1ccc(-c2ccc(C[N@H+]3CC[C@H](O)[C@H](CO)C3)o2)c([N+](=O)[O-])c1 ZINC000414564154 559171944 /nfs/dbraw/zinc/17/19/44/559171944.db2.gz XHVHEBNDGLNIHA-SJCJKPOMSA-N 1 1 362.382 2.039 20 5 FEBDMO [NH3+]CC(F)(F)CNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000415691107 559262376 /nfs/dbraw/zinc/26/23/76/559262376.db2.gz FMXQJHKTKJRTEK-UHFFFAOYSA-N 1 1 353.123 2.073 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000417157953 559350428 /nfs/dbraw/zinc/35/04/28/559350428.db2.gz VLOVTKXKCUYTKE-STQMWFEESA-N 1 1 350.419 2.076 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000417157953 559350429 /nfs/dbraw/zinc/35/04/29/559350429.db2.gz VLOVTKXKCUYTKE-STQMWFEESA-N 1 1 350.419 2.076 20 5 FEBDMO Cc1cccc(N2CCC(Nc3c(C(N)=O)cccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000420596483 559493382 /nfs/dbraw/zinc/49/33/82/559493382.db2.gz HBHPKEQENSZSHN-UHFFFAOYSA-N 1 1 355.398 2.478 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420991856 559518133 /nfs/dbraw/zinc/51/81/33/559518133.db2.gz JUPNUUQYDFEUFK-AWEZNQCLSA-N 1 1 363.414 2.311 20 5 FEBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000421703085 559549805 /nfs/dbraw/zinc/54/98/05/559549805.db2.gz LLRZXSXYIJQALW-INIZCTEOSA-N 1 1 360.458 2.364 20 5 FEBDMO O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423730312 559637314 /nfs/dbraw/zinc/63/73/14/559637314.db2.gz WJPDQZIONOOLBM-LBPRGKRZSA-N 1 1 355.398 2.200 20 5 FEBDMO CCOc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000423964273 559648299 /nfs/dbraw/zinc/64/82/99/559648299.db2.gz GTZDDXUDVOEUJF-MRXNPFEDSA-N 1 1 356.382 2.175 20 5 FEBDMO [NH3+]C[C@H](CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)c1ccc(F)cc1 ZINC000424303966 559660992 /nfs/dbraw/zinc/66/09/92/559660992.db2.gz QCLKQBQGZGVCGG-GDBMZVCRSA-N 1 1 359.405 2.358 20 5 FEBDMO CCOc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1OC ZINC000425050714 559685176 /nfs/dbraw/zinc/68/51/76/559685176.db2.gz RSSFFCMMFWVFMU-SWLSCSKDSA-N 1 1 363.414 2.168 20 5 FEBDMO O=[N+]([O-])c1cnc2ccc(N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)nn21 ZINC000425277125 559694544 /nfs/dbraw/zinc/69/45/44/559694544.db2.gz QTMKPJAQZDVCGN-JKSUJKDBSA-N 1 1 364.409 2.348 20 5 FEBDMO C[C@H](O)C[N@H+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000425430182 559701950 /nfs/dbraw/zinc/70/19/50/559701950.db2.gz DMXMRRJYNUZCKL-NEPJUHHUSA-N 1 1 372.263 2.244 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504068 559706242 /nfs/dbraw/zinc/70/62/42/559706242.db2.gz UWFKMFYAPUYRNC-KBPBESRZSA-N 1 1 358.402 2.159 20 5 FEBDMO Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](n3ccnn3)C2)cccc1[N+](=O)[O-] ZINC000425504068 559706243 /nfs/dbraw/zinc/70/62/43/559706243.db2.gz UWFKMFYAPUYRNC-KBPBESRZSA-N 1 1 358.402 2.159 20 5 FEBDMO CCn1cc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000427359870 559754098 /nfs/dbraw/zinc/75/40/98/559754098.db2.gz XFRGNQSEIXSKPS-HNNXBMFYSA-N 1 1 357.414 2.158 20 5 FEBDMO CNc1c(C(=O)Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)cccc1[N+](=O)[O-] ZINC000428543314 559777651 /nfs/dbraw/zinc/77/76/51/559777651.db2.gz WEULAQKTHBGKDK-HNNXBMFYSA-N 1 1 370.409 2.455 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429541400 559800762 /nfs/dbraw/zinc/80/07/62/559800762.db2.gz OXLOKXYZRAWMIB-CYBMUJFWSA-N 1 1 362.430 2.160 20 5 FEBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429541400 559800763 /nfs/dbraw/zinc/80/07/63/559800763.db2.gz OXLOKXYZRAWMIB-CYBMUJFWSA-N 1 1 362.430 2.160 20 5 FEBDMO O=[N+]([O-])c1cnn(CC[N@@H+](CCc2ccccn2)Cc2cccnc2)c1 ZINC000430331963 559817980 /nfs/dbraw/zinc/81/79/80/559817980.db2.gz XMEDBVLFXLBYEY-UHFFFAOYSA-N 1 1 352.398 2.326 20 5 FEBDMO CC[NH+]1CCN([C@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000432339342 559856790 /nfs/dbraw/zinc/85/67/90/559856790.db2.gz YXZVXTIRQPGKCD-HNNXBMFYSA-N 1 1 355.442 2.359 20 5 FEBDMO COCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433193610 559873138 /nfs/dbraw/zinc/87/31/38/559873138.db2.gz RKZNZSUSUMBSCV-JKSUJKDBSA-N 1 1 370.471 2.179 20 5 FEBDMO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000440094465 560004625 /nfs/dbraw/zinc/00/46/25/560004625.db2.gz VRAFDVLMKJOUER-TZMCWYRMSA-N 1 1 355.460 2.302 20 5 FEBDMO O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000441204901 560026180 /nfs/dbraw/zinc/02/61/80/560026180.db2.gz UMVXPCMTPPGLKV-HZPDHXFCSA-N 1 1 359.426 2.232 20 5 FEBDMO O=C(C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000441229175 560026670 /nfs/dbraw/zinc/02/66/70/560026670.db2.gz OIVIPDFREYOVGM-JKSUJKDBSA-N 1 1 359.426 2.232 20 5 FEBDMO COC(=O)[C@H](O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000441266710 560027521 /nfs/dbraw/zinc/02/75/21/560027521.db2.gz URUYEATZAPJZPE-QGZVFWFLSA-N 1 1 366.414 2.128 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442764122 560056560 /nfs/dbraw/zinc/05/65/60/560056560.db2.gz FISIYRVSAFEUKR-NNQSOWQGSA-N 1 1 362.430 2.147 20 5 FEBDMO NS(=O)(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000443852002 560094608 /nfs/dbraw/zinc/09/46/08/560094608.db2.gz KGZBGFJSVWRZCF-GFCCVEGCSA-N 1 1 367.452 2.186 20 5 FEBDMO NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000443852002 560094609 /nfs/dbraw/zinc/09/46/09/560094609.db2.gz KGZBGFJSVWRZCF-GFCCVEGCSA-N 1 1 367.452 2.186 20 5 FEBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445191888 560130548 /nfs/dbraw/zinc/13/05/48/560130548.db2.gz YCEOWBWCAAKWLQ-SWLSCSKDSA-N 1 1 356.382 2.261 20 5 FEBDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000446110393 560140060 /nfs/dbraw/zinc/14/00/60/560140060.db2.gz ZZWMTLDKNLLONX-NSHDSACASA-N 1 1 370.247 2.452 20 5 FEBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCN[C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000447562573 560164567 /nfs/dbraw/zinc/16/45/67/560164567.db2.gz MIGMFZANJPNZBV-QAPCUYQASA-N 1 1 360.458 2.149 20 5 FEBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000447942687 560174131 /nfs/dbraw/zinc/17/41/31/560174131.db2.gz VFCHRNDNXYMKSL-OAHLLOKOSA-N 1 1 355.460 2.135 20 5 FEBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)CC[N@H+]1C ZINC000449931059 560245751 /nfs/dbraw/zinc/24/57/51/560245751.db2.gz XWALEBNSBCUYBF-HIFRSBDPSA-N 1 1 357.414 2.335 20 5 FEBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c(-n4ccnc4)c3)CC[C@@H]21 ZINC000450146944 560252177 /nfs/dbraw/zinc/25/21/77/560252177.db2.gz MJONSJUMEMHXSJ-HOTGVXAUSA-N 1 1 369.425 2.337 20 5 FEBDMO COc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000450148577 560252214 /nfs/dbraw/zinc/25/22/14/560252214.db2.gz PZNJHRRUWAWNOL-SMDDNHRTSA-N 1 1 351.378 2.299 20 5 FEBDMO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+](C2CC2)C1 ZINC000451093171 560286592 /nfs/dbraw/zinc/28/65/92/560286592.db2.gz NFQXIBXNBKUBRZ-KBXCAEBGSA-N 1 1 358.442 2.116 20 5 FEBDMO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[N@H+](C2CC2)C1 ZINC000451093175 560286607 /nfs/dbraw/zinc/28/66/07/560286607.db2.gz NFQXIBXNBKUBRZ-KSSFIOAISA-N 1 1 358.442 2.116 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](CO)[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000451250689 560295912 /nfs/dbraw/zinc/29/59/12/560295912.db2.gz DSJFBULNAIUBRE-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](CO)[C@@H]2CC)c([N+](=O)[O-])c1 ZINC000451250689 560295913 /nfs/dbraw/zinc/29/59/13/560295913.db2.gz DSJFBULNAIUBRE-DOMZBBRYSA-N 1 1 351.403 2.025 20 5 FEBDMO COC(=O)[C@@H](CC(C)C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451269956 560297338 /nfs/dbraw/zinc/29/73/38/560297338.db2.gz UALMFLZCWMAHFN-OAHLLOKOSA-N 1 1 351.403 2.443 20 5 FEBDMO COC(=O)[C@@H](CC(C)C)[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000451269956 560297339 /nfs/dbraw/zinc/29/73/39/560297339.db2.gz UALMFLZCWMAHFN-OAHLLOKOSA-N 1 1 351.403 2.443 20 5 FEBDMO O=C(C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000451414361 560305602 /nfs/dbraw/zinc/30/56/02/560305602.db2.gz IFHCCORKGVCBRO-KBAYOESNSA-N 1 1 359.426 2.109 20 5 FEBDMO CS(=O)(=O)N1CC[C@@H](C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451549676 560314197 /nfs/dbraw/zinc/31/41/97/560314197.db2.gz QBTIQQSGQLOMRH-HOCLYGCPSA-N 1 1 367.471 2.056 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000451694445 560322392 /nfs/dbraw/zinc/32/23/92/560322392.db2.gz KZMIHBVOUJUZFC-RDBSUJKOSA-N 1 1 363.414 2.025 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000451694445 560322393 /nfs/dbraw/zinc/32/23/93/560322393.db2.gz KZMIHBVOUJUZFC-RDBSUJKOSA-N 1 1 363.414 2.025 20 5 FEBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC000451720522 560324467 /nfs/dbraw/zinc/32/44/67/560324467.db2.gz NDWASWFRKWEFJO-HNNXBMFYSA-N 1 1 357.414 2.385 20 5 FEBDMO CC1(C)CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000451758282 560326995 /nfs/dbraw/zinc/32/69/95/560326995.db2.gz PTVSJVVCPQXOJC-DEOSSOPVSA-N 1 1 353.444 2.156 20 5 FEBDMO CC1(C)CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000451758282 560326996 /nfs/dbraw/zinc/32/69/96/560326996.db2.gz PTVSJVVCPQXOJC-DEOSSOPVSA-N 1 1 353.444 2.156 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CCCO)C1 ZINC000452115444 560352172 /nfs/dbraw/zinc/35/21/72/560352172.db2.gz BQPNZAGAOZRIPU-ZDUSSCGKSA-N 1 1 351.403 2.026 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000455474626 560483757 /nfs/dbraw/zinc/48/37/57/560483757.db2.gz VLOKTKFNUQIFKK-BETUJISGSA-N 1 1 350.419 2.076 20 5 FEBDMO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000455474626 560483758 /nfs/dbraw/zinc/48/37/58/560483758.db2.gz VLOKTKFNUQIFKK-BETUJISGSA-N 1 1 350.419 2.076 20 5 FEBDMO C[N@@H+](CCCCNC(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC000455604529 560488912 /nfs/dbraw/zinc/48/89/12/560488912.db2.gz GJDOFZJKNJJDKJ-UHFFFAOYSA-N 1 1 362.430 2.373 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456251464 560513289 /nfs/dbraw/zinc/51/32/89/560513289.db2.gz UBFXZYNSRVRKHL-HLLBOEOZSA-N 1 1 363.458 2.077 20 5 FEBDMO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456251464 560513290 /nfs/dbraw/zinc/51/32/90/560513290.db2.gz UBFXZYNSRVRKHL-HLLBOEOZSA-N 1 1 363.458 2.077 20 5 FEBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC000456379725 560518270 /nfs/dbraw/zinc/51/82/70/560518270.db2.gz NCLZYLKYDNRLOT-CQSZACIVSA-N 1 1 372.425 2.465 20 5 FEBDMO COc1cc(OCC(=O)N2CC[NH2+][C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000456981004 560542001 /nfs/dbraw/zinc/54/20/01/560542001.db2.gz DWQMRWVDHGKZKB-INIZCTEOSA-N 1 1 371.393 2.155 20 5 FEBDMO COc1ccc(CNC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000457929016 560594579 /nfs/dbraw/zinc/59/45/79/560594579.db2.gz MZOPOHZHEVXOON-CYBMUJFWSA-N 1 1 362.430 2.229 20 5 FEBDMO CC[C@@H](NC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000458524198 560629847 /nfs/dbraw/zinc/62/98/47/560629847.db2.gz WMVSJKRJTNXDTG-JKIFEVAISA-N 1 1 364.446 2.142 20 5 FEBDMO C[C@H](NC(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000458728035 560644113 /nfs/dbraw/zinc/64/41/13/560644113.db2.gz QJELZWLFSRVBTH-CABCVRRESA-N 1 1 364.446 2.456 20 5 FEBDMO C[N@H+]1CCC[C@H](CCNC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000459330116 560679959 /nfs/dbraw/zinc/67/99/59/560679959.db2.gz ZCNDEDWISLSBFE-CQSZACIVSA-N 1 1 362.430 2.231 20 5 FEBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](n2cccn2)C1 ZINC000463451835 560815209 /nfs/dbraw/zinc/81/52/09/560815209.db2.gz QOFYOPCRPHSCLB-AWEZNQCLSA-N 1 1 357.370 2.036 20 5 FEBDMO CN(C)c1[nH+]cc(CNC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1C ZINC000463825538 560825714 /nfs/dbraw/zinc/82/57/14/560825714.db2.gz VJNRVMXLCJMVBR-UHFFFAOYSA-N 1 1 371.319 2.343 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000467198465 560906301 /nfs/dbraw/zinc/90/63/01/560906301.db2.gz SUIRKAUDQXKQIV-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1 ZINC000467198465 560906302 /nfs/dbraw/zinc/90/63/02/560906302.db2.gz SUIRKAUDQXKQIV-OCCSQVGLSA-N 1 1 351.403 2.431 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1[N+](=O)[O-] ZINC000474345751 561071810 /nfs/dbraw/zinc/07/18/10/561071810.db2.gz ABQMBCYOZOEGSQ-CYBMUJFWSA-N 1 1 360.370 2.037 20 5 FEBDMO COC(=O)COc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000474345751 561071811 /nfs/dbraw/zinc/07/18/11/561071811.db2.gz ABQMBCYOZOEGSQ-CYBMUJFWSA-N 1 1 360.370 2.037 20 5 FEBDMO COC(=O)COc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000475722721 561103325 /nfs/dbraw/zinc/10/33/25/561103325.db2.gz STDDJWULRFRNRM-LSDHHAIUSA-N 1 1 364.398 2.005 20 5 FEBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@@H+]1Cc1ccccc1 ZINC000476647669 561125150 /nfs/dbraw/zinc/12/51/50/561125150.db2.gz JWSOHMGFAMBVAB-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])nn2C)CC[N@H+]1Cc1ccccc1 ZINC000476647669 561125151 /nfs/dbraw/zinc/12/51/51/561125151.db2.gz JWSOHMGFAMBVAB-HNNXBMFYSA-N 1 1 357.414 2.065 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCCCN1CC[NH+](C)CC1 ZINC000531014710 562432051 /nfs/dbraw/zinc/43/20/51/562432051.db2.gz GQCCIOKDWBXHBS-UHFFFAOYSA-N 1 1 363.462 2.361 20 5 FEBDMO CC[N@@H+](CCC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1)CC(C)C ZINC000536923662 562582750 /nfs/dbraw/zinc/58/27/50/562582750.db2.gz DADPSPGCISFCIN-UHFFFAOYSA-N 1 1 365.478 2.398 20 5 FEBDMO COC(=O)CC[N@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](C)C1 ZINC000537034826 562584397 /nfs/dbraw/zinc/58/43/97/562584397.db2.gz ANCGYDJHKGJGDQ-CYBMUJFWSA-N 1 1 358.398 2.217 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000541315764 562608713 /nfs/dbraw/zinc/60/87/13/562608713.db2.gz QGIKKHLQNBXISQ-ZDUSSCGKSA-N 1 1 350.419 2.133 20 5 FEBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000541942170 562623987 /nfs/dbraw/zinc/62/39/87/562623987.db2.gz SPXNOGUPCWLRBW-SNVBAGLBSA-N 1 1 355.341 2.410 20 5 FEBDMO C[N@@H+](CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000546063946 562633256 /nfs/dbraw/zinc/63/32/56/562633256.db2.gz UYHKKJOTXNSYKU-UHFFFAOYSA-N 1 1 355.460 2.279 20 5 FEBDMO CC(C)[N@@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cnc3N)sc2C1 ZINC000546156807 562634416 /nfs/dbraw/zinc/63/44/16/562634416.db2.gz FTCOXOURBOQJTL-UHFFFAOYSA-N 1 1 362.415 2.047 20 5 FEBDMO CC(C)[N@H+]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])cnc3N)sc2C1 ZINC000546156807 562634417 /nfs/dbraw/zinc/63/44/17/562634417.db2.gz FTCOXOURBOQJTL-UHFFFAOYSA-N 1 1 362.415 2.047 20 5 FEBDMO CC[N@@H+]1[C@H](C)CN(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602874819 568009996 /nfs/dbraw/zinc/00/99/96/568009996.db2.gz SDQIFQGTDCLQBQ-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1[C@H](C)C[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602874819 568009998 /nfs/dbraw/zinc/00/99/98/568009998.db2.gz SDQIFQGTDCLQBQ-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO CCN1[C@H](C)C[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C[C@@H]1C ZINC000602874819 568010001 /nfs/dbraw/zinc/01/00/01/568010001.db2.gz SDQIFQGTDCLQBQ-OKILXGFUSA-N 1 1 364.446 2.347 20 5 FEBDMO CC(C)[N@@H+]1C[C@H](NC(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC000568577185 568058612 /nfs/dbraw/zinc/05/86/12/568058612.db2.gz ZTBNFZULYFRILE-BBRMVZONSA-N 1 1 362.430 2.228 20 5 FEBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609489641 568507340 /nfs/dbraw/zinc/50/73/40/568507340.db2.gz XJGKJQHRFIEIHJ-MRXNPFEDSA-N 1 1 357.414 2.385 20 5 FEBDMO C[C@H]1C[C@H](Nc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC[N@H+]1C ZINC000820668335 599590036 /nfs/dbraw/zinc/59/00/36/599590036.db2.gz RRSRBDHPYDHNRV-WDEREUQCSA-N 1 1 368.401 2.218 20 5 FEBDMO C[NH+](C)Cc1cnc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)s1 ZINC000809581042 674499234 /nfs/dbraw/zinc/49/92/34/674499234.db2.gz SYRCGJNMCOXASS-LBPRGKRZSA-N 1 1 362.459 2.194 20 5 FEBDMO CC[N@@H+](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)C ZINC000809835037 674514699 /nfs/dbraw/zinc/51/46/99/674514699.db2.gz HGSPCLKIGHQAMU-UHFFFAOYSA-N 1 1 367.830 2.396 20 5 FEBDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000810495995 674546850 /nfs/dbraw/zinc/54/68/50/674546850.db2.gz MZADKRZIWZTGGK-NSHDSACASA-N 1 1 370.837 2.423 20 5 FEBDMO COc1cc(OCC(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000810846730 674564941 /nfs/dbraw/zinc/56/49/41/674564941.db2.gz IKIODMTWVOHYAI-JSGCOSHPSA-N 1 1 350.371 2.152 20 5 FEBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815010723 674895146 /nfs/dbraw/zinc/89/51/46/674895146.db2.gz XEPSYVYGMAFLMO-VIFPVBQESA-N 1 1 367.830 2.396 20 5 FEBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018744 674898477 /nfs/dbraw/zinc/89/84/77/674898477.db2.gz ZOGJVVJTPDRRPD-SECBINFHSA-N 1 1 365.814 2.102 20 5 FEBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815018744 674898479 /nfs/dbraw/zinc/89/84/79/674898479.db2.gz ZOGJVVJTPDRRPD-SECBINFHSA-N 1 1 365.814 2.102 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC2)cn1 ZINC000026597310 670072055 /nfs/dbraw/zinc/07/20/55/670072055.db2.gz USAUOKRYUXFQBC-INIZCTEOSA-N 1 1 362.817 2.499 20 5 FEBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000113301004 670883588 /nfs/dbraw/zinc/88/35/88/670883588.db2.gz XTXHQXMAXUMPIO-LBPRGKRZSA-N 1 1 359.423 2.277 20 5 FEBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(OC)c(OC)c([N+](=O)[O-])c2)C1 ZINC000574240262 671217503 /nfs/dbraw/zinc/21/75/03/671217503.db2.gz JOGFBFPOMDLWHY-GFCCVEGCSA-N 1 1 351.403 2.074 20 5 FEBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000609138467 675911683 /nfs/dbraw/zinc/91/16/83/675911683.db2.gz MCTHGUUDJLIORP-UHFFFAOYSA-N 1 1 373.450 2.475 20 5 FEBDMO C[C@]1(F)C[NH2+]CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000579472220 671738392 /nfs/dbraw/zinc/73/83/92/671738392.db2.gz ICOTXJLMMZSYDG-INIZCTEOSA-N 1 1 364.402 2.492 20 5 FEBDMO CC(C)C[NH+]1CCC(NC[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000579823844 671762908 /nfs/dbraw/zinc/76/29/08/671762908.db2.gz IVJOAJUUXJSMQL-INIZCTEOSA-N 1 1 351.447 2.045 20 5 FEBDMO C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1=O ZINC000610272750 675964128 /nfs/dbraw/zinc/96/41/28/675964128.db2.gz JKMNFDHCDYNIRO-CDMKHQONSA-N 1 1 355.341 2.295 20 5 FEBDMO CCc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000583810160 672128272 /nfs/dbraw/zinc/12/82/72/672128272.db2.gz YVDZBUHXPLTEDD-KRWDZBQOSA-N 1 1 367.471 2.264 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCS[C@H]3COCC[C@H]31)OCCO2 ZINC000611285307 676029808 /nfs/dbraw/zinc/02/98/08/676029808.db2.gz YALLMRUBKFUGEE-WBMJQRKESA-N 1 1 352.412 2.072 20 5 FEBDMO O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCS[C@H]3COCC[C@H]31)OCCO2 ZINC000611285307 676029813 /nfs/dbraw/zinc/02/98/13/676029813.db2.gz YALLMRUBKFUGEE-WBMJQRKESA-N 1 1 352.412 2.072 20 5 FEBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000612121389 676069683 /nfs/dbraw/zinc/06/96/83/676069683.db2.gz RPETZZPCIVEFIO-HZPDHXFCSA-N 1 1 350.415 2.226 20 5 FEBDMO COCC[N@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593100962 672876131 /nfs/dbraw/zinc/87/61/31/672876131.db2.gz MGNCTHVEMKOQMX-UHFFFAOYSA-N 1 1 351.447 2.406 20 5 FEBDMO COCCN1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593100962 672876136 /nfs/dbraw/zinc/87/61/36/672876136.db2.gz MGNCTHVEMKOQMX-UHFFFAOYSA-N 1 1 351.447 2.406 20 5 FEBDMO COCCN1CC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000593100962 672876140 /nfs/dbraw/zinc/87/61/40/672876140.db2.gz MGNCTHVEMKOQMX-UHFFFAOYSA-N 1 1 351.447 2.406 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCCC[C@@H]1CO ZINC000594016880 673021061 /nfs/dbraw/zinc/02/10/61/673021061.db2.gz LZXMTSCTMFPPPT-CQSZACIVSA-N 1 1 351.403 2.169 20 5 FEBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCCC[C@H]1CO ZINC000594017368 673021239 /nfs/dbraw/zinc/02/12/39/673021239.db2.gz XCLKJEBMWHUMSY-AWEZNQCLSA-N 1 1 351.403 2.169 20 5 FEBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000594476018 673082134 /nfs/dbraw/zinc/08/21/34/673082134.db2.gz XHDFEJYAFCZHCE-UHFFFAOYSA-N 1 1 355.460 2.231 20 5 FEBDMO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594485070 673089081 /nfs/dbraw/zinc/08/90/81/673089081.db2.gz VQNQBPULZLHRPK-RDJZCZTQSA-N 1 1 367.471 2.074 20 5 FEBDMO CN(CC[N@@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(N2CCOCC2)c1F ZINC000594573613 673099761 /nfs/dbraw/zinc/09/97/61/673099761.db2.gz ORVZUYRBKSUSOF-UHFFFAOYSA-N 1 1 352.410 2.101 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CCSC)C(=O)N(C)C ZINC000595046823 673189184 /nfs/dbraw/zinc/18/91/84/673189184.db2.gz BKPAGOVRKJEZSE-FZMZJTMJSA-N 1 1 355.460 2.464 20 5 FEBDMO COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000595465721 673254497 /nfs/dbraw/zinc/25/44/97/673254497.db2.gz HAKKJVJRVPWICO-CYBMUJFWSA-N 1 1 350.419 2.275 20 5 FEBDMO COc1cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595760100 673289907 /nfs/dbraw/zinc/28/99/07/673289907.db2.gz ZCFLFFPEQHMKPE-MEDUHNTESA-N 1 1 358.341 2.204 20 5 FEBDMO COc1cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c([N+](=O)[O-])cc1OCC(F)F ZINC000595760100 673289911 /nfs/dbraw/zinc/28/99/11/673289911.db2.gz ZCFLFFPEQHMKPE-MEDUHNTESA-N 1 1 358.341 2.204 20 5 FEBDMO CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[N@@H+](C)[C@H](C)CC ZINC000596107545 673359345 /nfs/dbraw/zinc/35/93/45/673359345.db2.gz YBRSXENBOVSPIW-CYBMUJFWSA-N 1 1 372.491 2.425 20 5 FEBDMO COC(=O)c1c(Cl)c(N[C@H]2CCC[N@@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000596250441 673371871 /nfs/dbraw/zinc/37/18/71/673371871.db2.gz PBVZEYPVWSPVFV-NSHDSACASA-N 1 1 371.821 2.294 20 5 FEBDMO COC(=O)c1cc(C)nc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000596306511 673375870 /nfs/dbraw/zinc/37/58/70/673375870.db2.gz FFTBJPCDVWZXCH-GFCCVEGCSA-N 1 1 350.419 2.617 20 5 FEBDMO NS(=O)(=O)c1c(N[C@H]2CC[N@H+](C3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000596477891 673388702 /nfs/dbraw/zinc/38/87/02/673388702.db2.gz LKFXEGMZFKWNRS-LBPRGKRZSA-N 1 1 368.459 2.061 20 5 FEBDMO O=[N+]([O-])c1cccc(Br)c1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000596537526 673392561 /nfs/dbraw/zinc/39/25/61/673392561.db2.gz HHCLKEKRVCSNEF-GFCCVEGCSA-N 1 1 370.247 2.393 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000537659011 673400098 /nfs/dbraw/zinc/40/00/98/673400098.db2.gz PKCFBQJAXMHTLJ-CQSZACIVSA-N 1 1 355.460 2.232 20 5 FEBDMO CNS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000537659011 673400099 /nfs/dbraw/zinc/40/00/99/673400099.db2.gz PKCFBQJAXMHTLJ-CQSZACIVSA-N 1 1 355.460 2.232 20 5 FEBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1N ZINC000597091661 673446122 /nfs/dbraw/zinc/44/61/22/673446122.db2.gz BOYHRRNXPIVKIJ-NSHDSACASA-N 1 1 371.825 2.063 20 5 FEBDMO COc1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000597859621 673513876 /nfs/dbraw/zinc/51/38/76/673513876.db2.gz WJULZPRWLFDKDF-NSHDSACASA-N 1 1 351.403 2.215 20 5 FEBDMO COCC1(C)CC[NH+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000540198672 673527543 /nfs/dbraw/zinc/52/75/43/673527543.db2.gz MQLANEBYOKSFQD-UHFFFAOYSA-N 1 1 351.403 2.290 20 5 FEBDMO COC(=O)c1ccnc(NCCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000598590579 673587299 /nfs/dbraw/zinc/58/72/99/673587299.db2.gz PAKVLBKAZOYWJM-ZDUSSCGKSA-N 1 1 350.419 2.843 20 5 FEBDMO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cc1 ZINC000598644562 673593725 /nfs/dbraw/zinc/59/37/25/673593725.db2.gz PZWUFNIHGQGWMF-KRWDZBQOSA-N 1 1 362.407 2.233 20 5 FEBDMO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000599106573 673633755 /nfs/dbraw/zinc/63/37/55/673633755.db2.gz WCUPLDCMFNMVRM-UHFFFAOYSA-N 1 1 360.336 2.310 20 5 FEBDMO CCOC(=O)C[NH+]1CCC(COC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000740554509 673648830 /nfs/dbraw/zinc/64/88/30/673648830.db2.gz WEDDPQSVJZRCPW-UHFFFAOYSA-N 1 1 350.371 2.027 20 5 FEBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000599414259 673672421 /nfs/dbraw/zinc/67/24/21/673672421.db2.gz CIQNCFHLVCAAPV-AWEZNQCLSA-N 1 1 355.460 2.222 20 5 FEBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000599675477 673704832 /nfs/dbraw/zinc/70/48/32/673704832.db2.gz PPSDJXMJWPHDMI-CHWSQXEVSA-N 1 1 351.403 2.025 20 5 FEBDMO CNS(=O)(=O)C[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000599691548 673707076 /nfs/dbraw/zinc/70/70/76/673707076.db2.gz PDXAROCXVJIZEB-UONOGXRCSA-N 1 1 355.460 2.225 20 5 FEBDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000544677139 673725551 /nfs/dbraw/zinc/72/55/51/673725551.db2.gz YYMHNXZDPVYUEG-CYBMUJFWSA-N 1 1 370.475 2.309 20 5 FEBDMO CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000545864229 673778533 /nfs/dbraw/zinc/77/85/33/673778533.db2.gz XNFLHJRDHHZNFG-QGZVFWFLSA-N 1 1 367.471 2.139 20 5 FEBDMO CCOc1cc(C(=O)NCC[N@H+]2CCC[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000744344802 673793940 /nfs/dbraw/zinc/79/39/40/673793940.db2.gz FWTGLKQAAGZHBT-LBPRGKRZSA-N 1 1 351.403 2.216 20 5 FEBDMO Cc1[nH]nc(C(=O)N(C)C2CC[NH+](CCC(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000600825995 673802046 /nfs/dbraw/zinc/80/20/46/673802046.db2.gz KYEBGMVFUXMHID-UHFFFAOYSA-N 1 1 363.340 2.115 20 5 FEBDMO CN(C)S(=O)(=O)[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601165390 673830154 /nfs/dbraw/zinc/83/01/54/673830154.db2.gz NRRYULUTFWZKKK-ZDUSSCGKSA-N 1 1 364.427 2.003 20 5 FEBDMO CCN(CC)C(=O)C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000601181183 673831346 /nfs/dbraw/zinc/83/13/46/673831346.db2.gz BYAIVXRGYILBPP-UHFFFAOYSA-N 1 1 369.853 2.388 20 5 FEBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000601376883 673851598 /nfs/dbraw/zinc/85/15/98/673851598.db2.gz VMLVGYJCNRIBSE-UHFFFAOYSA-N 1 1 370.406 2.258 20 5 FEBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000547735322 673884720 /nfs/dbraw/zinc/88/47/20/673884720.db2.gz JUERDVVWVNUPMR-LBPRGKRZSA-N 1 1 361.427 2.147 20 5 FEBDMO COC(=O)[C@@H](CC(C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602615079 673908694 /nfs/dbraw/zinc/90/86/94/673908694.db2.gz GQWGDBDEBUUQIW-OAHLLOKOSA-N 1 1 350.419 2.136 20 5 FEBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC000548933437 674007103 /nfs/dbraw/zinc/00/71/03/674007103.db2.gz VAHRXXHQYGKJBF-UHFFFAOYSA-N 1 1 364.427 2.004 20 5 FEBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)CCc1c(Cl)cccc1[N+](=O)[O-] ZINC000822931082 675517286 /nfs/dbraw/zinc/51/72/86/675517286.db2.gz KAHDUAYQDCABBR-QWHCGFSZSA-N 1 1 369.849 2.094 20 5 FEBDMO Cc1cc(Cl)c(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000825644195 675662170 /nfs/dbraw/zinc/66/21/70/675662170.db2.gz XRDAGTDIALJUQE-RYUDHWBXSA-N 1 1 353.806 2.150 20 5 FEBDMO COc1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc1SC ZINC000827318248 675747645 /nfs/dbraw/zinc/74/76/45/675747645.db2.gz FSRJJYVXJOZLIU-YPMHNXCESA-N 1 1 365.455 2.492 20 5 FEBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619251971 676368843 /nfs/dbraw/zinc/36/88/43/676368843.db2.gz DBLDETYJRMFCOW-CABCVRRESA-N 1 1 355.797 2.435 20 5 FEBDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000840228266 680808973 /nfs/dbraw/zinc/80/89/73/680808973.db2.gz OALQHIHBLLRJRH-CQSZACIVSA-N 1 1 350.371 2.204 20 5 FEBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000911846591 685271562 /nfs/dbraw/zinc/27/15/62/685271562.db2.gz SFMRMWMNMLLQCJ-UONOGXRCSA-N 1 1 367.833 2.477 20 5 FEBDMO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000749320532 680039923 /nfs/dbraw/zinc/03/99/23/680039923.db2.gz YGPAZWPSFDVIOU-CYBMUJFWSA-N 1 1 354.401 2.478 20 5 FEBDMO CN(c1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000749320532 680039929 /nfs/dbraw/zinc/03/99/29/680039929.db2.gz YGPAZWPSFDVIOU-CYBMUJFWSA-N 1 1 354.401 2.478 20 5 FEBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](C/C=C/c3ccc(Cl)cc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775996 680337234 /nfs/dbraw/zinc/33/72/34/680337234.db2.gz SXNBNQVREYUSAL-SOYMKJDTSA-N 1 1 361.829 2.065 20 5 FEBDMO O=C(N[C@@H]1[C@H]2C[N@H+](C/C=C/c3ccc(Cl)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775996 680337235 /nfs/dbraw/zinc/33/72/35/680337235.db2.gz SXNBNQVREYUSAL-SOYMKJDTSA-N 1 1 361.829 2.065 20 5 FEBDMO O=C(N[C@@H]1[C@H]2C[N@@H+](C/C=C/c3ccc(Cl)cc3)C[C@H]21)[C@@H]1CC1[N+](=O)[O-] ZINC001025775996 680337239 /nfs/dbraw/zinc/33/72/39/680337239.db2.gz SXNBNQVREYUSAL-SOYMKJDTSA-N 1 1 361.829 2.065 20 5 FEBDMO CC[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000754223283 680343927 /nfs/dbraw/zinc/34/39/27/680343927.db2.gz GEFSLOLTHKGJCK-JTQLQIEISA-N 1 1 350.375 2.286 20 5 FEBDMO CC[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)C[C@@H]1C ZINC000754223283 680343929 /nfs/dbraw/zinc/34/39/29/680343929.db2.gz GEFSLOLTHKGJCK-JTQLQIEISA-N 1 1 350.375 2.286 20 5 FEBDMO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(F)(F)CC1 ZINC001029304729 680387689 /nfs/dbraw/zinc/38/76/89/680387689.db2.gz HORINTVCOQQVQU-LXTVHRRPSA-N 1 1 357.401 2.152 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(F)(F)CC1 ZINC001029304729 680387692 /nfs/dbraw/zinc/38/76/92/680387692.db2.gz HORINTVCOQQVQU-LXTVHRRPSA-N 1 1 357.401 2.152 20 5 FEBDMO O=C([C@@H]1CC1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC(F)(F)CC1 ZINC001029304729 680387698 /nfs/dbraw/zinc/38/76/98/680387698.db2.gz HORINTVCOQQVQU-LXTVHRRPSA-N 1 1 357.401 2.152 20 5 FEBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754993746 680393128 /nfs/dbraw/zinc/39/31/28/680393128.db2.gz IJUCCWHZEVDCQB-UHFFFAOYSA-N 1 1 371.166 2.431 20 5 FEBDMO C[N@H+](Cc1ccncc1Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001029964536 680394233 /nfs/dbraw/zinc/39/42/33/680394233.db2.gz NWFZDMOCMMZUIP-GDBMZVCRSA-N 1 1 366.849 2.071 20 5 FEBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836202393 680434607 /nfs/dbraw/zinc/43/46/07/680434607.db2.gz JCVWAUYJCJRBJQ-LBPRGKRZSA-N 1 1 356.810 2.217 20 5 FEBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000836201068 680434711 /nfs/dbraw/zinc/43/47/11/680434711.db2.gz BMDFYCAUWDRSCY-GFCCVEGCSA-N 1 1 356.810 2.217 20 5 FEBDMO C[N@@H+](CCc1ccc(Cl)cc1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426275 680446916 /nfs/dbraw/zinc/44/69/16/680446916.db2.gz PEVOMPLQYSYJHH-IAGOWNOFSA-N 1 1 365.861 2.471 20 5 FEBDMO C[N@H+](CCc1ccc(Cl)cc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985426275 680446918 /nfs/dbraw/zinc/44/69/18/680446918.db2.gz PEVOMPLQYSYJHH-IAGOWNOFSA-N 1 1 365.861 2.471 20 5 FEBDMO C[N@@H+](CCc1ccc(Cl)cc1)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000985426275 680446920 /nfs/dbraw/zinc/44/69/20/680446920.db2.gz PEVOMPLQYSYJHH-IAGOWNOFSA-N 1 1 365.861 2.471 20 5 FEBDMO Cc1c(C(=O)N2CC[N@@H+](C)CC2(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000766623465 680883096 /nfs/dbraw/zinc/88/30/96/680883096.db2.gz RIGFVCAUWOVKOV-UHFFFAOYSA-N 1 1 350.375 2.286 20 5 FEBDMO Cc1c(C(=O)N2CC[N@H+](C)CC2(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC000766623465 680883097 /nfs/dbraw/zinc/88/30/97/680883097.db2.gz RIGFVCAUWOVKOV-UHFFFAOYSA-N 1 1 350.375 2.286 20 5 FEBDMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)[C@@H](C)C[N@H+]1CCO ZINC000842162768 680929598 /nfs/dbraw/zinc/92/95/98/680929598.db2.gz ICPJOXLEMSUSNT-NEPJUHHUSA-N 1 1 372.263 2.244 20 5 FEBDMO CC1(C)CCC[N@@H+](CCNC(=O)COc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000769706749 680992104 /nfs/dbraw/zinc/99/21/04/680992104.db2.gz DRKUBYNMSIMXIT-UHFFFAOYSA-N 1 1 353.394 2.351 20 5 FEBDMO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000843990485 681029695 /nfs/dbraw/zinc/02/96/95/681029695.db2.gz UHZABODSMQXBCM-ZDUSSCGKSA-N 1 1 350.375 2.368 20 5 FEBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000774909430 681249311 /nfs/dbraw/zinc/24/93/11/681249311.db2.gz MVWHZTKQQABICO-OAHLLOKOSA-N 1 1 351.359 2.273 20 5 FEBDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776591688 681412689 /nfs/dbraw/zinc/41/26/89/681412689.db2.gz FVHIDECTWPLNKJ-DOMZBBRYSA-N 1 1 353.419 2.473 20 5 FEBDMO C[N@H+]1C[C@@H]2CN(CC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)C[C@]2(C)C1 ZINC000933738161 681460016 /nfs/dbraw/zinc/46/00/16/681460016.db2.gz FPKLSIISRZZMKA-BZNIZROVSA-N 1 1 352.822 2.070 20 5 FEBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848582687 681582813 /nfs/dbraw/zinc/58/28/13/681582813.db2.gz PFEHYMFFXVZJQZ-LBPRGKRZSA-N 1 1 357.357 2.413 20 5 FEBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000848587268 681584310 /nfs/dbraw/zinc/58/43/10/681584310.db2.gz HILGGZJEHRFBPW-LBPRGKRZSA-N 1 1 357.357 2.367 20 5 FEBDMO Nc1c(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc(Cl)c(F)c1[N+](=O)[O-] ZINC000935690905 681802372 /nfs/dbraw/zinc/80/23/72/681802372.db2.gz YBCCUFFUFVDMLA-WDEREUQCSA-N 1 1 374.775 2.228 20 5 FEBDMO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000935690901 681802517 /nfs/dbraw/zinc/80/25/17/681802517.db2.gz XZKLXCCARVYLIO-ZBFHGGJFSA-N 1 1 353.369 2.311 20 5 FEBDMO C[C@H]1C[C@@H](NC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC[N@H+]1C ZINC000781651821 681957755 /nfs/dbraw/zinc/95/77/55/681957755.db2.gz YJQLQMVFHWMBGX-AAEUAGOBSA-N 1 1 350.375 2.035 20 5 FEBDMO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000851894695 682180001 /nfs/dbraw/zinc/18/00/01/682180001.db2.gz PDBFLPQZAZAXJT-CYBMUJFWSA-N 1 1 371.434 2.134 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000917909473 685535649 /nfs/dbraw/zinc/53/56/49/685535649.db2.gz UCYDCVWMIWITMA-WDEREUQCSA-N 1 1 359.835 2.153 20 5 FEBDMO O=[N+]([O-])c1cc(CN2CCN(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000787665165 682471570 /nfs/dbraw/zinc/47/15/70/682471570.db2.gz WAVUHLUTSGQTPB-UHFFFAOYSA-N 1 1 366.219 2.403 20 5 FEBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000788913353 682565334 /nfs/dbraw/zinc/56/53/34/682565334.db2.gz NWFFQQJOTFOANE-AAEUAGOBSA-N 1 1 373.450 2.441 20 5 FEBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000855161313 682634064 /nfs/dbraw/zinc/63/40/64/682634064.db2.gz NWZFCPYYASZIEK-SNVBAGLBSA-N 1 1 363.443 2.450 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c1F ZINC000928077518 683370447 /nfs/dbraw/zinc/37/04/47/683370447.db2.gz CFDBPCKQXZJWCQ-PWSUYJOCSA-N 1 1 371.409 2.491 20 5 FEBDMO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c1F ZINC000928077518 683370451 /nfs/dbraw/zinc/37/04/51/683370451.db2.gz CFDBPCKQXZJWCQ-PWSUYJOCSA-N 1 1 371.409 2.491 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000928081021 683373554 /nfs/dbraw/zinc/37/35/54/683373554.db2.gz OFNSSPHTMYNQPF-OCCSQVGLSA-N 1 1 369.418 2.052 20 5 FEBDMO COc1cc(C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c([N+](=O)[O-])cc1F ZINC000928081021 683373559 /nfs/dbraw/zinc/37/35/59/683373559.db2.gz OFNSSPHTMYNQPF-OCCSQVGLSA-N 1 1 369.418 2.052 20 5 FEBDMO CCOc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000928096049 683386545 /nfs/dbraw/zinc/38/65/45/683386545.db2.gz LJWGKWHTPAJYSU-DZGCQCFKSA-N 1 1 365.455 2.303 20 5 FEBDMO CCOc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)cc1[N+](=O)[O-] ZINC000928096049 683386552 /nfs/dbraw/zinc/38/65/52/683386552.db2.gz LJWGKWHTPAJYSU-DZGCQCFKSA-N 1 1 365.455 2.303 20 5 FEBDMO COc1ccc(CSCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000928451745 683453746 /nfs/dbraw/zinc/45/37/46/683453746.db2.gz GNQUZPOTAVYHEN-WCQYABFASA-N 1 1 353.444 2.045 20 5 FEBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CCOC3CCSCC3)CC2)cn1 ZINC000929171131 683556590 /nfs/dbraw/zinc/55/65/90/683556590.db2.gz GGJJSKPSDQUUGZ-UHFFFAOYSA-N 1 1 352.460 2.024 20 5 FEBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc3c2OCC3)cc1 ZINC000921990491 683632764 /nfs/dbraw/zinc/63/27/64/683632764.db2.gz OEMGRGGCSPFXJC-UHFFFAOYSA-N 1 1 362.407 2.093 20 5 FEBDMO O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000930158919 683687163 /nfs/dbraw/zinc/68/71/63/683687163.db2.gz ARJUQYNBMBFDFL-CABCVRRESA-N 1 1 368.821 2.311 20 5 FEBDMO O=[N+]([O-])c1cccnc1N1CC[NH+](CCOC2CCSCC2)CC1 ZINC000930680969 683769882 /nfs/dbraw/zinc/76/98/82/683769882.db2.gz RSORCGZXCYSNAQ-UHFFFAOYSA-N 1 1 352.460 2.024 20 5 FEBDMO COCC[N@H+]1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000930684199 683770464 /nfs/dbraw/zinc/77/04/64/683770464.db2.gz NEHKZZJCPYYEKI-UHFFFAOYSA-N 1 1 369.849 2.362 20 5 FEBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N1CC[NH+](C2CC2)CC1 ZINC000865029983 683925362 /nfs/dbraw/zinc/92/53/62/683925362.db2.gz NJWFMOQKINEDKS-UHFFFAOYSA-N 1 1 368.231 2.206 20 5 FEBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000923269454 684253132 /nfs/dbraw/zinc/25/31/32/684253132.db2.gz WWERIPHGGBPFII-VHSXEESVSA-N 1 1 369.219 2.061 20 5 FEBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)CC[C@H]21 ZINC000868391753 684489888 /nfs/dbraw/zinc/48/98/88/684489888.db2.gz NPQBSEUFYIRBQY-IAQYHMDHSA-N 1 1 352.822 2.484 20 5 FEBDMO CN(Cc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000925147017 684529204 /nfs/dbraw/zinc/52/92/04/684529204.db2.gz ZAMNLEQALXBOIP-GOEBONIOSA-N 1 1 364.471 2.316 20 5 FEBDMO O=c1c(Br)cn(Cc2[nH+]ccn2CC(F)F)cc1[N+](=O)[O-] ZINC000871658806 684841770 /nfs/dbraw/zinc/84/17/70/684841770.db2.gz RTFGPGDDUOJOMU-UHFFFAOYSA-N 1 1 363.118 2.029 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000876808515 686273990 /nfs/dbraw/zinc/27/39/90/686273990.db2.gz JSCRUCJZAAHUEB-UHFFFAOYSA-N 1 1 355.460 2.067 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000877484751 686387743 /nfs/dbraw/zinc/38/77/43/686387743.db2.gz GLWTXZVNUXGUQM-HNNXBMFYSA-N 1 1 367.471 2.212 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000877484751 686387750 /nfs/dbraw/zinc/38/77/50/686387750.db2.gz GLWTXZVNUXGUQM-HNNXBMFYSA-N 1 1 367.471 2.212 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000877484754 686388911 /nfs/dbraw/zinc/38/89/11/686388911.db2.gz GLWTXZVNUXGUQM-OAHLLOKOSA-N 1 1 367.471 2.212 20 5 FEBDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000877484754 686388920 /nfs/dbraw/zinc/38/89/20/686388920.db2.gz GLWTXZVNUXGUQM-OAHLLOKOSA-N 1 1 367.471 2.212 20 5 FEBDMO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879558768 686854755 /nfs/dbraw/zinc/85/47/55/686854755.db2.gz KWKGJDFFJFPFEX-NEPJUHHUSA-N 1 1 351.428 2.227 20 5 FEBDMO COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000879558768 686854771 /nfs/dbraw/zinc/85/47/71/686854771.db2.gz KWKGJDFFJFPFEX-NEPJUHHUSA-N 1 1 351.428 2.227 20 5 FEBDMO CC(C)[C@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000879601072 686867340 /nfs/dbraw/zinc/86/73/40/686867340.db2.gz KBQMATOAEQQXCD-OAHLLOKOSA-N 1 1 354.838 2.459 20 5 FEBDMO CCOc1cc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000880585403 687063373 /nfs/dbraw/zinc/06/33/73/687063373.db2.gz RHENCKFUIJBEJQ-HNNXBMFYSA-N 1 1 350.415 2.357 20 5 FEBDMO CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883294549 687600766 /nfs/dbraw/zinc/60/07/66/687600766.db2.gz BUKDGELZOYNESQ-VIFPVBQESA-N 1 1 365.249 2.270 20 5 FEBDMO O=C(CSc1ccccc1[N+](=O)[O-])NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885858079 688170581 /nfs/dbraw/zinc/17/05/81/688170581.db2.gz LBGJOCZOLUDFSD-CQSZACIVSA-N 1 1 365.455 2.056 20 5 FEBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000885872821 688174893 /nfs/dbraw/zinc/17/48/93/688174893.db2.gz KMRPECXMLLBQGN-LBPRGKRZSA-N 1 1 353.806 2.231 20 5 FEBDMO COc1c(O)ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000894407738 689525886 /nfs/dbraw/zinc/52/58/86/689525886.db2.gz BGCRYIYQYUINFN-WDEREUQCSA-N 1 1 364.320 2.302 20 5 FEBDMO COc1c(O)ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[N+](=O)[O-] ZINC000894407738 689525889 /nfs/dbraw/zinc/52/58/89/689525889.db2.gz BGCRYIYQYUINFN-WDEREUQCSA-N 1 1 364.320 2.302 20 5 FEBDMO Cc1c(Br)c(N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)ncc1[N+](=O)[O-] ZINC000895248256 689683870 /nfs/dbraw/zinc/68/38/70/689683870.db2.gz ZJGCVMMJMIWGSZ-CMPLNLGQSA-N 1 1 372.267 2.107 20 5 FEBDMO C[C@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@@H]1C[N@@H+](C)CCN1C ZINC000895248743 689684171 /nfs/dbraw/zinc/68/41/71/689684171.db2.gz MYPVXAYVPOJWBY-NHYWBVRUSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@@H+]1C ZINC000895248743 689684178 /nfs/dbraw/zinc/68/41/78/689684178.db2.gz MYPVXAYVPOJWBY-NHYWBVRUSA-N 1 1 363.849 2.265 20 5 FEBDMO C[C@H](Nc1c2cccc(Cl)c2ncc1[N+](=O)[O-])[C@@H]1CN(C)CC[N@H+]1C ZINC000895248743 689684181 /nfs/dbraw/zinc/68/41/81/689684181.db2.gz MYPVXAYVPOJWBY-NHYWBVRUSA-N 1 1 363.849 2.265 20 5 FEBDMO O=C1CCc2cc([N+](=O)[O-])c(N[C@H]3CCC[N@H+]4CCSC[C@H]34)cc2N1 ZINC000895573431 689737937 /nfs/dbraw/zinc/73/79/37/689737937.db2.gz YICMMIVYCCZHAV-BLLLJJGKSA-N 1 1 362.455 2.471 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)o2)cc1 ZINC000897618551 690050526 /nfs/dbraw/zinc/05/05/26/690050526.db2.gz DVSTXQOVTBFTPS-OKILXGFUSA-N 1 1 362.407 2.331 20 5 FEBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)o2)cc1 ZINC000897618551 690050529 /nfs/dbraw/zinc/05/05/29/690050529.db2.gz DVSTXQOVTBFTPS-OKILXGFUSA-N 1 1 362.407 2.331 20 5 FEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903956681 690989270 /nfs/dbraw/zinc/98/92/70/690989270.db2.gz MWMMZJVYLSUNKO-RYUDHWBXSA-N 1 1 356.373 2.146 20 5 FEBDMO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000903956681 690989273 /nfs/dbraw/zinc/98/92/73/690989273.db2.gz MWMMZJVYLSUNKO-RYUDHWBXSA-N 1 1 356.373 2.146 20 5 FEBDMO